NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28631 | 3msp | 4242 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 3HN ALA 1 -36.260 14.022 14.022 2 2H ALA 1 2HN ALA 1 -35.735 15.522 15.522 3 3H ALA 1 1HN ALA 1 -36.035 15.371 15.371 4 HA ALA 1 HA ALA 1 -38.303 15.145 15.145 5 1HB ALA 1 1HB ALA 1 -36.983 17.430 17.430 6 2HB ALA 1 3HB ALA 1 -37.843 17.258 17.258 7 3HB ALA 1 2HB ALA 1 -38.742 17.306 17.306 8 H GLN 2 HN GLN 2 -36.727 15.404 15.404 9 HA GLN 2 HA GLN 2 -39.034 14.003 14.003 10 1HB GLN 2 2HB GLN 2 -38.304 14.913 14.913 11 2HB GLN 2 1HB GLN 2 -38.583 16.194 16.194 12 1HG GLN 2 2HG GLN 2 -35.923 15.661 15.661 13 2HG GLN 2 1HG GLN 2 -36.143 15.420 15.420 14 1HE2 GLN 2 2HE2 GLN 2 -36.070 18.791 18.791 15 2HE2 GLN 2 1HE2 GLN 2 -35.815 17.156 17.156 16 H SER 3 HN SER 3 -38.186 12.851 12.851 17 HA SER 3 HA SER 3 -36.897 10.532 10.532 18 1HB SER 3 2HB SER 3 -36.893 9.897 9.897 19 2HB SER 3 1HB SER 3 -38.259 11.004 11.004 20 HG SER 3 HG SER 3 -37.030 11.554 11.554 21 H VAL 4 HN VAL 4 -34.805 9.694 9.694 22 HA VAL 4 HA VAL 4 -32.709 11.613 11.613 23 HB VAL 4 HB VAL 4 -31.344 10.702 10.702 24 1HG1 VAL 4 3HG1 VAL 4 -33.293 12.806 12.806 25 2HG1 VAL 4 2HG1 VAL 4 -33.157 12.209 12.209 26 3HG1 VAL 4 1HG1 VAL 4 -31.724 12.787 12.787 27 1HG2 VAL 4 3HG2 VAL 4 -33.378 8.985 8.985 28 2HG2 VAL 4 2HG2 VAL 4 -32.290 9.480 9.480 29 3HG2 VAL 4 1HG2 VAL 4 -33.863 10.258 10.258 30 HA PRO 5 HA PRO 5 -31.732 7.761 7.761 31 1HB PRO 5 2HB PRO 5 -29.781 8.865 8.865 32 2HB PRO 5 1HB PRO 5 -31.505 8.974 8.974 33 1HG PRO 5 2HG PRO 5 -29.720 10.987 10.987 34 2HG PRO 5 1HG PRO 5 -30.959 11.234 11.234 35 1HD PRO 5 2HD PRO 5 -31.423 11.779 11.779 36 2HD PRO 5 1HD PRO 5 -32.694 11.148 11.148 37 HA PRO 6 HA PRO 6 -28.116 6.354 6.354 38 1HB PRO 6 2HB PRO 6 -26.918 4.754 4.754 39 2HB PRO 6 1HB PRO 6 -28.414 4.309 4.309 40 1HG PRO 6 2HG PRO 6 -28.035 5.456 5.456 41 2HG PRO 6 1HG PRO 6 -29.114 4.151 4.151 42 1HD PRO 6 2HD PRO 6 -29.980 6.684 6.684 43 2HD PRO 6 1HD PRO 6 -30.698 5.617 5.617 44 H GLY 7 HN GLY 7 -26.897 8.229 8.229 45 1HA GLY 7 2HA GLY 7 -25.464 9.674 9.674 46 2HA GLY 7 1HA GLY 7 -24.976 9.482 9.482 47 H ASP 8 HN ASP 8 -23.694 9.396 9.396 48 HA ASP 8 HA ASP 8 -22.511 6.898 6.898 49 1HB ASP 8 2HB ASP 8 -21.306 9.598 9.598 50 2HB ASP 8 1HB ASP 8 -20.843 8.055 8.055 51 H ILE 9 HN ILE 9 -21.434 5.816 5.816 52 HA ILE 9 HA ILE 9 -20.042 7.049 7.049 53 HB ILE 9 HB ILE 9 -19.185 4.772 4.772 54 1HG1 ILE 9 2HG1 ILE 9 -20.875 3.377 3.377 55 2HG1 ILE 9 1HG1 ILE 9 -19.671 4.353 4.353 56 1HG2 ILE 9 3HG2 ILE 9 -22.104 5.251 5.251 57 2HG2 ILE 9 2HG2 ILE 9 -21.533 3.725 3.725 58 3HG2 ILE 9 1HG2 ILE 9 -21.201 5.241 5.241 59 1HD1 ILE 9 2HD1 ILE 9 -19.043 2.362 2.362 60 2HD1 ILE 9 1HD1 ILE 9 -18.951 2.033 2.033 61 3HD1 ILE 9 3HD1 ILE 9 -17.892 3.242 3.242 62 H ASN 10 HN ASN 10 -18.075 7.896 7.896 63 HA ASN 10 HA ASN 10 -16.393 7.971 7.971 64 1HB ASN 10 2HB ASN 10 -16.445 9.108 9.108 65 2HB ASN 10 1HB ASN 10 -14.828 8.489 8.489 66 1HD2 ASN 10 2HD2 ASN 10 -15.709 12.019 12.019 67 2HD2 ASN 10 1HD2 ASN 10 -16.357 11.217 11.217 68 H THR 11 HN THR 11 -14.458 6.929 6.929 69 HA THR 11 HA THR 11 -13.656 4.709 4.709 70 HB THR 11 HB THR 11 -13.349 3.512 3.512 71 HG1 THR 11 1HG THR 11 -14.429 5.258 5.258 72 1HG2 THR 11 2HG2 THR 11 -15.046 3.163 3.163 73 2HG2 THR 11 1HG2 THR 11 -16.066 3.062 3.062 74 3HG2 THR 11 3HG2 THR 11 -14.666 2.002 2.002 75 H GLN 12 HN GLN 12 -11.509 4.370 4.370 76 HA GLN 12 HA GLN 12 -9.779 5.586 5.586 77 1HB GLN 12 2HB GLN 12 -9.189 5.937 5.937 78 2HB GLN 12 1HB GLN 12 -8.440 6.749 6.749 79 1HG GLN 12 2HG GLN 12 -10.220 8.187 8.187 80 2HG GLN 12 1HG GLN 12 -11.350 7.124 7.124 81 1HE2 GLN 12 2HE2 GLN 12 -9.596 10.087 10.087 82 2HE2 GLN 12 1HE2 GLN 12 -9.623 9.914 9.914 83 HA PRO 13 HA PRO 13 -8.382 4.780 4.780 84 1HB PRO 13 2HB PRO 13 -8.670 2.519 2.519 85 2HB PRO 13 1HB PRO 13 -7.118 3.168 3.168 86 1HG PRO 13 2HG PRO 13 -8.748 0.943 0.943 87 2HG PRO 13 1HG PRO 13 -6.993 1.042 1.042 88 1HD PRO 13 2HD PRO 13 -8.103 1.436 1.436 89 2HD PRO 13 1HD PRO 13 -6.692 2.375 2.375 90 H SER 14 HN SER 14 -9.928 5.032 5.032 91 HA SER 14 HA SER 14 -12.646 4.507 4.507 92 1HB SER 14 2HB SER 14 -12.207 6.787 6.787 93 2HB SER 14 1HB SER 14 -11.540 6.286 6.286 94 HG SER 14 HG SER 14 -14.232 6.066 6.066 95 H GLN 15 HN GLN 15 -10.421 3.515 3.515 96 HA GLN 15 HA GLN 15 -11.966 1.289 1.289 97 1HB GLN 15 2HB GLN 15 -12.948 3.556 3.556 98 2HB GLN 15 1HB GLN 15 -11.827 2.978 2.978 99 1HG GLN 15 2HG GLN 15 -12.951 0.809 0.809 100 2HG GLN 15 1HG GLN 15 -14.077 1.393 1.393 101 1HE2 GLN 15 2HE2 GLN 15 -14.521 2.380 2.380 102 2HE2 GLN 15 1HE2 GLN 15 -13.121 1.549 1.549 103 H LYS 16 HN LYS 16 -9.394 1.450 1.450 104 HA LYS 16 HA LYS 16 -8.008 0.093 0.093 105 1HB LYS 16 2HB LYS 16 -7.909 2.941 2.941 106 2HB LYS 16 1HB LYS 16 -6.305 2.356 2.356 107 1HG LYS 16 2HG LYS 16 -6.228 0.936 0.936 108 2HG LYS 16 1HG LYS 16 -7.944 1.177 1.177 109 1HD LYS 16 2HD LYS 16 -6.860 3.741 3.741 110 2HD LYS 16 1HD LYS 16 -5.664 2.759 2.759 111 1HE LYS 16 2HE LYS 16 -8.605 2.914 2.914 112 2HE LYS 16 1HE LYS 16 -7.311 3.725 3.725 113 1HZ LYS 16 2HZ LYS 16 -6.672 1.009 1.009 114 2HZ LYS 16 1HZ LYS 16 -8.274 1.118 1.118 115 3HZ LYS 16 3HZ LYS 16 -7.044 1.901 1.901 116 H ILE 17 HN ILE 17 -7.106 -1.275 -1.275 117 HA ILE 17 HA ILE 17 -5.373 -0.144 -0.144 118 HB ILE 17 HB ILE 17 -7.467 -1.035 -1.035 119 1HG1 ILE 17 2HG1 ILE 17 -5.224 -2.868 -2.868 120 2HG1 ILE 17 1HG1 ILE 17 -5.082 -1.131 -1.131 121 1HG2 ILE 17 3HG2 ILE 17 -7.443 -2.934 -2.934 122 2HG2 ILE 17 2HG2 ILE 17 -6.603 -3.817 -3.817 123 3HG2 ILE 17 1HG2 ILE 17 -8.217 -3.168 -3.168 124 1HD1 ILE 17 1HD1 ILE 17 -7.191 -1.220 -1.220 125 2HD1 ILE 17 3HD1 ILE 17 -7.155 -2.976 -2.976 126 3HD1 ILE 17 2HD1 ILE 17 -5.862 -2.140 -2.140 127 H VAL 18 HN VAL 18 -3.334 -0.742 -0.742 128 HA VAL 18 HA VAL 18 -2.793 -3.232 -3.232 129 HB VAL 18 HB VAL 18 -0.955 -0.867 -0.867 130 1HG1 VAL 18 1HG1 VAL 18 -0.231 -3.416 -3.416 131 2HG1 VAL 18 3HG1 VAL 18 -0.496 -2.807 -2.807 132 3HG1 VAL 18 2HG1 VAL 18 0.653 -1.999 -1.999 133 1HG2 VAL 18 2HG2 VAL 18 -3.153 -0.789 -0.789 134 2HG2 VAL 18 1HG2 VAL 18 -1.652 0.021 0.021 135 3HG2 VAL 18 3HG2 VAL 18 -2.047 -1.551 -1.551 136 H PHE 19 HN PHE 19 -2.786 -4.684 -4.684 137 HA PHE 19 HA PHE 19 -1.626 -4.378 -4.378 138 1HB PHE 19 2HB PHE 19 -1.778 -6.903 -6.903 139 2HB PHE 19 1HB PHE 19 -1.502 -6.840 -6.840 140 HD1 PHE 19 2HD PHE 19 -3.485 -4.573 -4.573 141 HD2 PHE 19 1HD PHE 19 -3.773 -8.186 -8.186 142 HE1 PHE 19 2HE PHE 19 -5.914 -4.614 -4.614 143 HE2 PHE 19 1HE PHE 19 -6.203 -8.233 -8.233 144 HZ PHE 19 HZ PHE 19 -7.276 -6.445 -6.445 145 H ASN 20 HN ASN 20 0.339 -3.377 -3.377 146 HA ASN 20 HA ASN 20 2.503 -4.007 -4.007 147 1HB ASN 20 2HB ASN 20 2.258 -2.489 -2.489 148 2HB ASN 20 1HB ASN 20 3.836 -2.786 -2.786 149 1HD2 ASN 20 2HD2 ASN 20 1.641 0.253 0.253 150 2HD2 ASN 20 1HD2 ASN 20 1.386 -0.632 -0.632 151 H ALA 21 HN ALA 21 4.276 -5.278 -5.278 152 HA ALA 21 HA ALA 21 4.121 -7.699 -7.699 153 1HB ALA 21 1HB ALA 21 6.011 -6.329 -6.329 154 2HB ALA 21 3HB ALA 21 6.865 -6.853 -6.853 155 3HB ALA 21 2HB ALA 21 6.021 -8.034 -8.034 156 HA PRO 22 HA PRO 22 6.121 -8.933 -8.933 157 1HB PRO 22 2HB PRO 22 6.974 -10.521 -10.521 158 2HB PRO 22 1HB PRO 22 7.915 -9.100 -9.100 159 1HG PRO 22 2HG PRO 22 6.162 -9.511 -9.511 160 2HG PRO 22 1HG PRO 22 7.680 -8.608 -8.608 161 1HD PRO 22 2HD PRO 22 5.079 -7.531 -7.531 162 2HD PRO 22 1HD PRO 22 6.580 -6.694 -6.694 163 H TYR 23 HN TYR 23 5.458 -11.185 -11.185 164 HA TYR 23 HA TYR 23 2.781 -11.573 -11.573 165 1HB TYR 23 2HB TYR 23 4.000 -12.786 -12.786 166 2HB TYR 23 1HB TYR 23 2.390 -13.145 -13.145 167 HD1 TYR 23 2HD TYR 23 1.712 -10.290 -10.290 168 HD2 TYR 23 1HD TYR 23 3.364 -11.893 -11.893 169 HE1 TYR 23 2HE TYR 23 0.804 -8.388 -8.388 170 HE2 TYR 23 1HE TYR 23 2.461 -9.994 -9.994 171 HH TYR 23 HH TYR 23 1.709 -7.744 -7.744 172 H ASP 24 HN ASP 24 5.283 -12.147 -12.147 173 HA ASP 24 HA ASP 24 5.355 -15.070 -15.070 174 1HB ASP 24 2HB ASP 24 7.451 -13.553 -13.553 175 2HB ASP 24 1HB ASP 24 7.126 -13.273 -13.273 176 H ASP 25 HN ASP 25 3.490 -12.812 -12.812 177 HA ASP 25 HA ASP 25 2.747 -14.532 -14.532 178 1HB ASP 25 2HB ASP 25 4.816 -13.068 -13.068 179 2HB ASP 25 1HB ASP 25 3.580 -11.832 -11.832 180 H LYS 26 HN LYS 26 0.773 -13.915 -13.915 181 HA LYS 26 HA LYS 26 -1.095 -12.730 -12.730 182 1HB LYS 26 2HB LYS 26 -1.296 -12.769 -12.769 183 2HB LYS 26 1HB LYS 26 -2.615 -12.792 -12.792 184 1HG LYS 26 2HG LYS 26 -1.524 -15.015 -15.015 185 2HG LYS 26 1HG LYS 26 -0.757 -14.984 -14.984 186 1HD LYS 26 2HD LYS 26 -3.567 -14.378 -14.378 187 2HD LYS 26 1HD LYS 26 -3.319 -15.911 -15.911 188 1HE LYS 26 2HE LYS 26 -1.532 -16.000 -16.000 189 2HE LYS 26 1HE LYS 26 -2.968 -15.244 -15.244 190 1HZ LYS 26 1HZ LYS 26 -3.633 -17.484 -17.484 191 2HZ LYS 26 3HZ LYS 26 -2.568 -17.923 -17.923 192 3HZ LYS 26 2HZ LYS 26 -4.037 -17.174 -17.174 193 H HIS 27 HN HIS 27 -1.018 -10.717 -10.717 194 HA HIS 27 HA HIS 27 -0.203 -8.548 -8.548 195 1HB HIS 27 2HB HIS 27 0.858 -8.990 -8.990 196 2HB HIS 27 1HB HIS 27 -0.594 -8.201 -8.201 197 HD1 HIS 27 1HD HIS 27 -0.220 -6.360 -6.360 198 HD2 HIS 27 2HD HIS 27 2.071 -6.617 -6.617 199 HE1 HIS 27 1HE HIS 27 1.137 -4.229 -4.229 200 H THR 28 HN THR 28 -1.857 -7.618 -7.618 201 HA THR 28 HA THR 28 -4.465 -7.478 -7.478 202 HB THR 28 HB THR 28 -3.637 -6.732 -6.732 203 HG1 THR 28 1HG THR 28 -3.541 -9.004 -9.004 204 1HG2 THR 28 1HG2 THR 28 -6.351 -6.945 -6.945 205 2HG2 THR 28 3HG2 THR 28 -6.078 -6.954 -6.954 206 3HG2 THR 28 2HG2 THR 28 -5.628 -5.542 -5.542 207 H TYR 29 HN TYR 29 -4.806 -5.795 -5.795 208 HA TYR 29 HA TYR 29 -3.459 -3.265 -3.265 209 1HB TYR 29 2HB TYR 29 -5.301 -4.118 -4.118 210 2HB TYR 29 1HB TYR 29 -4.431 -2.589 -2.589 211 HD1 TYR 29 1HD TYR 29 -4.035 -6.246 -6.246 212 HD2 TYR 29 2HD TYR 29 -2.132 -2.452 -2.452 213 HE1 TYR 29 1HE TYR 29 -2.105 -7.303 -7.303 214 HE2 TYR 29 2HE TYR 29 -0.196 -3.498 -3.498 215 HH TYR 29 HH TYR 29 0.353 -6.794 -6.794 216 H HIS 30 HN HIS 30 -4.344 -1.684 -1.684 217 HA HIS 30 HA HIS 30 -7.058 -1.851 -1.851 218 1HB HIS 30 2HB HIS 30 -4.918 0.241 0.241 219 2HB HIS 30 1HB HIS 30 -6.508 0.307 0.307 220 HD1 HIS 30 1HD HIS 30 -3.232 -0.578 -0.578 221 HD2 HIS 30 2HD HIS 30 -6.925 -2.411 -2.411 222 HE1 HIS 30 1HE HIS 30 -2.953 -2.215 -2.215 223 H ILE 31 HN ILE 31 -8.808 -0.841 -0.841 224 HA ILE 31 HA ILE 31 -8.453 1.123 1.123 225 HB ILE 31 HB ILE 31 -10.916 -0.557 -0.557 226 1HG1 ILE 31 2HG1 ILE 31 -8.581 -1.097 -1.097 227 2HG1 ILE 31 1HG1 ILE 31 -9.024 -2.051 -2.051 228 1HG2 ILE 31 1HG2 ILE 31 -9.927 1.036 1.036 229 2HG2 ILE 31 3HG2 ILE 31 -11.389 0.049 0.049 230 3HG2 ILE 31 2HG2 ILE 31 -11.262 1.464 1.464 231 1HD1 ILE 31 3HD1 ILE 31 -11.011 -1.664 -1.664 232 2HD1 ILE 31 2HD1 ILE 31 -9.701 -2.828 -2.828 233 3HD1 ILE 31 1HD1 ILE 31 -10.833 -2.998 -2.998 234 H LYS 32 HN LYS 32 -9.893 2.920 2.920 235 HA LYS 32 HA LYS 32 -11.060 3.547 3.547 236 1HB LYS 32 2HB LYS 32 -9.809 5.333 5.333 237 2HB LYS 32 1HB LYS 32 -10.765 5.958 5.958 238 1HG LYS 32 2HG LYS 32 -8.579 6.146 6.146 239 2HG LYS 32 1HG LYS 32 -9.146 4.654 4.654 240 1HD LYS 32 2HD LYS 32 -7.817 3.328 3.328 241 2HD LYS 32 1HD LYS 32 -7.836 4.457 4.457 242 1HE LYS 32 2HE LYS 32 -6.087 5.667 5.667 243 2HE LYS 32 1HE LYS 32 -6.504 5.354 5.354 244 1HZ LYS 32 2HZ LYS 32 -5.254 3.402 3.402 245 2HZ LYS 32 1HZ LYS 32 -4.450 4.249 4.249 246 3HZ LYS 32 3HZ LYS 32 -5.640 3.114 3.114 247 H ILE 33 HN ILE 33 -13.181 3.687 3.687 248 HA ILE 33 HA ILE 33 -14.677 4.472 4.472 249 HB ILE 33 HB ILE 33 -15.616 2.479 2.479 250 1HG1 ILE 33 2HG1 ILE 33 -14.867 1.879 1.879 251 2HG1 ILE 33 1HG1 ILE 33 -13.706 1.745 1.745 252 1HG2 ILE 33 2HG2 ILE 33 -16.812 3.501 3.501 253 2HG2 ILE 33 1HG2 ILE 33 -17.374 2.040 2.040 254 3HG2 ILE 33 3HG2 ILE 33 -17.481 3.601 3.601 255 1HD1 ILE 33 3HD1 ILE 33 -16.082 0.352 0.352 256 2HD1 ILE 33 2HD1 ILE 33 -15.571 -0.165 -0.165 257 3HD1 ILE 33 1HD1 ILE 33 -14.453 -0.278 -0.278 258 H THR 34 HN THR 34 -16.584 5.701 5.701 259 HA THR 34 HA THR 34 -17.167 6.548 6.548 260 HB THR 34 HB THR 34 -16.240 8.457 8.457 261 HG1 THR 34 1HG THR 34 -14.556 7.606 7.606 262 1HG2 THR 34 2HG2 THR 34 -18.220 9.317 9.317 263 2HG2 THR 34 1HG2 THR 34 -17.198 9.247 9.247 264 3HG2 THR 34 3HG2 THR 34 -16.752 10.291 10.291 265 H ASN 35 HN ASN 35 -19.214 7.371 7.371 266 HA ASN 35 HA ASN 35 -21.074 6.831 6.831 267 1HB ASN 35 2HB ASN 35 -21.372 6.107 6.107 268 2HB ASN 35 1HB ASN 35 -21.840 7.780 7.780 269 1HD2 ASN 35 2HD2 ASN 35 -24.907 5.867 5.867 270 2HD2 ASN 35 1HD2 ASN 35 -23.633 5.883 5.883 271 H ALA 36 HN ALA 36 -21.280 8.443 8.443 272 HA ALA 36 HA ALA 36 -21.156 11.214 11.214 273 1HB ALA 36 2HB ALA 36 -19.971 10.319 10.319 274 2HB ALA 36 1HB ALA 36 -21.564 10.270 10.270 275 3HB ALA 36 3HB ALA 36 -20.902 11.805 11.805 276 H GLY 37 HN GLY 37 -23.482 9.306 9.306 277 1HA GLY 37 2HA GLY 37 -25.604 10.814 10.814 278 2HA GLY 37 1HA GLY 37 -25.798 9.228 9.228 279 H GLY 38 HN GLY 38 -27.725 10.487 10.487 280 1HA GLY 38 2HA GLY 38 -27.021 12.197 12.197 281 2HA GLY 38 1HA GLY 38 -28.630 11.983 11.983 282 H ARG 39 HN ARG 39 -28.311 9.035 9.035 283 HA ARG 39 HA ARG 39 -28.524 8.535 8.535 284 1HB ARG 39 2HB ARG 39 -30.115 6.997 6.997 285 2HB ARG 39 1HB ARG 39 -30.409 7.179 7.179 286 1HG ARG 39 2HG ARG 39 -30.504 9.759 9.759 287 2HG ARG 39 1HG ARG 39 -31.483 8.678 8.678 288 1HD ARG 39 2HD ARG 39 -32.014 8.098 8.098 289 2HD ARG 39 1HD ARG 39 -32.115 9.844 9.844 290 HE ARG 39 HE ARG 39 -33.520 8.437 8.437 291 1HH1 ARG 39 1HH2 ARG 39 -33.724 9.504 9.504 292 2HH1 ARG 39 2HH2 ARG 39 -35.454 9.570 9.570 293 1HH2 ARG 39 1HH1 ARG 39 -35.799 8.518 8.518 294 2HH2 ARG 39 2HH1 ARG 39 -36.635 9.009 9.009 295 H ARG 40 HN ARG 40 -28.572 5.981 5.981 296 HA ARG 40 HA ARG 40 -25.986 5.077 5.077 297 1HB ARG 40 2HB ARG 40 -26.743 2.909 2.909 298 2HB ARG 40 1HB ARG 40 -27.030 4.295 4.295 299 1HG ARG 40 2HG ARG 40 -29.381 4.166 4.166 300 2HG ARG 40 1HG ARG 40 -28.930 2.461 2.461 301 1HD ARG 40 2HD ARG 40 -30.106 2.720 2.720 302 2HD ARG 40 1HD ARG 40 -28.444 2.960 2.960 303 HE ARG 40 HE ARG 40 -29.374 5.465 5.465 304 1HH1 ARG 40 1HH2 ARG 40 -30.320 2.909 2.909 305 2HH1 ARG 40 2HH2 ARG 40 -31.004 3.982 3.982 306 1HH2 ARG 40 1HH1 ARG 40 -30.273 6.888 6.888 307 2HH2 ARG 40 2HH1 ARG 40 -30.978 6.245 6.245 308 H ILE 41 HN ILE 41 -25.656 2.825 2.825 309 HA ILE 41 HA ILE 41 -27.485 2.199 2.199 310 HB ILE 41 HB ILE 41 -25.744 2.332 2.332 311 1HG1 ILE 41 2HG1 ILE 41 -24.156 3.657 3.657 312 2HG1 ILE 41 1HG1 ILE 41 -23.738 2.191 2.191 313 1HG2 ILE 41 3HG2 ILE 41 -27.402 4.218 4.218 314 2HG2 ILE 41 2HG2 ILE 41 -25.953 5.059 5.059 315 3HG2 ILE 41 1HG2 ILE 41 -26.095 4.560 4.560 316 1HD1 ILE 41 3HD1 ILE 41 -23.962 4.910 4.910 317 2HD1 ILE 41 2HD1 ILE 41 -22.455 4.196 4.196 318 3HD1 ILE 41 1HD1 ILE 41 -23.346 3.433 3.433 319 H GLY 42 HN GLY 42 -27.426 0.091 0.091 320 1HA GLY 42 2HA GLY 42 -25.534 -1.612 -1.612 321 2HA GLY 42 1HA GLY 42 -26.999 -2.145 -2.145 322 H TRP 43 HN TRP 43 -23.663 -2.030 -2.030 323 HA TRP 43 HA TRP 43 -23.733 -2.475 -2.475 324 1HB TRP 43 2HB TRP 43 -21.385 -1.734 -1.734 325 2HB TRP 43 1HB TRP 43 -22.453 -0.486 -0.486 326 HD1 TRP 43 1HD TRP 43 -22.396 -0.152 -0.152 327 HE1 TRP 43 1HE TRP 43 -20.426 -0.426 -0.426 328 HE3 TRP 43 3HE TRP 43 -19.307 -2.987 -2.987 329 HZ2 TRP 43 2HZ TRP 43 -17.896 -1.679 -1.679 330 HZ3 TRP 43 3HZ TRP 43 -17.130 -3.681 -3.681 331 HH2 TRP 43 2HH TRP 43 -16.440 -3.039 -3.039 332 H ALA 44 HN ALA 44 -22.248 -4.009 -4.009 333 HA ALA 44 HA ALA 44 -21.093 -5.965 -5.965 334 1HB ALA 44 3HB ALA 44 -23.602 -6.403 -6.403 335 2HB ALA 44 2HB ALA 44 -22.482 -7.355 -7.355 336 3HB ALA 44 1HB ALA 44 -22.561 -7.600 -7.600 337 H ILE 45 HN ILE 45 -19.527 -7.330 -7.330 338 HA ILE 45 HA ILE 45 -18.571 -6.255 -6.255 339 HB ILE 45 HB ILE 45 -16.861 -7.568 -7.568 340 1HG1 ILE 45 2HG1 ILE 45 -17.923 -5.437 -5.437 341 2HG1 ILE 45 1HG1 ILE 45 -16.165 -5.380 -5.380 342 1HG2 ILE 45 2HG2 ILE 45 -16.198 -5.947 -5.947 343 2HG2 ILE 45 1HG2 ILE 45 -15.024 -6.512 -6.512 344 3HG2 ILE 45 3HG2 ILE 45 -15.934 -7.676 -7.676 345 1HD1 ILE 45 1HD1 ILE 45 -17.922 -4.335 -4.335 346 2HD1 ILE 45 3HD1 ILE 45 -17.392 -3.348 -3.348 347 3HD1 ILE 45 2HD1 ILE 45 -16.202 -4.041 -4.041 348 H LYS 46 HN LYS 46 -17.635 -7.683 -7.683 349 HA LYS 46 HA LYS 46 -17.851 -10.545 -10.545 350 1HB LYS 46 2HB LYS 46 -19.294 -9.182 -9.182 351 2HB LYS 46 1HB LYS 46 -19.150 -10.920 -10.920 352 1HG LYS 46 2HG LYS 46 -20.226 -10.251 -10.251 353 2HG LYS 46 1HG LYS 46 -20.897 -8.971 -8.971 354 1HD LYS 46 2HD LYS 46 -22.349 -10.381 -10.381 355 2HD LYS 46 1HD LYS 46 -21.063 -11.521 -11.521 356 1HE LYS 46 2HE LYS 46 -21.233 -12.596 -12.596 357 2HE LYS 46 1HE LYS 46 -22.239 -11.307 -11.307 358 1HZ LYS 46 2HZ LYS 46 -23.250 -12.714 -12.714 359 2HZ LYS 46 1HZ LYS 46 -23.243 -13.570 -13.570 360 3HZ LYS 46 3HZ LYS 46 -24.085 -12.107 -12.107 361 H THR 47 HN THR 47 -16.213 -11.611 -11.611 362 HA THR 47 HA THR 47 -14.694 -10.221 -10.221 363 HB THR 47 HB THR 47 -12.654 -11.164 -11.164 364 HG1 THR 47 1HG THR 47 -14.390 -12.490 -12.490 365 1HG2 THR 47 2HG2 THR 47 -14.295 -9.945 -9.945 366 2HG2 THR 47 1HG2 THR 47 -12.546 -10.169 -10.169 367 3HG2 THR 47 3HG2 THR 47 -13.271 -9.091 -9.091 368 H THR 48 HN THR 48 -13.622 -11.549 -11.549 369 HA THR 48 HA THR 48 -15.173 -13.522 -13.522 370 HB THR 48 HB THR 48 -12.893 -14.203 -14.203 371 HG1 THR 48 1HG THR 48 -12.134 -11.680 -11.680 372 1HG2 THR 48 1HG2 THR 48 -14.706 -12.088 -12.088 373 2HG2 THR 48 3HG2 THR 48 -13.070 -11.511 -11.511 374 3HG2 THR 48 2HG2 THR 48 -13.670 -12.958 -12.958 375 H ASN 49 HN ASN 49 -12.749 -13.785 -13.785 376 HA ASN 49 HA ASN 49 -13.451 -16.611 -16.611 377 1HB ASN 49 2HB ASN 49 -10.599 -15.619 -15.619 378 2HB ASN 49 1HB ASN 49 -11.152 -17.284 -17.284 379 1HD2 ASN 49 2HD2 ASN 49 -11.010 -15.493 -15.493 380 2HD2 ASN 49 1HD2 ASN 49 -11.122 -14.544 -14.544 381 H MET 50 HN MET 50 -14.198 -16.867 -16.867 382 HA MET 50 HA MET 50 -13.465 -14.969 -14.969 383 1HB MET 50 2HB MET 50 -15.642 -16.965 -16.965 384 2HB MET 50 1HB MET 50 -15.196 -16.544 -16.544 385 1HG MET 50 2HG MET 50 -15.604 -14.275 -14.275 386 2HG MET 50 1HG MET 50 -17.037 -15.230 -15.230 387 1HE MET 50 3HE MET 50 -14.794 -12.487 -12.487 388 2HE MET 50 2HE MET 50 -14.877 -12.260 -12.260 389 3HE MET 50 1HE MET 50 -13.887 -13.555 -13.555 390 H ARG 51 HN ARG 51 -11.738 -17.303 -17.303 391 HA ARG 51 HA ARG 51 -11.261 -18.625 -18.625 392 1HB ARG 51 2HB ARG 51 -10.049 -19.573 -19.573 393 2HB ARG 51 1HB ARG 51 -10.442 -20.490 -20.490 394 1HG ARG 51 2HG ARG 51 -12.407 -19.392 -19.392 395 2HG ARG 51 1HG ARG 51 -11.927 -21.080 -21.080 396 1HD ARG 51 2HD ARG 51 -12.843 -21.080 -21.080 397 2HD ARG 51 1HD ARG 51 -13.345 -19.402 -19.402 398 HE ARG 51 HE ARG 51 -14.476 -20.835 -20.835 399 1HH1 ARG 51 1HH2 ARG 51 -14.630 -20.800 -20.800 400 2HH1 ARG 51 2HH2 ARG 51 -16.266 -21.365 -21.365 401 1HH2 ARG 51 1HH1 ARG 51 -16.629 -21.583 -21.583 402 2HH2 ARG 51 2HH1 ARG 51 -17.404 -21.811 -21.811 403 H ARG 52 HN ARG 52 -9.556 -17.223 -17.223 404 HA ARG 52 HA ARG 52 -7.037 -17.163 -17.163 405 1HB ARG 52 2HB ARG 52 -8.029 -16.059 -16.059 406 2HB ARG 52 1HB ARG 52 -6.428 -15.661 -15.661 407 1HG ARG 52 2HG ARG 52 -7.279 -18.515 -18.515 408 2HG ARG 52 1HG ARG 52 -6.721 -17.634 -17.634 409 1HD ARG 52 2HD ARG 52 -4.670 -18.260 -18.260 410 2HD ARG 52 1HD ARG 52 -4.818 -17.001 -17.001 411 HE ARG 52 HE ARG 52 -5.945 -19.185 -19.185 412 1HH1 ARG 52 1HH2 ARG 52 -2.873 -18.545 -18.545 413 2HH1 ARG 52 2HH2 ARG 52 -2.007 -19.679 -19.679 414 1HH2 ARG 52 1HH1 ARG 52 -4.817 -20.681 -20.681 415 2HH2 ARG 52 2HH1 ARG 52 -3.113 -20.894 -20.894 416 H LEU 53 HN LEU 53 -9.373 -14.675 -14.675 417 HA LEU 53 HA LEU 53 -7.968 -12.661 -12.661 418 1HB LEU 53 2HB LEU 53 -10.557 -12.353 -12.353 419 2HB LEU 53 1HB LEU 53 -9.481 -11.078 -11.078 420 HG LEU 53 HG LEU 53 -8.308 -13.061 -13.061 421 1HD1 LEU 53 3HD1 LEU 53 -10.788 -12.285 -12.285 422 2HD1 LEU 53 2HD1 LEU 53 -9.860 -10.932 -10.932 423 3HD1 LEU 53 1HD1 LEU 53 -9.504 -12.577 -12.577 424 1HD2 LEU 53 2HD2 LEU 53 -7.856 -10.369 -10.369 425 2HD2 LEU 53 1HD2 LEU 53 -6.777 -11.452 -11.452 426 3HD2 LEU 53 3HD2 LEU 53 -7.910 -10.429 -10.429 427 H SER 54 HN SER 54 -8.858 -11.515 -11.515 428 HA SER 54 HA SER 54 -11.316 -12.594 -12.594 429 1HB SER 54 2HB SER 54 -10.167 -12.471 -12.471 430 2HB SER 54 1HB SER 54 -9.631 -13.776 -13.776 431 HG SER 54 HG SER 54 -7.770 -12.702 -12.702 432 H VAL 55 HN VAL 55 -12.621 -10.881 -10.881 433 HA VAL 55 HA VAL 55 -11.547 -8.254 -8.254 434 HB VAL 55 HB VAL 55 -13.888 -7.531 -7.531 435 1HG1 VAL 55 3HG1 VAL 55 -11.631 -7.013 -7.013 436 2HG1 VAL 55 2HG1 VAL 55 -11.784 -8.457 -8.457 437 3HG1 VAL 55 1HG1 VAL 55 -12.920 -7.122 -7.122 438 1HG2 VAL 55 3HG2 VAL 55 -14.395 -10.102 -10.102 439 2HG2 VAL 55 2HG2 VAL 55 -15.011 -8.927 -8.927 440 3HG2 VAL 55 1HG2 VAL 55 -13.573 -9.874 -9.874 441 H ASP 56 HN ASP 56 -11.945 -7.590 -7.590 442 HA ASP 56 HA ASP 56 -14.544 -8.164 -8.164 443 1HB ASP 56 2HB ASP 56 -12.059 -8.506 -8.506 444 2HB ASP 56 1HB ASP 56 -13.691 -9.077 -9.077 445 HA PRO 57 HA PRO 57 -15.742 -7.578 -7.578 446 1HB PRO 57 2HB PRO 57 -17.674 -5.707 -5.707 447 2HB PRO 57 1HB PRO 57 -16.538 -6.025 -6.025 448 1HG PRO 57 2HG PRO 57 -16.489 -3.850 -3.850 449 2HG PRO 57 1HG PRO 57 -16.189 -3.744 -3.744 450 1HD PRO 57 2HD PRO 57 -14.191 -3.839 -3.839 451 2HD PRO 57 1HD PRO 57 -14.024 -4.498 -4.498 452 HA PRO 58 HA PRO 58 -16.980 -7.832 -7.832 453 1HB PRO 58 2HB PRO 58 -18.949 -9.705 -9.705 454 2HB PRO 58 1HB PRO 58 -17.228 -10.093 -10.093 455 1HG PRO 58 2HG PRO 58 -18.988 -9.791 -9.791 456 2HG PRO 58 1HG PRO 58 -17.736 -11.004 -11.004 457 1HD PRO 58 2HD PRO 58 -17.289 -8.896 -8.896 458 2HD PRO 58 1HD PRO 58 -16.016 -9.568 -9.568 459 H CYS 59 HN CYS 59 -19.505 -7.773 -7.773 460 HA CYS 59 HA CYS 59 -20.952 -5.788 -5.788 461 1HB CYS 59 2HB CYS 59 -23.075 -6.845 -6.845 462 2HB CYS 59 1HB CYS 59 -22.010 -8.022 -8.022 463 HG CYS 59 HG CYS 59 -23.398 -8.587 -8.587 464 H GLY 60 HN GLY 60 -22.163 -4.270 -4.270 465 1HA GLY 60 2HA GLY 60 -22.482 -4.362 -4.362 466 2HA GLY 60 1HA GLY 60 -21.076 -3.393 -3.393 467 H VAL 61 HN VAL 61 -22.910 -2.061 -2.061 468 HA VAL 61 HA VAL 61 -24.434 -0.581 -0.581 469 HB VAL 61 HB VAL 61 -25.079 -0.570 -0.570 470 1HG1 VAL 61 1HG1 VAL 61 -26.230 0.573 0.573 471 2HG1 VAL 61 3HG1 VAL 61 -27.396 -0.187 -0.187 472 3HG1 VAL 61 2HG1 VAL 61 -26.357 1.109 1.109 473 1HG2 VAL 61 1HG2 VAL 61 -25.869 -2.543 -2.543 474 2HG2 VAL 61 3HG2 VAL 61 -25.368 -2.828 -2.828 475 3HG2 VAL 61 2HG2 VAL 61 -26.968 -2.167 -2.167 476 H LEU 62 HN LEU 62 -23.326 1.197 1.197 477 HA LEU 62 HA LEU 62 -21.597 2.516 2.516 478 1HB LEU 62 2HB LEU 62 -21.909 2.443 2.443 479 2HB LEU 62 1HB LEU 62 -22.036 4.116 4.116 480 HG LEU 62 HG LEU 62 -19.860 3.915 3.915 481 1HD1 LEU 62 3HD1 LEU 62 -20.308 1.210 1.210 482 2HD1 LEU 62 2HD1 LEU 62 -19.070 1.467 1.467 483 3HD1 LEU 62 1HD1 LEU 62 -18.784 1.984 1.984 484 1HD2 LEU 62 2HD2 LEU 62 -20.111 3.376 3.376 485 2HD2 LEU 62 1HD2 LEU 62 -19.636 4.858 4.858 486 3HD2 LEU 62 3HD2 LEU 62 -18.519 3.496 3.496 487 H ASP 63 HN ASP 63 -21.766 4.814 4.814 488 HA ASP 63 HA ASP 63 -24.575 5.617 5.617 489 1HB ASP 63 2HB ASP 63 -22.318 5.585 5.585 490 2HB ASP 63 1HB ASP 63 -22.911 7.235 7.235 491 HA PRO 64 HA PRO 64 -24.287 9.323 9.323 492 1HB PRO 64 2HB PRO 64 -24.687 11.012 11.012 493 2HB PRO 64 1HB PRO 64 -25.643 10.921 10.921 494 1HG PRO 64 2HG PRO 64 -26.545 9.863 9.863 495 2HG PRO 64 1HG PRO 64 -26.828 9.063 9.063 496 1HD PRO 64 2HD PRO 64 -24.842 8.405 8.405 497 2HD PRO 64 1HD PRO 64 -25.809 7.315 7.315 498 H LYS 65 HN LYS 65 -22.273 9.731 9.731 499 HA LYS 65 HA LYS 65 -20.204 10.664 10.664 500 1HB LYS 65 2HB LYS 65 -21.568 12.637 12.637 501 2HB LYS 65 1HB LYS 65 -20.776 12.261 12.261 502 1HG LYS 65 2HG LYS 65 -18.648 12.780 12.780 503 2HG LYS 65 1HG LYS 65 -19.234 12.777 12.777 504 1HD LYS 65 2HD LYS 65 -20.766 14.705 14.705 505 2HD LYS 65 1HD LYS 65 -19.666 14.821 14.821 506 1HE LYS 65 2HE LYS 65 -18.028 15.735 15.735 507 2HE LYS 65 1HE LYS 65 -18.330 14.661 14.661 508 1HZ LYS 65 2HZ LYS 65 -20.256 16.058 16.058 509 2HZ LYS 65 1HZ LYS 65 -19.850 17.119 17.119 510 3HZ LYS 65 3HZ LYS 65 -18.799 16.914 16.914 511 H GLU 66 HN GLU 66 -20.511 8.234 8.234 512 HA GLU 66 HA GLU 66 -18.564 8.471 8.471 513 1HB GLU 66 2HB GLU 66 -20.192 7.183 7.183 514 2HB GLU 66 1HB GLU 66 -20.801 6.655 6.655 515 1HG GLU 66 2HG GLU 66 -19.438 4.824 4.824 516 2HG GLU 66 1HG GLU 66 -18.215 5.554 5.554 517 H LYS 67 HN LYS 67 -16.614 7.396 7.396 518 HA LYS 67 HA LYS 67 -15.772 6.406 6.406 519 1HB LYS 67 2HB LYS 67 -13.954 7.118 7.118 520 2HB LYS 67 1HB LYS 67 -13.545 6.974 6.974 521 1HG LYS 67 2HG LYS 67 -15.061 8.944 8.944 522 2HG LYS 67 1HG LYS 67 -15.132 9.144 9.144 523 1HD LYS 67 2HD LYS 67 -12.617 9.243 9.243 524 2HD LYS 67 1HD LYS 67 -12.705 9.311 9.311 525 1HE LYS 67 2HE LYS 67 -13.608 11.420 11.420 526 2HE LYS 67 1HE LYS 67 -14.331 11.235 11.235 527 1HZ LYS 67 3HZ LYS 67 -11.605 11.072 11.072 528 2HZ LYS 67 2HZ LYS 67 -11.822 12.350 12.350 529 3HZ LYS 67 1HZ LYS 67 -12.615 12.367 12.367 530 H VAL 68 HN VAL 68 -14.795 4.427 4.427 531 HA VAL 68 HA VAL 68 -14.484 2.705 2.705 532 HB VAL 68 HB VAL 68 -16.741 2.235 2.235 533 1HG1 VAL 68 3HG1 VAL 68 -15.324 1.745 1.745 534 2HG1 VAL 68 2HG1 VAL 68 -16.940 1.129 1.129 535 3HG1 VAL 68 1HG1 VAL 68 -16.644 2.867 2.867 536 1HG2 VAL 68 1HG2 VAL 68 -15.111 0.436 0.436 537 2HG2 VAL 68 3HG2 VAL 68 -16.572 -0.092 -0.092 538 3HG2 VAL 68 2HG2 VAL 68 -15.027 -0.081 -0.081 539 H LEU 69 HN LEU 69 -13.022 1.001 1.001 540 HA LEU 69 HA LEU 69 -11.271 1.301 1.301 541 1HB LEU 69 2HB LEU 69 -10.820 0.820 0.820 542 2HB LEU 69 1HB LEU 69 -9.949 -0.312 -0.312 543 HG LEU 69 HG LEU 69 -8.516 1.552 1.552 544 1HD1 LEU 69 2HD1 LEU 69 -8.996 0.608 0.608 545 2HD1 LEU 69 1HD1 LEU 69 -9.148 2.350 2.350 546 3HD1 LEU 69 3HD1 LEU 69 -7.665 1.676 1.676 547 1HD2 LEU 69 3HD2 LEU 69 -10.809 3.214 3.214 548 2HD2 LEU 69 2HD2 LEU 69 -10.018 3.280 3.280 549 3HD2 LEU 69 1HD2 LEU 69 -9.166 3.839 3.839 550 H MET 70 HN MET 70 -10.643 -0.448 -0.448 551 HA MET 70 HA MET 70 -12.081 -2.971 -2.971 552 1HB MET 70 2HB MET 70 -12.678 -1.412 -1.412 553 2HB MET 70 1HB MET 70 -11.272 -2.193 -2.193 554 1HG MET 70 2HG MET 70 -12.290 -4.219 -4.219 555 2HG MET 70 1HG MET 70 -13.322 -3.925 -3.925 556 1HE MET 70 2HE MET 70 -12.359 -2.059 -2.059 557 2HE MET 70 1HE MET 70 -13.481 -2.688 -2.688 558 3HE MET 70 3HE MET 70 -13.833 -1.169 -1.169 559 H ALA 71 HN ALA 71 -11.029 -4.910 -4.910 560 HA ALA 71 HA ALA 71 -8.119 -4.634 -4.634 561 1HB ALA 71 1HB ALA 71 -9.585 -6.045 -6.045 562 2HB ALA 71 3HB ALA 71 -8.261 -6.948 -6.948 563 3HB ALA 71 2HB ALA 71 -7.955 -5.373 -5.373 564 H VAL 72 HN VAL 72 -7.614 -5.438 -5.438 565 HA VAL 72 HA VAL 72 -9.073 -7.814 -7.814 566 HB VAL 72 HB VAL 72 -9.437 -5.881 -5.881 567 1HG1 VAL 72 1HG1 VAL 72 -6.788 -5.268 -5.268 568 2HG1 VAL 72 3HG1 VAL 72 -6.788 -5.657 -5.657 569 3HG1 VAL 72 2HG1 VAL 72 -7.858 -4.399 -4.399 570 1HG2 VAL 72 3HG2 VAL 72 -8.909 -8.336 -8.336 571 2HG2 VAL 72 2HG2 VAL 72 -9.201 -7.015 -7.015 572 3HG2 VAL 72 1HG2 VAL 72 -7.549 -7.520 -7.520 573 H SER 73 HN SER 73 -7.684 -9.294 -9.294 574 HA SER 73 HA SER 73 -4.848 -9.213 -9.213 575 1HB SER 73 2HB SER 73 -6.441 -10.385 -10.385 576 2HB SER 73 1HB SER 73 -5.977 -11.766 -11.766 577 HG SER 73 HG SER 73 -4.517 -11.177 -11.177 578 H CYS 74 HN CYS 74 -3.616 -10.597 -10.597 579 HA CYS 74 HA CYS 74 -5.076 -12.246 -12.246 580 1HB CYS 74 2HB CYS 74 -3.496 -11.519 -11.519 581 2HB CYS 74 1HB CYS 74 -4.427 -10.170 -10.170 582 HG CYS 74 HG CYS 74 -1.429 -10.652 -10.652 583 H ASP 75 HN ASP 75 -4.539 -14.268 -14.268 584 HA ASP 75 HA ASP 75 -2.330 -15.133 -15.133 585 1HB ASP 75 2HB ASP 75 -4.292 -16.425 -16.425 586 2HB ASP 75 1HB ASP 75 -2.812 -17.324 -17.324 587 H THR 76 HN THR 76 -0.331 -16.000 -16.000 588 HA THR 76 HA THR 76 1.107 -14.769 -14.769 589 HB THR 76 HB THR 76 2.926 -16.093 -16.093 590 HG1 THR 76 1HG THR 76 1.017 -18.030 -18.030 591 1HG2 THR 76 1HG2 THR 76 1.821 -14.793 -14.793 592 2HG2 THR 76 3HG2 THR 76 1.307 -16.376 -16.376 593 3HG2 THR 76 2HG2 THR 76 3.025 -16.018 -16.018 594 H PHE 77 HN PHE 77 2.277 -15.885 -15.885 595 HA PHE 77 HA PHE 77 1.428 -18.300 -18.300 596 1HB PHE 77 2HB PHE 77 -0.044 -17.618 -17.618 597 2HB PHE 77 1HB PHE 77 -0.712 -17.013 -17.013 598 HD1 PHE 77 2HD PHE 77 -0.171 -14.576 -14.576 599 HD2 PHE 77 1HD PHE 77 0.287 -16.184 -16.184 600 HE1 PHE 77 2HE PHE 77 -0.239 -12.302 -12.302 601 HE2 PHE 77 1HE PHE 77 0.221 -13.913 -13.913 602 HZ PHE 77 HZ PHE 77 -0.042 -11.968 -11.968 603 H ASN 78 HN ASN 78 1.766 -18.016 -18.016 604 HA ASN 78 HA ASN 78 4.385 -16.685 -16.685 605 1HB ASN 78 2HB ASN 78 3.420 -19.357 -19.357 606 2HB ASN 78 1HB ASN 78 4.520 -18.511 -18.511 607 1HD2 ASN 78 2HD2 ASN 78 6.129 -20.625 -20.625 608 2HD2 ASN 78 1HD2 ASN 78 4.642 -20.890 -20.890 609 H ALA 79 HN ALA 79 4.150 -14.871 -14.871 610 HA ALA 79 HA ALA 79 2.161 -14.731 -14.731 611 1HB ALA 79 2HB ALA 79 3.820 -12.649 -12.649 612 2HB ALA 79 1HB ALA 79 2.845 -12.293 -12.293 613 3HB ALA 79 3HB ALA 79 2.071 -12.870 -12.870 614 H ALA 80 HN ALA 80 4.933 -16.117 -16.117 615 HA ALA 80 HA ALA 80 6.305 -14.643 -14.643 616 1HB ALA 80 3HB ALA 80 7.008 -16.650 -16.650 617 2HB ALA 80 2HB ALA 80 7.318 -17.287 -17.287 618 3HB ALA 80 1HB ALA 80 8.058 -15.767 -15.767 619 H THR 81 HN THR 81 4.003 -17.213 -17.213 620 HA THR 81 HA THR 81 3.845 -17.341 -17.341 621 HB THR 81 HB THR 81 3.895 -19.776 -19.776 622 HG1 THR 81 1HG THR 81 4.160 -20.969 -20.969 623 1HG2 THR 81 1HG2 THR 81 6.052 -18.386 -18.386 624 2HG2 THR 81 3HG2 THR 81 6.326 -19.024 -19.024 625 3HG2 THR 81 2HG2 THR 81 6.171 -20.128 -20.128 626 H GLU 82 HN GLU 82 2.082 -16.089 -16.089 627 HA GLU 82 HA GLU 82 -0.306 -17.738 -17.738 628 1HB GLU 82 2HB GLU 82 0.512 -16.397 -16.397 629 2HB GLU 82 1HB GLU 82 -1.145 -16.885 -16.885 630 1HG GLU 82 2HG GLU 82 -0.022 -19.205 -19.205 631 2HG GLU 82 1HG GLU 82 1.258 -18.553 -18.553 632 H ASP 83 HN ASP 83 -1.918 -16.638 -16.638 633 HA ASP 83 HA ASP 83 -1.586 -13.973 -13.973 634 1HB ASP 83 2HB ASP 83 -4.005 -14.158 -14.158 635 2HB ASP 83 1HB ASP 83 -2.967 -15.438 -15.438 636 H LEU 84 HN LEU 84 -2.220 -12.061 -12.061 637 HA LEU 84 HA LEU 84 -3.845 -12.095 -12.095 638 1HB LEU 84 2HB LEU 84 -1.381 -10.447 -10.447 639 2HB LEU 84 1HB LEU 84 -2.467 -10.152 -10.152 640 HG LEU 84 HG LEU 84 -0.970 -12.740 -12.740 641 1HD1 LEU 84 1HD1 LEU 84 0.229 -10.387 -10.387 642 2HD1 LEU 84 3HD1 LEU 84 -0.199 -10.942 -10.942 643 3HD1 LEU 84 2HD1 LEU 84 0.796 -11.956 -11.956 644 1HD2 LEU 84 1HD2 LEU 84 -3.185 -12.326 -12.326 645 2HD2 LEU 84 3HD2 LEU 84 -1.926 -13.490 -13.490 646 3HD2 LEU 84 2HD2 LEU 84 -1.936 -11.895 -11.895 647 H ASN 85 HN ASN 85 -5.493 -11.720 -11.720 648 HA ASN 85 HA ASN 85 -6.046 -8.889 -8.889 649 1HB ASN 85 2HB ASN 85 -4.607 -9.517 -9.517 650 2HB ASN 85 1HB ASN 85 -6.033 -10.377 -10.377 651 1HD2 ASN 85 2HD2 ASN 85 -7.677 -7.547 -7.547 652 2HD2 ASN 85 1HD2 ASN 85 -7.647 -9.264 -9.264 653 H ASN 86 HN ASN 86 -7.206 -11.324 -11.324 654 HA ASN 86 HA ASN 86 -9.875 -11.107 -11.107 655 1HB ASN 86 2HB ASN 86 -8.644 -13.643 -13.643 656 2HB ASN 86 1HB ASN 86 -10.268 -13.482 -13.482 657 1HD2 ASN 86 2HD2 ASN 86 -8.876 -12.840 -12.840 658 2HD2 ASN 86 1HD2 ASN 86 -9.875 -11.991 -11.991 659 H ASP 87 HN ASP 87 -8.186 -10.295 -10.295 660 HA ASP 87 HA ASP 87 -10.149 -11.159 -11.159 661 1HB ASP 87 2HB ASP 87 -7.375 -10.084 -10.084 662 2HB ASP 87 1HB ASP 87 -8.434 -9.728 -9.728 663 H ARG 88 HN ARG 88 -11.837 -9.919 -9.919 664 HA ARG 88 HA ARG 88 -11.523 -7.017 -7.017 665 1HB ARG 88 2HB ARG 88 -13.550 -6.656 -6.656 666 2HB ARG 88 1HB ARG 88 -12.327 -7.506 -7.506 667 1HG ARG 88 2HG ARG 88 -13.573 -9.641 -9.641 668 2HG ARG 88 1HG ARG 88 -14.899 -8.531 -8.531 669 1HD ARG 88 2HD ARG 88 -13.949 -7.833 -7.833 670 2HD ARG 88 1HD ARG 88 -14.029 -9.594 -9.594 671 HE ARG 88 HE ARG 88 -16.235 -7.764 -7.764 672 1HH1 ARG 88 1HH2 ARG 88 -15.178 -10.952 -10.952 673 2HH1 ARG 88 2HH2 ARG 88 -16.772 -11.627 -11.627 674 1HH2 ARG 88 1HH1 ARG 88 -18.341 -8.645 -8.645 675 2HH2 ARG 88 2HH1 ARG 88 -18.570 -10.317 -10.317 676 H ILE 89 HN ILE 89 -12.672 -6.050 -6.050 677 HA ILE 89 HA ILE 89 -14.309 -7.784 -7.784 678 HB ILE 89 HB ILE 89 -13.435 -4.994 -4.994 679 1HG1 ILE 89 2HG1 ILE 89 -11.872 -7.549 -7.549 680 2HG1 ILE 89 1HG1 ILE 89 -11.427 -6.251 -6.251 681 1HG2 ILE 89 2HG2 ILE 89 -14.631 -7.299 -7.299 682 2HG2 ILE 89 1HG2 ILE 89 -13.393 -6.412 -6.412 683 3HG2 ILE 89 3HG2 ILE 89 -14.821 -5.569 -5.569 684 1HD1 ILE 89 3HD1 ILE 89 -11.804 -5.691 -5.691 685 2HD1 ILE 89 2HD1 ILE 89 -10.299 -6.393 -6.393 686 3HD1 ILE 89 1HD1 ILE 89 -10.837 -4.824 -4.824 687 H THR 90 HN THR 90 -16.229 -6.729 -6.729 688 HA THR 90 HA THR 90 -17.533 -4.747 -4.747 689 HB THR 90 HB THR 90 -18.828 -7.326 -7.326 690 HG1 THR 90 1HG THR 90 -18.863 -7.743 -7.743 691 1HG2 THR 90 3HG2 THR 90 -19.973 -4.860 -4.860 692 2HG2 THR 90 2HG2 THR 90 -20.311 -6.167 -6.167 693 3HG2 THR 90 1HG2 THR 90 -20.768 -6.331 -6.331 694 H ILE 91 HN ILE 91 -18.314 -3.134 -3.134 695 HA ILE 91 HA ILE 91 -19.071 -3.668 -3.668 696 HB ILE 91 HB ILE 91 -17.985 -1.042 -1.042 697 1HG1 ILE 91 2HG1 ILE 91 -15.951 -1.882 -1.882 698 2HG1 ILE 91 1HG1 ILE 91 -16.575 -3.473 -3.473 699 1HG2 ILE 91 1HG2 ILE 91 -19.413 -1.522 -1.522 700 2HG2 ILE 91 3HG2 ILE 91 -17.793 -1.861 -1.861 701 3HG2 ILE 91 2HG2 ILE 91 -18.158 -0.286 -0.286 702 1HD1 ILE 91 3HD1 ILE 91 -16.542 -2.303 -2.303 703 2HD1 ILE 91 2HD1 ILE 91 -15.190 -1.477 -1.477 704 3HD1 ILE 91 1HD1 ILE 91 -15.204 -3.237 -3.237 705 H GLU 92 HN GLU 92 -21.210 -3.549 -3.549 706 HA GLU 92 HA GLU 92 -22.609 -1.393 -1.393 707 1HB GLU 92 2HB GLU 92 -24.626 -3.053 -3.053 708 2HB GLU 92 1HB GLU 92 -23.493 -3.244 -3.244 709 1HG GLU 92 2HG GLU 92 -22.292 -4.952 -4.952 710 2HG GLU 92 1HG GLU 92 -23.450 -4.769 -4.769 711 H TRP 93 HN TRP 93 -24.465 -0.486 -0.486 712 HA TRP 93 HA TRP 93 -24.972 -1.129 -1.129 713 1HB TRP 93 2HB TRP 93 -24.327 0.997 0.997 714 2HB TRP 93 1HB TRP 93 -22.935 0.304 0.304 715 HD1 TRP 93 1HD TRP 93 -24.951 3.413 3.413 716 HE1 TRP 93 1HE TRP 93 -24.221 5.059 5.059 717 HE3 TRP 93 3HE TRP 93 -22.095 0.255 0.255 718 HZ2 TRP 93 2HZ TRP 93 -22.643 5.023 5.023 719 HZ3 TRP 93 3HZ TRP 93 -21.010 1.140 1.140 720 HH2 TRP 93 2HH TRP 93 -21.280 3.476 3.476 721 H THR 94 HN THR 94 -26.884 -0.241 -0.241 722 HA THR 94 HA THR 94 -28.393 1.533 1.533 723 HB THR 94 HB THR 94 -29.259 -0.503 -0.503 724 HG1 THR 94 1HG THR 94 -30.955 0.819 0.819 725 1HG2 THR 94 3HG2 THR 94 -29.211 -1.470 -1.470 726 2HG2 THR 94 2HG2 THR 94 -30.029 -2.312 -2.312 727 3HG2 THR 94 1HG2 THR 94 -28.281 -2.084 -2.084 728 H ASN 95 HN ASN 95 -29.586 3.008 3.008 729 HA ASN 95 HA ASN 95 -29.208 3.545 3.545 730 1HB ASN 95 2HB ASN 95 -31.332 4.951 4.951 731 2HB ASN 95 1HB ASN 95 -30.016 5.308 5.308 732 1HD2 ASN 95 2HD2 ASN 95 -32.205 5.114 5.114 733 2HD2 ASN 95 1HD2 ASN 95 -30.964 5.964 5.964 734 H THR 96 HN THR 96 -29.938 2.677 2.677 735 HA THR 96 HA THR 96 -31.672 0.442 0.442 736 HB THR 96 HB THR 96 -31.488 0.527 0.527 737 HG1 THR 96 1HG THR 96 -31.584 2.498 2.498 738 1HG2 THR 96 1HG2 THR 96 -28.887 1.349 1.349 739 2HG2 THR 96 3HG2 THR 96 -29.071 0.627 0.627 740 3HG2 THR 96 2HG2 THR 96 -29.504 -0.296 -0.296 741 HA PRO 97 HA PRO 97 -35.682 2.272 2.272 742 1HB PRO 97 2HB PRO 97 -36.975 0.489 0.489 743 2HB PRO 97 1HB PRO 97 -36.572 0.158 0.158 744 1HG PRO 97 2HG PRO 97 -35.146 -0.696 -0.696 745 2HG PRO 97 1HG PRO 97 -35.507 -1.634 -1.634 746 1HD PRO 97 2HD PRO 97 -33.071 -0.562 -0.562 747 2HD PRO 97 1HD PRO 97 -33.742 -0.720 -0.720 748 H ASP 98 HN ASP 98 -37.264 3.168 3.168 749 HA ASP 98 HA ASP 98 -36.238 4.836 4.836 750 1HB ASP 98 2HB ASP 98 -38.980 3.686 3.686 751 2HB ASP 98 1HB ASP 98 -38.652 4.728 4.728 752 H GLY 99 HN GLY 99 -35.206 4.459 4.459 753 1HA GLY 99 2HA GLY 99 -34.493 3.410 3.410 754 2HA GLY 99 1HA GLY 99 -36.200 3.078 3.078 755 H ALA 100 HN ALA 100 -33.913 1.883 1.883 756 HA ALA 100 HA ALA 100 -34.886 -0.707 -0.707 757 1HB ALA 100 2HB ALA 100 -33.110 0.580 0.580 758 2HB ALA 100 1HB ALA 100 -31.973 -0.273 -0.273 759 3HB ALA 100 3HB ALA 100 -33.130 -1.182 -1.182 760 H ALA 101 HN ALA 101 -33.679 -2.711 -2.711 761 HA ALA 101 HA ALA 101 -33.280 -2.716 -2.716 762 1HB ALA 101 3HB ALA 101 -33.136 -4.879 -4.879 763 2HB ALA 101 2HB ALA 101 -32.841 -5.164 -5.164 764 3HB ALA 101 1HB ALA 101 -34.418 -4.587 -4.587 765 H LYS 102 HN LYS 102 -31.423 -3.821 -3.821 766 HA LYS 102 HA LYS 102 -28.961 -2.717 -2.717 767 1HB LYS 102 2HB LYS 102 -29.874 -3.703 -3.703 768 2HB LYS 102 1HB LYS 102 -28.166 -3.912 -3.912 769 1HG LYS 102 2HG LYS 102 -28.710 -1.297 -1.297 770 2HG LYS 102 1HG LYS 102 -29.621 -1.530 -1.530 771 1HD LYS 102 2HD LYS 102 -26.744 -2.357 -2.357 772 2HD LYS 102 1HD LYS 102 -27.201 -0.708 -0.708 773 1HE LYS 102 2HE LYS 102 -27.702 -1.299 -1.299 774 2HE LYS 102 1HE LYS 102 -28.659 -2.677 -2.677 775 1HZ LYS 102 3HZ LYS 102 -26.518 -3.881 -3.881 776 2HZ LYS 102 2HZ LYS 102 -25.727 -2.590 -2.590 777 3HZ LYS 102 1HZ LYS 102 -26.869 -3.497 -3.497 778 H GLN 103 HN GLN 103 -29.187 -4.276 -4.276 779 HA GLN 103 HA GLN 103 -27.216 -6.215 -6.215 780 1HB GLN 103 2HB GLN 103 -29.776 -7.149 -7.149 781 2HB GLN 103 1HB GLN 103 -29.238 -8.092 -8.092 782 1HG GLN 103 2HG GLN 103 -26.989 -7.788 -7.788 783 2HG GLN 103 1HG GLN 103 -28.332 -8.160 -8.160 784 1HE2 GLN 103 2HE2 GLN 103 -27.579 -11.500 -11.500 785 2HE2 GLN 103 1HE2 GLN 103 -27.547 -10.195 -10.195 786 H PHE 104 HN PHE 104 -26.573 -6.351 -6.351 787 HA PHE 104 HA PHE 104 -27.848 -5.246 -5.246 788 1HB PHE 104 2HB PHE 104 -25.481 -5.817 -5.817 789 2HB PHE 104 1HB PHE 104 -25.868 -7.534 -7.534 790 HD1 PHE 104 2HD PHE 104 -26.809 -8.660 -8.660 791 HD2 PHE 104 1HD PHE 104 -25.649 -4.568 -4.568 792 HE1 PHE 104 2HE PHE 104 -26.857 -8.731 -8.731 793 HE2 PHE 104 1HE PHE 104 -25.695 -4.630 -4.630 794 HZ PHE 104 HZ PHE 104 -26.299 -6.713 -6.713 795 H ARG 105 HN ARG 105 -29.602 -5.765 -5.765 796 HA ARG 105 HA ARG 105 -30.482 -8.578 -8.578 797 1HB ARG 105 2HB ARG 105 -31.869 -6.539 -6.539 798 2HB ARG 105 1HB ARG 105 -32.467 -6.451 -6.451 799 1HG ARG 105 2HG ARG 105 -33.352 -8.628 -8.628 800 2HG ARG 105 1HG ARG 105 -32.459 -9.012 -9.012 801 1HD ARG 105 2HD ARG 105 -33.831 -7.616 -7.616 802 2HD ARG 105 1HD ARG 105 -34.521 -6.828 -6.828 803 HE ARG 105 HE ARG 105 -36.063 -8.504 -8.504 804 1HH1 ARG 105 1HH2 ARG 105 -33.358 -9.608 -9.608 805 2HH1 ARG 105 2HH2 ARG 105 -34.115 -11.101 -11.101 806 1HH2 ARG 105 1HH1 ARG 105 -37.069 -10.465 -10.465 807 2HH2 ARG 105 2HH1 ARG 105 -36.224 -11.589 -11.589 808 H ARG 106 HN ARG 106 -31.400 -9.406 -9.406 809 HA ARG 106 HA ARG 106 -30.247 -8.290 -8.290 810 1HB ARG 106 2HB ARG 106 -30.360 -10.758 -10.758 811 2HB ARG 106 1HB ARG 106 -32.083 -10.676 -10.676 812 1HG ARG 106 2HG ARG 106 -30.823 -9.497 -9.497 813 2HG ARG 106 1HG ARG 106 -29.878 -10.936 -10.936 814 1HD ARG 106 2HD ARG 106 -32.303 -11.999 -11.999 815 2HD ARG 106 1HD ARG 106 -32.694 -10.692 -10.692 816 HE ARG 106 HE ARG 106 -31.198 -13.067 -13.067 817 1HH1 ARG 106 1HH2 ARG 106 -31.681 -9.734 -9.734 818 2HH1 ARG 106 2HH2 ARG 106 -31.115 -9.948 -9.948 819 1HH2 ARG 106 1HH1 ARG 106 -30.451 -13.361 -13.361 820 2HH2 ARG 106 2HH1 ARG 106 -30.416 -12.012 -12.012 821 H GLU 107 HN GLU 107 -33.283 -8.113 -8.113 822 HA GLU 107 HA GLU 107 -34.970 -7.733 -7.733 823 1HB GLU 107 2HB GLU 107 -35.245 -7.776 -7.776 824 2HB GLU 107 1HB GLU 107 -35.849 -6.209 -6.209 825 1HG GLU 107 2HG GLU 107 -37.366 -7.296 -7.296 826 2HG GLU 107 1HG GLU 107 -36.745 -8.873 -8.873 827 H TRP 108 HN TRP 108 -32.692 -5.673 -5.673 828 HA TRP 108 HA TRP 108 -33.744 -3.163 -3.163 829 1HB TRP 108 2HB TRP 108 -30.897 -4.053 -4.053 830 2HB TRP 108 1HB TRP 108 -31.374 -2.371 -2.371 831 HD1 TRP 108 1HD TRP 108 -34.175 -3.248 -3.248 832 HE1 TRP 108 1HE TRP 108 -33.878 -3.080 -3.080 833 HE3 TRP 108 3HE TRP 108 -29.068 -3.229 -3.229 834 HZ2 TRP 108 2HZ TRP 108 -31.758 -2.957 -2.957 835 HZ3 TRP 108 3HZ TRP 108 -27.984 -3.083 -3.083 836 HH2 TRP 108 2HH TRP 108 -29.303 -2.949 -2.949 837 H PHE 109 HN PHE 109 -32.454 -5.616 -5.616 838 HA PHE 109 HA PHE 109 -31.750 -3.715 -3.715 839 1HB PHE 109 2HB PHE 109 -31.145 -6.643 -6.643 840 2HB PHE 109 1HB PHE 109 -30.866 -5.820 -5.820 841 HD1 PHE 109 1HD PHE 109 -30.216 -5.058 -5.058 842 HD2 PHE 109 2HD PHE 109 -28.671 -5.293 -5.293 843 HE1 PHE 109 1HE PHE 109 -28.022 -4.298 -4.298 844 HE2 PHE 109 2HE PHE 109 -26.474 -4.535 -4.535 845 HZ PHE 109 HZ PHE 109 -26.147 -4.037 -4.037 846 H GLN 110 HN GLN 110 -34.134 -6.021 -6.021 847 HA GLN 110 HA GLN 110 -35.326 -5.945 -5.945 848 1HB GLN 110 2HB GLN 110 -35.823 -7.851 -7.851 849 2HB GLN 110 1HB GLN 110 -36.671 -7.891 -7.891 850 1HG GLN 110 2HG GLN 110 -33.691 -8.185 -8.185 851 2HG GLN 110 1HG GLN 110 -34.814 -9.544 -9.544 852 1HE2 GLN 110 2HE2 GLN 110 -34.726 -9.728 -9.728 853 2HE2 GLN 110 1HE2 GLN 110 -34.809 -10.504 -10.504 854 H GLY 111 HN GLY 111 -35.499 -3.739 -3.739 855 1HA GLY 111 2HA GLY 111 -38.404 -3.784 -3.784 856 2HA GLY 111 1HA GLY 111 -37.252 -2.928 -2.928 857 H ASP 112 HN ASP 112 -37.973 -0.871 -0.871 858 HA ASP 112 HA ASP 112 -38.454 0.185 0.185 859 1HB ASP 112 2HB ASP 112 -39.559 0.702 0.702 860 2HB ASP 112 1HB ASP 112 -38.672 2.158 2.158 861 H GLY 113 HN GLY 113 -37.368 1.997 1.997 862 1HA GLY 113 2HA GLY 113 -35.704 3.715 3.715 863 2HA GLY 113 1HA GLY 113 -34.911 2.803 2.803 864 H MET 114 HN MET 114 -33.005 3.283 3.283 865 HA MET 114 HA MET 114 -32.703 1.172 1.172 866 1HB MET 114 2HB MET 114 -31.026 2.843 2.843 867 2HB MET 114 1HB MET 114 -32.747 3.056 3.056 868 1HG MET 114 2HG MET 114 -31.438 4.486 4.486 869 2HG MET 114 1HG MET 114 -31.261 5.091 5.091 870 1HE MET 114 1HE MET 114 -32.354 6.142 6.142 871 2HE MET 114 3HE MET 114 -33.851 7.023 7.023 872 3HE MET 114 2HE MET 114 -33.904 5.419 5.419 873 H VAL 115 HN VAL 115 -30.594 0.286 0.286 874 HA VAL 115 HA VAL 115 -28.897 0.721 0.721 875 HB VAL 115 HB VAL 115 -29.003 -1.816 -1.816 876 1HG1 VAL 115 3HG1 VAL 115 -27.450 -0.854 -0.854 877 2HG1 VAL 115 2HG1 VAL 115 -28.233 -2.404 -2.404 878 3HG1 VAL 115 1HG1 VAL 115 -27.157 -2.221 -2.221 879 1HG2 VAL 115 1HG2 VAL 115 -30.751 -0.868 -0.868 880 2HG2 VAL 115 3HG2 VAL 115 -31.115 -1.931 -1.931 881 3HG2 VAL 115 2HG2 VAL 115 -30.233 -2.554 -2.554 882 H ARG 116 HN ARG 116 -26.770 1.137 1.137 883 HA ARG 116 HA ARG 116 -25.833 1.471 1.471 884 1HB ARG 116 2HB ARG 116 -25.749 3.383 3.383 885 2HB ARG 116 1HB ARG 116 -24.515 2.478 2.478 886 1HG ARG 116 2HG ARG 116 -23.399 4.055 4.055 887 2HG ARG 116 1HG ARG 116 -23.168 2.471 2.471 888 1HD ARG 116 2HD ARG 116 -25.159 3.018 3.018 889 2HD ARG 116 1HD ARG 116 -25.041 4.667 4.667 890 HE ARG 116 HE ARG 116 -23.324 3.406 3.406 891 1HH1 ARG 116 1HH2 ARG 116 -23.567 5.917 5.917 892 2HH1 ARG 116 2HH2 ARG 116 -22.320 6.891 6.891 893 1HH2 ARG 116 1HH1 ARG 116 -21.679 4.681 4.681 894 2HH2 ARG 116 2HH1 ARG 116 -21.247 6.188 6.188 895 H ARG 117 HN ARG 117 -23.738 0.748 0.748 896 HA ARG 117 HA ARG 117 -22.227 -0.984 -0.984 897 1HB ARG 117 2HB ARG 117 -24.034 -2.498 -2.498 898 2HB ARG 117 1HB ARG 117 -23.654 -2.176 -2.176 899 1HG ARG 117 2HG ARG 117 -21.289 -3.033 -3.033 900 2HG ARG 117 1HG ARG 117 -22.118 -3.751 -3.751 901 1HD ARG 117 2HD ARG 117 -22.437 -4.333 -4.333 902 2HD ARG 117 1HD ARG 117 -22.186 -5.450 -5.450 903 HE ARG 117 HE ARG 117 -24.631 -4.260 -4.260 904 1HH1 ARG 117 1HH2 ARG 117 -23.175 -6.202 -6.202 905 2HH1 ARG 117 2HH2 ARG 117 -24.666 -6.941 -6.941 906 1HH2 ARG 117 1HH1 ARG 117 -26.603 -5.227 -5.227 907 2HH2 ARG 117 2HH1 ARG 117 -26.616 -6.386 -6.386 908 H LYS 118 HN LYS 118 -20.144 -1.157 -1.157 909 HA LYS 118 HA LYS 118 -19.418 -0.506 -0.506 910 1HB LYS 118 2HB LYS 118 -18.448 1.028 1.028 911 2HB LYS 118 1HB LYS 118 -17.642 1.075 1.075 912 1HG LYS 118 2HG LYS 118 -20.091 1.705 1.705 913 2HG LYS 118 1HG LYS 118 -20.204 2.285 2.285 914 1HD LYS 118 2HD LYS 118 -18.103 3.069 3.069 915 2HD LYS 118 1HD LYS 118 -19.463 4.063 4.063 916 1HE LYS 118 2HE LYS 118 -18.473 3.662 3.662 917 2HE LYS 118 1HE LYS 118 -16.996 3.281 3.281 918 1HZ LYS 118 2HZ LYS 118 -18.505 5.795 5.795 919 2HZ LYS 118 1HZ LYS 118 -17.268 5.656 5.656 920 3HZ LYS 118 3HZ LYS 118 -16.930 5.431 5.431 921 H ASN 119 HN ASN 119 -17.757 -1.709 -1.709 922 HA ASN 119 HA ASN 119 -16.506 -3.540 -3.540 923 1HB ASN 119 2HB ASN 119 -16.202 -3.472 -3.472 924 2HB ASN 119 1HB ASN 119 -15.800 -4.801 -4.801 925 1HD2 ASN 119 1HD2 ASN 119 -17.903 -5.123 -5.123 926 2HD2 ASN 119 2HD2 ASN 119 -19.329 -5.471 -5.471 927 H LEU 120 HN LEU 120 -14.420 -3.482 -3.482 928 HA LEU 120 HA LEU 120 -12.797 -1.260 -1.260 929 1HB LEU 120 2HB LEU 120 -13.014 -2.702 -2.702 930 2HB LEU 120 1HB LEU 120 -11.387 -2.248 -2.248 931 HG LEU 120 HG LEU 120 -11.941 0.072 0.072 932 1HD1 LEU 120 3HD1 LEU 120 -14.664 -0.942 -0.942 933 2HD1 LEU 120 2HD1 LEU 120 -14.509 0.389 0.389 934 3HD1 LEU 120 1HD1 LEU 120 -13.971 0.593 0.593 935 1HD2 LEU 120 1HD2 LEU 120 -13.161 -1.282 -1.282 936 2HD2 LEU 120 3HD2 LEU 120 -11.471 -0.822 -0.822 937 3HD2 LEU 120 2HD2 LEU 120 -12.715 0.422 0.422 938 HA PRO 121 HA PRO 121 -10.516 -4.389 -4.389 939 1HB PRO 121 2HB PRO 121 -8.627 -2.694 -2.694 940 2HB PRO 121 1HB PRO 121 -10.248 -2.860 -2.860 941 1HG PRO 121 2HG PRO 121 -9.183 -0.778 -0.778 942 2HG PRO 121 1HG PRO 121 -10.233 -0.580 -0.580 943 1HD PRO 121 2HD PRO 121 -11.204 -0.560 -0.560 944 2HD PRO 121 1HD PRO 121 -12.126 -1.232 -1.232 945 H ILE 122 HN ILE 122 -9.039 -5.734 -5.734 946 HA ILE 122 HA ILE 122 -7.246 -4.795 -4.795 947 HB ILE 122 HB ILE 122 -7.651 -7.618 -7.618 948 1HG1 ILE 122 2HG1 ILE 122 -9.749 -6.627 -6.627 949 2HG1 ILE 122 1HG1 ILE 122 -9.151 -7.921 -7.921 950 1HG2 ILE 122 2HG2 ILE 122 -6.180 -6.391 -6.391 951 2HG2 ILE 122 1HG2 ILE 122 -6.817 -8.031 -8.031 952 3HG2 ILE 122 3HG2 ILE 122 -5.650 -7.632 -7.632 953 1HD1 ILE 122 3HD1 ILE 122 -8.028 -5.567 -5.567 954 2HD1 ILE 122 2HD1 ILE 122 -9.712 -5.188 -5.188 955 3HD1 ILE 122 1HD1 ILE 122 -9.322 -6.535 -6.535 956 H GLU 123 HN GLU 123 -5.009 -5.084 -5.084 957 HA GLU 123 HA GLU 123 -3.779 -5.881 -5.881 958 1HB GLU 123 2HB GLU 123 -3.832 -3.172 -3.172 959 2HB GLU 123 1HB GLU 123 -2.217 -3.744 -3.744 960 1HG GLU 123 2HG GLU 123 -2.555 -3.441 -3.441 961 2HG GLU 123 1HG GLU 123 -4.073 -4.337 -4.337 962 H TYR 124 HN TYR 124 -1.461 -6.262 -6.262 963 HA TYR 124 HA TYR 124 -0.592 -6.808 -6.808 964 1HB TYR 124 2HB TYR 124 -0.361 -8.691 -8.691 965 2HB TYR 124 1HB TYR 124 0.410 -8.945 -8.945 966 HD1 TYR 124 1HD TYR 124 -2.861 -8.688 -8.688 967 HD2 TYR 124 2HD TYR 124 -0.800 -9.853 -9.853 968 HE1 TYR 124 1HE TYR 124 -4.896 -9.802 -9.802 969 HE2 TYR 124 2HE TYR 124 -2.830 -10.972 -10.972 970 HH TYR 124 HH TYR 124 -5.664 -10.449 -10.449 971 H ASN 125 HN ASN 125 1.104 -5.541 -5.541 972 HA ASN 125 HA ASN 125 2.967 -5.007 -5.007 973 1HB ASN 125 2HB ASN 125 1.871 -3.346 -3.346 974 2HB ASN 125 1HB ASN 125 3.518 -3.619 -3.619 975 1HD2 ASN 125 2HD2 ASN 125 4.420 -0.934 -0.934 976 2HD2 ASN 125 1HD2 ASN 125 4.229 -1.565 -1.565 977 H LEU 126 HN LEU 126 4.992 -5.790 -5.790 978 HA LEU 126 HA LEU 126 5.814 -7.456 -7.456 979 1HB LEU 126 2HB LEU 126 7.165 -7.460 -7.460 980 2HB LEU 126 1HB LEU 126 7.097 -8.735 -8.735 981 HG LEU 126 HG LEU 126 4.813 -7.839 -7.839 982 1HD1 LEU 126 1HD1 LEU 126 6.923 -9.818 -9.818 983 2HD1 LEU 126 3HD1 LEU 126 5.308 -10.508 -10.508 984 3HD1 LEU 126 2HD1 LEU 126 5.796 -9.173 -9.173 985 1HD2 LEU 126 3HD2 LEU 126 4.728 -9.080 -9.080 986 2HD2 LEU 126 2HD2 LEU 126 3.415 -8.916 -8.916 987 3HD2 LEU 126 1HD2 LEU 126 4.435 -10.355 -10.355 988 1H ALA 1 3HN ALA 1 36.322 -13.946 -13.946 989 2H ALA 1 2HN ALA 1 35.804 -15.442 -15.442 990 3H ALA 1 1HN ALA 1 36.096 -15.302 -15.302 991 HA ALA 1 HA ALA 1 38.366 -15.063 -15.063 992 1HB ALA 1 1HB ALA 1 37.053 -17.352 -17.352 993 2HB ALA 1 3HB ALA 1 37.928 -17.174 -17.174 994 3HB ALA 1 2HB ALA 1 38.812 -17.221 -17.221 995 H GLN 2 HN GLN 2 36.802 -15.324 -15.324 996 HA GLN 2 HA GLN 2 39.105 -13.907 -13.907 997 1HB GLN 2 2HB GLN 2 38.383 -14.813 -14.813 998 2HB GLN 2 1HB GLN 2 38.665 -16.097 -16.097 999 1HG GLN 2 2HG GLN 2 36.002 -15.573 -15.573 1000 2HG GLN 2 1HG GLN 2 36.225 -15.329 -15.329 1001 1HE2 GLN 2 2HE2 GLN 2 36.163 -18.700 -18.700 1002 2HE2 GLN 2 1HE2 GLN 2 35.904 -17.066 -17.066 1003 H SER 3 HN SER 3 38.256 -12.750 -12.750 1004 HA SER 3 HA SER 3 36.955 -10.440 -10.440 1005 1HB SER 3 2HB SER 3 36.954 -9.798 -9.798 1006 2HB SER 3 1HB SER 3 38.325 -10.899 -10.899 1007 HG SER 3 HG SER 3 37.101 -11.447 -11.447 1008 H VAL 4 HN VAL 4 34.862 -9.609 -9.609 1009 HA VAL 4 HA VAL 4 32.776 -11.534 -11.534 1010 HB VAL 4 HB VAL 4 31.402 -10.636 -10.636 1011 1HG1 VAL 4 3HG1 VAL 4 33.358 -12.732 -12.732 1012 2HG1 VAL 4 2HG1 VAL 4 33.221 -12.139 -12.139 1013 3HG1 VAL 4 1HG1 VAL 4 31.789 -12.720 -12.720 1014 1HG2 VAL 4 3HG2 VAL 4 33.426 -8.910 -8.910 1015 2HG2 VAL 4 2HG2 VAL 4 32.338 -9.417 -9.417 1016 3HG2 VAL 4 1HG2 VAL 4 33.915 -10.185 -10.185 1017 HA PRO 5 HA PRO 5 31.790 -7.681 -7.681 1018 1HB PRO 5 2HB PRO 5 29.852 -8.788 -8.788 1019 2HB PRO 5 1HB PRO 5 31.578 -8.893 -8.893 1020 1HG PRO 5 2HG PRO 5 29.793 -10.911 -10.911 1021 2HG PRO 5 1HG PRO 5 31.033 -11.155 -11.155 1022 1HD PRO 5 2HD PRO 5 31.497 -11.702 -11.702 1023 2HD PRO 5 1HD PRO 5 32.767 -11.062 -11.062 1024 HA PRO 6 HA PRO 6 28.161 -6.296 -6.296 1025 1HB PRO 6 2HB PRO 6 26.962 -4.695 -4.695 1026 2HB PRO 6 1HB PRO 6 28.453 -4.247 -4.247 1027 1HG PRO 6 2HG PRO 6 28.089 -5.384 -5.384 1028 2HG PRO 6 1HG PRO 6 29.161 -4.076 -4.076 1029 1HD PRO 6 2HD PRO 6 30.039 -6.604 -6.604 1030 2HD PRO 6 1HD PRO 6 30.748 -5.539 -5.539 1031 H GLY 7 HN GLY 7 26.948 -8.178 -8.178 1032 1HA GLY 7 2HA GLY 7 25.530 -9.622 -9.622 1033 2HA GLY 7 1HA GLY 7 25.034 -9.440 -9.440 1034 H ASP 8 HN ASP 8 23.757 -9.353 -9.353 1035 HA ASP 8 HA ASP 8 22.566 -6.856 -6.856 1036 1HB ASP 8 2HB ASP 8 21.372 -9.558 -9.558 1037 2HB ASP 8 1HB ASP 8 20.911 -8.014 -8.014 1038 H ILE 9 HN ILE 9 21.478 -5.786 -5.786 1039 HA ILE 9 HA ILE 9 20.088 -7.030 -7.030 1040 HB ILE 9 HB ILE 9 19.220 -4.758 -4.758 1041 1HG1 ILE 9 2HG1 ILE 9 20.907 -3.350 -3.350 1042 2HG1 ILE 9 1HG1 ILE 9 19.710 -4.331 -4.331 1043 1HG2 ILE 9 3HG2 ILE 9 22.143 -5.220 -5.220 1044 2HG2 ILE 9 2HG2 ILE 9 21.561 -3.701 -3.701 1045 3HG2 ILE 9 1HG2 ILE 9 21.236 -5.221 -5.221 1046 1HD1 ILE 9 2HD1 ILE 9 19.067 -2.346 -2.346 1047 2HD1 ILE 9 1HD1 ILE 9 18.975 -2.016 -2.016 1048 3HD1 ILE 9 3HD1 ILE 9 17.922 -3.232 -3.232 1049 H ASN 10 HN ASN 10 18.121 -7.884 -7.884 1050 HA ASN 10 HA ASN 10 16.446 -7.959 -7.959 1051 1HB ASN 10 2HB ASN 10 16.495 -9.106 -9.106 1052 2HB ASN 10 1HB ASN 10 14.876 -8.495 -8.495 1053 1HD2 ASN 10 2HD2 ASN 10 15.784 -12.014 -12.014 1054 2HD2 ASN 10 1HD2 ASN 10 16.422 -11.215 -11.215 1055 H THR 11 HN THR 11 14.515 -6.923 -6.923 1056 HA THR 11 HA THR 11 13.693 -4.712 -4.712 1057 HB THR 11 HB THR 11 13.386 -3.515 -3.515 1058 HG1 THR 11 1HG THR 11 14.479 -5.248 -5.248 1059 1HG2 THR 11 2HG2 THR 11 15.074 -3.160 -3.160 1060 2HG2 THR 11 1HG2 THR 11 16.097 -3.049 -3.049 1061 3HG2 THR 11 3HG2 THR 11 14.690 -1.999 -1.999 1062 H GLN 12 HN GLN 12 11.545 -4.388 -4.388 1063 HA GLN 12 HA GLN 12 9.825 -5.605 -5.605 1064 1HB GLN 12 2HB GLN 12 9.229 -5.967 -5.967 1065 2HB GLN 12 1HB GLN 12 8.486 -6.777 -6.777 1066 1HG GLN 12 2HG GLN 12 10.272 -8.207 -8.207 1067 2HG GLN 12 1HG GLN 12 11.396 -7.142 -7.142 1068 1HE2 GLN 12 2HE2 GLN 12 9.651 -10.119 -10.119 1069 2HE2 GLN 12 1HE2 GLN 12 9.682 -9.941 -9.941 1070 HA PRO 13 HA PRO 13 8.430 -4.800 -4.800 1071 1HB PRO 13 2HB PRO 13 8.711 -2.534 -2.534 1072 2HB PRO 13 1HB PRO 13 7.161 -3.190 -3.190 1073 1HG PRO 13 2HG PRO 13 8.782 -0.962 -0.962 1074 2HG PRO 13 1HG PRO 13 7.028 -1.066 -1.066 1075 1HD PRO 13 2HD PRO 13 8.129 -1.463 -1.463 1076 2HD PRO 13 1HD PRO 13 6.725 -2.407 -2.407 1077 H SER 14 HN SER 14 9.982 -5.041 -5.041 1078 HA SER 14 HA SER 14 12.695 -4.506 -4.506 1079 1HB SER 14 2HB SER 14 12.267 -6.786 -6.786 1080 2HB SER 14 1HB SER 14 11.608 -6.282 -6.282 1081 HG SER 14 HG SER 14 14.294 -6.049 -6.049 1082 H GLN 15 HN GLN 15 10.473 -3.517 -3.517 1083 HA GLN 15 HA GLN 15 12.011 -1.282 -1.282 1084 1HB GLN 15 2HB GLN 15 13.010 -3.539 -3.539 1085 2HB GLN 15 1HB GLN 15 11.887 -2.967 -2.967 1086 1HG GLN 15 2HG GLN 15 12.996 -0.789 -0.789 1087 2HG GLN 15 1HG GLN 15 14.125 -1.369 -1.369 1088 1HE2 GLN 15 1HE2 GLN 15 13.177 -1.515 -1.515 1089 2HE2 GLN 15 2HE2 GLN 15 14.581 -2.339 -2.339 1090 H LYS 16 HN LYS 16 9.436 -1.459 -1.459 1091 HA LYS 16 HA LYS 16 8.052 -0.103 -0.103 1092 1HB LYS 16 2HB LYS 16 7.967 -2.950 -2.950 1093 2HB LYS 16 1HB LYS 16 6.359 -2.373 -2.373 1094 1HG LYS 16 2HG LYS 16 6.284 -0.944 -0.944 1095 2HG LYS 16 1HG LYS 16 8.001 -1.182 -1.182 1096 1HD LYS 16 2HD LYS 16 6.919 -3.747 -3.747 1097 2HD LYS 16 1HD LYS 16 5.726 -2.762 -2.762 1098 1HE LYS 16 2HE LYS 16 8.669 -2.912 -2.912 1099 2HE LYS 16 1HE LYS 16 7.380 -3.723 -3.723 1100 1HZ LYS 16 2HZ LYS 16 6.732 -1.010 -1.010 1101 2HZ LYS 16 1HZ LYS 16 8.338 -1.113 -1.113 1102 3HZ LYS 16 3HZ LYS 16 7.116 -1.898 -1.898 1103 H ILE 17 HN ILE 17 7.143 1.260 1.260 1104 HA ILE 17 HA ILE 17 5.405 0.116 0.116 1105 HB ILE 17 HB ILE 17 7.491 1.013 1.013 1106 1HG1 ILE 17 2HG1 ILE 17 5.236 2.832 2.832 1107 2HG1 ILE 17 1HG1 ILE 17 5.104 1.095 1.095 1108 1HG2 ILE 17 3HG2 ILE 17 7.466 2.916 2.916 1109 2HG2 ILE 17 2HG2 ILE 17 6.619 3.794 3.794 1110 3HG2 ILE 17 1HG2 ILE 17 8.234 3.150 3.150 1111 1HD1 ILE 17 1HD1 ILE 17 7.207 1.193 1.193 1112 2HD1 ILE 17 3HD1 ILE 17 7.164 2.949 2.949 1113 3HD1 ILE 17 2HD1 ILE 17 5.872 2.107 2.107 1114 H VAL 18 HN VAL 18 3.364 0.707 0.707 1115 HA VAL 18 HA VAL 18 2.817 3.198 3.198 1116 HB VAL 18 HB VAL 18 0.989 0.824 0.824 1117 1HG1 VAL 18 1HG1 VAL 18 0.257 3.372 3.372 1118 2HG1 VAL 18 3HG1 VAL 18 0.525 2.763 2.763 1119 3HG1 VAL 18 2HG1 VAL 18 -0.622 1.951 1.951 1120 1HG2 VAL 18 2HG2 VAL 18 3.192 0.759 0.759 1121 2HG2 VAL 18 1HG2 VAL 18 1.695 -0.056 -0.056 1122 3HG2 VAL 18 3HG2 VAL 18 2.086 1.518 1.518 1123 H PHE 19 HN PHE 19 2.796 4.646 4.646 1124 HA PHE 19 HA PHE 19 1.632 4.327 4.327 1125 1HB PHE 19 2HB PHE 19 1.780 6.857 6.857 1126 2HB PHE 19 1HB PHE 19 1.495 6.790 6.790 1127 HD1 PHE 19 2HD PHE 19 3.487 4.531 4.531 1128 HD2 PHE 19 1HD PHE 19 3.768 8.149 8.149 1129 HE1 PHE 19 2HE PHE 19 5.914 4.582 4.582 1130 HE2 PHE 19 1HE PHE 19 6.196 8.206 8.206 1131 HZ PHE 19 HZ PHE 19 7.272 6.420 6.420 1132 H ASN 20 HN ASN 20 -0.329 3.316 3.316 1133 HA ASN 20 HA ASN 20 -2.491 3.941 3.941 1134 1HB ASN 20 2HB ASN 20 -2.246 2.416 2.416 1135 2HB ASN 20 1HB ASN 20 -3.824 2.708 2.708 1136 1HD2 ASN 20 2HD2 ASN 20 -1.614 -0.318 -0.318 1137 2HD2 ASN 20 1HD2 ASN 20 -1.363 0.564 0.564 1138 H ALA 21 HN ALA 21 -4.269 5.205 5.205 1139 HA ALA 21 HA ALA 21 -4.126 7.622 7.622 1140 1HB ALA 21 1HB ALA 21 -6.006 6.248 6.248 1141 2HB ALA 21 3HB ALA 21 -6.866 6.767 6.767 1142 3HB ALA 21 2HB ALA 21 -6.023 7.953 7.953 1143 HA PRO 22 HA PRO 22 -6.135 8.846 8.846 1144 1HB PRO 22 2HB PRO 22 -7.010 10.421 10.421 1145 2HB PRO 22 1HB PRO 22 -7.936 8.993 8.993 1146 1HG PRO 22 2HG PRO 22 -6.190 9.413 9.413 1147 2HG PRO 22 1HG PRO 22 -7.703 8.502 8.502 1148 1HD PRO 22 2HD PRO 22 -5.099 7.438 7.438 1149 2HD PRO 22 1HD PRO 22 -6.595 6.595 6.595 1150 H TYR 23 HN TYR 23 -5.479 11.101 11.101 1151 HA TYR 23 HA TYR 23 -2.810 11.498 11.498 1152 1HB TYR 23 2HB TYR 23 -4.026 12.712 12.712 1153 2HB TYR 23 1HB TYR 23 -2.419 13.075 13.075 1154 HD1 TYR 23 2HD TYR 23 -1.735 10.220 10.220 1155 HD2 TYR 23 1HD TYR 23 -3.381 11.829 11.829 1156 HE1 TYR 23 2HE TYR 23 -0.815 8.326 8.326 1157 HE2 TYR 23 1HE TYR 23 -2.468 9.937 9.937 1158 HH TYR 23 HH TYR 23 -1.704 7.693 7.693 1159 H ASP 24 HN ASP 24 -5.317 12.057 12.057 1160 HA ASP 24 HA ASP 24 -5.403 14.980 14.980 1161 1HB ASP 24 2HB ASP 24 -7.491 13.453 13.453 1162 2HB ASP 24 1HB ASP 24 -7.173 13.169 13.169 1163 H ASP 25 HN ASP 25 -3.533 12.727 12.727 1164 HA ASP 25 HA ASP 25 -2.805 14.443 14.443 1165 1HB ASP 25 2HB ASP 25 -4.871 12.964 12.964 1166 2HB ASP 25 1HB ASP 25 -3.629 11.734 11.734 1167 H LYS 26 HN LYS 26 -0.829 13.834 13.834 1168 HA LYS 26 HA LYS 26 1.049 12.659 12.659 1169 1HB LYS 26 2HB LYS 26 1.237 12.688 12.688 1170 2HB LYS 26 1HB LYS 26 2.561 12.722 12.722 1171 1HG LYS 26 2HG LYS 26 1.461 14.943 14.943 1172 2HG LYS 26 1HG LYS 26 0.688 14.903 14.903 1173 1HD LYS 26 2HD LYS 26 3.500 14.308 14.308 1174 2HD LYS 26 1HD LYS 26 3.249 15.842 15.842 1175 1HE LYS 26 2HE LYS 26 1.453 15.921 15.921 1176 2HE LYS 26 1HE LYS 26 2.889 15.168 15.168 1177 1HZ LYS 26 1HZ LYS 26 3.550 17.416 17.416 1178 2HZ LYS 26 3HZ LYS 26 2.485 17.845 17.845 1179 3HZ LYS 26 2HZ LYS 26 3.957 17.099 17.099 1180 H HIS 27 HN HIS 27 0.980 10.648 10.648 1181 HA HIS 27 HA HIS 27 0.169 8.470 8.470 1182 1HB HIS 27 2HB HIS 27 -0.887 8.915 8.915 1183 2HB HIS 27 1HB HIS 27 0.571 8.134 8.134 1184 HD1 HIS 27 1HD HIS 27 0.195 6.289 6.289 1185 HD2 HIS 27 2HD HIS 27 -2.081 6.535 6.535 1186 HE1 HIS 27 1HE HIS 27 -1.148 4.149 4.149 1187 H THR 28 HN THR 28 1.825 7.543 7.543 1188 HA THR 28 HA THR 28 4.438 7.420 7.420 1189 HB THR 28 HB THR 28 3.605 6.664 6.664 1190 HG1 THR 28 1HG THR 28 3.505 8.937 8.937 1191 1HG2 THR 28 1HG2 THR 28 6.322 6.883 6.883 1192 2HG2 THR 28 3HG2 THR 28 6.046 6.897 6.897 1193 3HG2 THR 28 2HG2 THR 28 5.600 5.481 5.481 1194 H TYR 29 HN TYR 29 4.787 5.743 5.743 1195 HA TYR 29 HA TYR 29 3.452 3.205 3.205 1196 1HB TYR 29 2HB TYR 29 5.297 4.071 4.071 1197 2HB TYR 29 1HB TYR 29 4.433 2.539 2.539 1198 HD1 TYR 29 1HD TYR 29 4.021 6.197 6.197 1199 HD2 TYR 29 2HD TYR 29 2.138 2.393 2.393 1200 HE1 TYR 29 1HE TYR 29 2.088 7.246 7.246 1201 HE2 TYR 29 2HE TYR 29 0.200 3.433 3.433 1202 HH TYR 29 HH TYR 29 -0.366 6.727 6.727 1203 H HIS 30 HN HIS 30 4.341 1.624 1.624 1204 HA HIS 30 HA HIS 30 7.051 1.799 1.799 1205 1HB HIS 30 2HB HIS 30 4.919 -0.304 -0.304 1206 2HB HIS 30 1HB HIS 30 6.507 -0.365 -0.365 1207 HD1 HIS 30 1HD HIS 30 3.225 0.503 0.503 1208 HD2 HIS 30 2HD HIS 30 6.908 2.350 2.350 1209 HE1 HIS 30 1HE HIS 30 2.934 2.134 2.134 1210 H ILE 31 HN ILE 31 8.808 0.802 0.802 1211 HA ILE 31 HA ILE 31 8.468 -1.157 -1.157 1212 HB ILE 31 HB ILE 31 10.922 0.533 0.533 1213 1HG1 ILE 31 2HG1 ILE 31 8.590 1.063 1.063 1214 2HG1 ILE 31 1HG1 ILE 31 9.023 2.018 2.018 1215 1HG2 ILE 31 1HG2 ILE 31 9.950 -1.061 -1.061 1216 2HG2 ILE 31 3HG2 ILE 31 11.405 -0.066 -0.066 1217 3HG2 ILE 31 2HG2 ILE 31 11.283 -1.484 -1.484 1218 1HD1 ILE 31 3HD1 ILE 31 11.021 1.645 1.645 1219 2HD1 ILE 31 2HD1 ILE 31 9.706 2.802 2.802 1220 3HD1 ILE 31 1HD1 ILE 31 10.830 2.976 2.976 1221 H LYS 32 HN LYS 32 9.918 -2.947 -2.947 1222 HA LYS 32 HA LYS 32 11.077 -3.580 -3.580 1223 1HB LYS 32 2HB LYS 32 9.840 -5.362 -5.362 1224 2HB LYS 32 1HB LYS 32 10.794 -5.989 -5.989 1225 1HG LYS 32 2HG LYS 32 8.607 -6.191 -6.191 1226 2HG LYS 32 1HG LYS 32 9.166 -4.701 -4.701 1227 1HD LYS 32 2HD LYS 32 7.835 -3.373 -3.373 1228 2HD LYS 32 1HD LYS 32 7.861 -4.495 -4.495 1229 1HE LYS 32 2HE LYS 32 6.115 -5.717 -5.717 1230 2HE LYS 32 1HE LYS 32 6.527 -5.407 -5.407 1231 1HZ LYS 32 2HZ LYS 32 5.273 -3.455 -3.455 1232 2HZ LYS 32 1HZ LYS 32 4.471 -4.306 -4.306 1233 3HZ LYS 32 3HZ LYS 32 5.657 -3.168 -3.168 1234 H ILE 33 HN ILE 33 13.200 -3.707 -3.707 1235 HA ILE 33 HA ILE 33 14.707 -4.481 -4.481 1236 HB ILE 33 HB ILE 33 15.631 -2.489 -2.489 1237 1HG1 ILE 33 2HG1 ILE 33 14.883 -1.887 -1.887 1238 2HG1 ILE 33 1HG1 ILE 33 13.721 -1.759 -1.759 1239 1HG2 ILE 33 2HG2 ILE 33 16.837 -3.496 -3.496 1240 2HG2 ILE 33 1HG2 ILE 33 17.390 -2.036 -2.036 1241 3HG2 ILE 33 3HG2 ILE 33 17.504 -3.600 -3.600 1242 1HD1 ILE 33 3HD1 ILE 33 16.091 -0.358 -0.358 1243 2HD1 ILE 33 2HD1 ILE 33 15.577 0.159 0.159 1244 3HD1 ILE 33 1HD1 ILE 33 14.459 0.264 0.264 1245 H THR 34 HN THR 34 16.620 -5.701 -5.701 1246 HA THR 34 HA THR 34 17.197 -6.557 -6.557 1247 HB THR 34 HB THR 34 16.286 -8.462 -8.462 1248 HG1 THR 34 1HG THR 34 14.594 -7.617 -7.617 1249 1HG2 THR 34 2HG2 THR 34 18.264 -9.318 -9.318 1250 2HG2 THR 34 1HG2 THR 34 17.235 -9.255 -9.255 1251 3HG2 THR 34 3HG2 THR 34 16.799 -10.298 -10.298 1252 H ASN 35 HN ASN 35 19.248 -7.364 -7.364 1253 HA ASN 35 HA ASN 35 21.113 -6.816 -6.816 1254 1HB ASN 35 2HB ASN 35 21.399 -6.100 -6.100 1255 2HB ASN 35 1HB ASN 35 21.874 -7.774 -7.774 1256 1HD2 ASN 35 2HD2 ASN 35 24.934 -5.845 -5.845 1257 2HD2 ASN 35 1HD2 ASN 35 23.658 -5.874 -5.874 1258 H ALA 36 HN ALA 36 21.327 -8.422 -8.422 1259 HA ALA 36 HA ALA 36 21.209 -11.197 -11.197 1260 1HB ALA 36 2HB ALA 36 20.031 -10.297 -10.297 1261 2HB ALA 36 1HB ALA 36 21.626 -10.238 -10.238 1262 3HB ALA 36 3HB ALA 36 20.967 -11.779 -11.779 1263 H GLY 37 HN GLY 37 23.528 -9.278 -9.278 1264 1HA GLY 37 2HA GLY 37 25.660 -10.777 -10.777 1265 2HA GLY 37 1HA GLY 37 25.846 -9.191 -9.191 1266 H GLY 38 HN GLY 38 27.775 -10.446 -10.446 1267 1HA GLY 38 2HA GLY 38 27.076 -12.163 -12.163 1268 2HA GLY 38 1HA GLY 38 28.685 -11.939 -11.939 1269 H ARG 39 HN ARG 39 28.348 -8.991 -8.991 1270 HA ARG 39 HA ARG 39 28.553 -8.501 -8.501 1271 1HB ARG 39 2HB ARG 39 30.142 -6.949 -6.949 1272 2HB ARG 39 1HB ARG 39 30.432 -7.133 -7.133 1273 1HG ARG 39 2HG ARG 39 30.542 -9.710 -9.710 1274 2HG ARG 39 1HG ARG 39 31.519 -8.622 -8.622 1275 1HD ARG 39 2HD ARG 39 32.040 -8.045 -8.045 1276 2HD ARG 39 1HD ARG 39 32.149 -9.790 -9.790 1277 HE ARG 39 HE ARG 39 33.552 -8.372 -8.372 1278 1HH1 ARG 39 1HH2 ARG 39 33.751 -9.447 -9.447 1279 2HH1 ARG 39 2HH2 ARG 39 35.482 -9.508 -9.508 1280 1HH2 ARG 39 1HH1 ARG 39 35.832 -8.444 -8.444 1281 2HH2 ARG 39 2HH1 ARG 39 36.665 -8.936 -8.936 1282 H ARG 40 HN ARG 40 28.585 -5.948 -5.948 1283 HA ARG 40 HA ARG 40 25.998 -5.054 -5.054 1284 1HB ARG 40 2HB ARG 40 26.742 -2.883 -2.883 1285 2HB ARG 40 1HB ARG 40 27.031 -4.270 -4.270 1286 1HG ARG 40 2HG ARG 40 29.385 -4.132 -4.132 1287 2HG ARG 40 1HG ARG 40 28.929 -2.428 -2.428 1288 1HD ARG 40 2HD ARG 40 30.100 -2.685 -2.685 1289 2HD ARG 40 1HD ARG 40 28.436 -2.933 -2.933 1290 HE ARG 40 HE ARG 40 29.376 -5.433 -5.433 1291 1HH1 ARG 40 1HH2 ARG 40 30.308 -2.878 -2.878 1292 2HH1 ARG 40 2HH2 ARG 40 30.997 -3.950 -3.950 1293 1HH2 ARG 40 1HH1 ARG 40 30.280 -6.855 -6.855 1294 2HH2 ARG 40 2HH1 ARG 40 30.981 -6.213 -6.213 1295 H ILE 41 HN ILE 41 25.662 -2.800 -2.800 1296 HA ILE 41 HA ILE 41 27.496 -2.161 -2.161 1297 HB ILE 41 HB ILE 41 25.761 -2.294 -2.294 1298 1HG1 ILE 41 2HG1 ILE 41 24.172 -3.632 -3.632 1299 2HG1 ILE 41 1HG1 ILE 41 23.751 -2.165 -2.165 1300 1HG2 ILE 41 3HG2 ILE 41 27.425 -4.175 -4.175 1301 2HG2 ILE 41 2HG2 ILE 41 25.978 -5.025 -5.025 1302 3HG2 ILE 41 1HG2 ILE 41 26.124 -4.519 -4.519 1303 1HD1 ILE 41 3HD1 ILE 41 23.990 -4.878 -4.878 1304 2HD1 ILE 41 2HD1 ILE 41 22.479 -4.178 -4.178 1305 3HD1 ILE 41 1HD1 ILE 41 23.363 -3.401 -3.401 1306 H GLY 42 HN GLY 42 27.433 -0.051 -0.051 1307 1HA GLY 42 2HA GLY 42 25.530 1.642 1.642 1308 2HA GLY 42 1HA GLY 42 26.995 2.183 2.183 1309 H TRP 43 HN TRP 43 23.658 2.057 2.057 1310 HA TRP 43 HA TRP 43 23.732 2.511 2.511 1311 1HB TRP 43 2HB TRP 43 21.389 1.759 1.759 1312 2HB TRP 43 1HB TRP 43 22.459 0.514 0.514 1313 HD1 TRP 43 1HD TRP 43 22.392 0.170 0.170 1314 HE1 TRP 43 1HE TRP 43 20.414 0.429 0.429 1315 HE3 TRP 43 3HE TRP 43 19.302 3.005 3.005 1316 HZ2 TRP 43 2HZ TRP 43 17.880 1.670 1.670 1317 HZ3 TRP 43 3HZ TRP 43 17.117 3.685 3.685 1318 HH2 TRP 43 2HH TRP 43 16.422 3.030 3.030 1319 H ALA 44 HN ALA 44 22.241 4.039 4.039 1320 HA ALA 44 HA ALA 44 21.071 5.984 5.984 1321 1HB ALA 44 3HB ALA 44 23.582 6.440 6.440 1322 2HB ALA 44 2HB ALA 44 22.461 7.385 7.385 1323 3HB ALA 44 1HB ALA 44 22.528 7.630 7.630 1324 H ILE 45 HN ILE 45 19.504 7.346 7.346 1325 HA ILE 45 HA ILE 45 18.562 6.271 6.271 1326 HB ILE 45 HB ILE 45 16.840 7.571 7.571 1327 1HG1 ILE 45 2HG1 ILE 45 17.911 5.440 5.440 1328 2HG1 ILE 45 1HG1 ILE 45 16.153 5.378 5.378 1329 1HG2 ILE 45 2HG2 ILE 45 16.189 5.956 5.956 1330 2HG2 ILE 45 1HG2 ILE 45 15.010 6.512 6.512 1331 3HG2 ILE 45 3HG2 ILE 45 15.917 7.683 7.683 1332 1HD1 ILE 45 1HD1 ILE 45 17.914 4.348 4.348 1333 2HD1 ILE 45 3HD1 ILE 45 17.386 3.353 3.353 1334 3HD1 ILE 45 2HD1 ILE 45 16.196 4.048 4.048 1335 H LYS 46 HN LYS 46 17.616 7.700 7.700 1336 HA LYS 46 HA LYS 46 17.826 10.561 10.561 1337 1HB LYS 46 2HB LYS 46 19.284 9.206 9.206 1338 2HB LYS 46 1HB LYS 46 19.130 10.943 10.943 1339 1HG LYS 46 2HG LYS 46 20.199 10.280 10.280 1340 2HG LYS 46 1HG LYS 46 20.881 9.003 9.003 1341 1HD LYS 46 2HD LYS 46 22.330 10.418 10.418 1342 2HD LYS 46 1HD LYS 46 21.043 11.554 11.554 1343 1HE LYS 46 2HE LYS 46 21.199 12.627 12.627 1344 2HE LYS 46 1HE LYS 46 22.209 11.341 11.341 1345 1HZ LYS 46 2HZ LYS 46 23.223 12.757 12.757 1346 2HZ LYS 46 1HZ LYS 46 23.205 13.611 13.611 1347 3HZ LYS 46 3HZ LYS 46 24.054 12.152 12.152 1348 H THR 47 HN THR 47 16.184 11.622 11.622 1349 HA THR 47 HA THR 47 14.677 10.231 10.231 1350 HB THR 47 HB THR 47 12.630 11.161 11.161 1351 HG1 THR 47 1HG THR 47 14.358 12.499 12.499 1352 1HG2 THR 47 2HG2 THR 47 14.271 9.954 9.954 1353 2HG2 THR 47 1HG2 THR 47 12.519 10.159 10.159 1354 3HG2 THR 47 3HG2 THR 47 13.266 9.089 9.089 1355 H THR 48 HN THR 48 13.605 11.561 11.561 1356 HA THR 48 HA THR 48 15.152 13.543 13.543 1357 HB THR 48 HB THR 48 12.869 14.217 14.217 1358 HG1 THR 48 1HG THR 48 12.123 11.685 11.685 1359 1HG2 THR 48 1HG2 THR 48 14.695 12.111 12.111 1360 2HG2 THR 48 3HG2 THR 48 13.063 11.532 11.532 1361 3HG2 THR 48 2HG2 THR 48 13.664 12.983 12.983 1362 H ASN 49 HN ASN 49 12.721 13.791 13.791 1363 HA ASN 49 HA ASN 49 13.410 16.618 16.618 1364 1HB ASN 49 2HB ASN 49 10.560 15.617 15.617 1365 2HB ASN 49 1HB ASN 49 11.109 17.283 17.283 1366 1HD2 ASN 49 2HD2 ASN 49 10.981 15.495 15.495 1367 2HD2 ASN 49 1HD2 ASN 49 11.093 14.545 14.545 1368 H MET 50 HN MET 50 14.152 16.866 16.866 1369 HA MET 50 HA MET 50 13.420 14.962 14.962 1370 1HB MET 50 2HB MET 50 15.590 16.968 16.968 1371 2HB MET 50 1HB MET 50 15.141 16.546 16.546 1372 1HG MET 50 2HG MET 50 15.565 14.279 14.279 1373 2HG MET 50 1HG MET 50 16.993 15.240 15.240 1374 1HE MET 50 3HE MET 50 14.756 12.490 12.490 1375 2HE MET 50 2HE MET 50 14.838 12.254 12.254 1376 3HE MET 50 1HE MET 50 13.843 13.547 13.547 1377 H ARG 51 HN ARG 51 11.683 17.289 17.289 1378 HA ARG 51 HA ARG 51 11.194 18.605 18.605 1379 1HB ARG 51 2HB ARG 51 9.983 19.550 19.550 1380 2HB ARG 51 1HB ARG 51 10.366 20.467 20.467 1381 1HG ARG 51 2HG ARG 51 12.343 19.384 19.384 1382 2HG ARG 51 1HG ARG 51 11.853 21.069 21.069 1383 1HD ARG 51 2HD ARG 51 12.763 21.069 21.069 1384 2HD ARG 51 1HD ARG 51 13.272 19.395 19.395 1385 HE ARG 51 HE ARG 51 14.405 20.836 20.836 1386 1HH1 ARG 51 1HH2 ARG 51 14.548 20.788 20.788 1387 2HH1 ARG 51 2HH2 ARG 51 16.180 21.365 21.365 1388 1HH2 ARG 51 1HH1 ARG 51 16.554 21.597 21.597 1389 2HH2 ARG 51 2HH1 ARG 51 17.321 21.826 21.826 1390 H ARG 52 HN ARG 52 9.503 17.204 17.204 1391 HA ARG 52 HA ARG 52 6.979 17.127 17.127 1392 1HB ARG 52 2HB ARG 52 7.988 16.039 16.039 1393 2HB ARG 52 1HB ARG 52 6.386 15.628 15.628 1394 1HG ARG 52 2HG ARG 52 7.222 18.489 18.489 1395 2HG ARG 52 1HG ARG 52 6.672 17.610 17.610 1396 1HD ARG 52 2HD ARG 52 4.616 18.220 18.220 1397 2HD ARG 52 1HD ARG 52 4.769 16.961 16.961 1398 HE ARG 52 HE ARG 52 5.881 19.149 19.149 1399 1HH1 ARG 52 1HH2 ARG 52 2.816 18.498 18.498 1400 2HH1 ARG 52 2HH2 ARG 52 1.942 19.626 19.626 1401 1HH2 ARG 52 1HH1 ARG 52 4.741 20.637 20.637 1402 2HH2 ARG 52 2HH1 ARG 52 3.037 20.842 20.842 1403 H LEU 53 HN LEU 53 9.330 14.654 14.654 1404 HA LEU 53 HA LEU 53 7.927 12.629 12.629 1405 1HB LEU 53 2HB LEU 53 10.521 12.334 12.334 1406 2HB LEU 53 1HB LEU 53 9.448 11.054 11.054 1407 HG LEU 53 HG LEU 53 8.275 13.038 13.038 1408 1HD1 LEU 53 3HD1 LEU 53 10.758 12.274 12.274 1409 2HD1 LEU 53 2HD1 LEU 53 9.839 10.917 10.917 1410 3HD1 LEU 53 1HD1 LEU 53 9.478 12.562 12.562 1411 1HD2 LEU 53 2HD2 LEU 53 7.827 10.342 10.342 1412 2HD2 LEU 53 1HD2 LEU 53 6.747 11.426 11.426 1413 3HD2 LEU 53 3HD2 LEU 53 7.885 10.409 10.409 1414 H SER 54 HN SER 54 8.817 11.483 11.483 1415 HA SER 54 HA SER 54 11.268 12.569 12.569 1416 1HB SER 54 2HB SER 54 10.114 12.441 12.441 1417 2HB SER 54 1HB SER 54 9.570 13.742 13.742 1418 HG SER 54 HG SER 54 7.717 12.656 12.656 1419 H VAL 55 HN VAL 55 12.580 10.862 10.862 1420 HA VAL 55 HA VAL 55 11.515 8.229 8.229 1421 HB VAL 55 HB VAL 55 13.862 7.517 7.517 1422 1HG1 VAL 55 3HG1 VAL 55 11.611 6.991 6.991 1423 2HG1 VAL 55 2HG1 VAL 55 11.759 8.438 8.438 1424 3HG1 VAL 55 1HG1 VAL 55 12.902 7.109 7.109 1425 1HG2 VAL 55 3HG2 VAL 55 14.356 10.094 10.094 1426 2HG2 VAL 55 2HG2 VAL 55 14.986 8.922 8.922 1427 3HG2 VAL 55 1HG2 VAL 55 13.545 9.859 9.859 1428 H ASP 56 HN ASP 56 11.911 7.560 7.560 1429 HA ASP 56 HA ASP 56 14.503 8.142 8.142 1430 1HB ASP 56 2HB ASP 56 12.013 8.468 8.468 1431 2HB ASP 56 1HB ASP 56 13.642 9.046 9.046 1432 HA PRO 57 HA PRO 57 15.699 7.556 7.556 1433 1HB PRO 57 2HB PRO 57 17.637 5.693 5.693 1434 2HB PRO 57 1HB PRO 57 16.493 6.003 6.003 1435 1HG PRO 57 2HG PRO 57 16.462 3.832 3.832 1436 2HG PRO 57 1HG PRO 57 16.155 3.722 3.722 1437 1HD PRO 57 2HD PRO 57 14.164 3.813 3.813 1438 2HD PRO 57 1HD PRO 57 13.989 4.467 4.467 1439 HA PRO 58 HA PRO 58 16.949 7.828 7.828 1440 1HB PRO 58 2HB PRO 58 18.907 9.710 9.710 1441 2HB PRO 58 1HB PRO 58 17.184 10.090 10.090 1442 1HG PRO 58 2HG PRO 58 18.940 9.785 9.785 1443 2HG PRO 58 1HG PRO 58 17.685 10.996 10.996 1444 1HD PRO 58 2HD PRO 58 17.239 8.881 8.881 1445 2HD PRO 58 1HD PRO 58 15.968 9.550 9.550 1446 H CYS 59 HN CYS 59 19.464 7.769 7.769 1447 HA CYS 59 HA CYS 59 20.930 5.801 5.801 1448 1HB CYS 59 2HB CYS 59 23.044 6.866 6.866 1449 2HB CYS 59 1HB CYS 59 21.977 8.042 8.042 1450 HG CYS 59 HG CYS 59 23.358 8.617 8.617 1451 H GLY 60 HN GLY 60 22.139 4.282 4.282 1452 1HA GLY 60 2HA GLY 60 22.448 4.366 4.366 1453 2HA GLY 60 1HA GLY 60 21.049 3.391 3.391 1454 H VAL 61 HN VAL 61 22.887 2.066 2.066 1455 HA VAL 61 HA VAL 61 24.427 0.599 0.599 1456 HB VAL 61 HB VAL 61 25.058 0.582 0.582 1457 1HG1 VAL 61 1HG1 VAL 61 26.224 -0.553 -0.553 1458 2HG1 VAL 61 3HG1 VAL 61 27.384 0.214 0.214 1459 3HG1 VAL 61 2HG1 VAL 61 26.351 -1.087 -1.087 1460 1HG2 VAL 61 1HG2 VAL 61 25.850 2.567 2.567 1461 2HG2 VAL 61 3HG2 VAL 61 25.342 2.841 2.841 1462 3HG2 VAL 61 2HG2 VAL 61 26.946 2.188 2.188 1463 H LEU 62 HN LEU 62 23.323 -1.182 -1.182 1464 HA LEU 62 HA LEU 62 21.597 -2.516 -2.516 1465 1HB LEU 62 2HB LEU 62 21.919 -2.437 -2.437 1466 2HB LEU 62 1HB LEU 62 22.048 -4.109 -4.109 1467 HG LEU 62 HG LEU 62 19.866 -3.914 -3.914 1468 1HD1 LEU 62 3HD1 LEU 62 20.308 -1.208 -1.208 1469 2HD1 LEU 62 2HD1 LEU 62 19.075 -1.467 -1.467 1470 3HD1 LEU 62 1HD1 LEU 62 18.785 -1.987 -1.987 1471 1HD2 LEU 62 2HD2 LEU 62 20.125 -3.367 -3.367 1472 2HD2 LEU 62 1HD2 LEU 62 19.661 -4.856 -4.856 1473 3HD2 LEU 62 3HD2 LEU 62 18.533 -3.502 -3.502 1474 H ASP 63 HN ASP 63 21.775 -4.812 -4.812 1475 HA ASP 63 HA ASP 63 24.586 -5.604 -5.604 1476 1HB ASP 63 2HB ASP 63 22.325 -5.584 -5.584 1477 2HB ASP 63 1HB ASP 63 22.920 -7.232 -7.232 1478 HA PRO 64 HA PRO 64 24.324 -9.304 -9.304 1479 1HB PRO 64 2HB PRO 64 24.723 -10.997 -10.997 1480 2HB PRO 64 1HB PRO 64 25.684 -10.898 -10.898 1481 1HG PRO 64 2HG PRO 64 26.574 -9.842 -9.842 1482 2HG PRO 64 1HG PRO 64 26.856 -9.036 -9.036 1483 1HD PRO 64 2HD PRO 64 24.860 -8.395 -8.395 1484 2HD PRO 64 1HD PRO 64 25.825 -7.296 -7.296 1485 H LYS 65 HN LYS 65 22.310 -9.714 -9.714 1486 HA LYS 65 HA LYS 65 20.247 -10.660 -10.660 1487 1HB LYS 65 2HB LYS 65 21.618 -12.631 -12.631 1488 2HB LYS 65 1HB LYS 65 20.818 -12.264 -12.264 1489 1HG LYS 65 2HG LYS 65 18.695 -12.789 -12.789 1490 2HG LYS 65 1HG LYS 65 19.289 -12.780 -12.780 1491 1HD LYS 65 2HD LYS 65 20.826 -14.703 -14.703 1492 2HD LYS 65 1HD LYS 65 19.719 -14.826 -14.826 1493 1HE LYS 65 2HE LYS 65 18.093 -15.745 -15.745 1494 2HE LYS 65 1HE LYS 65 18.394 -14.666 -14.666 1495 1HZ LYS 65 2HZ LYS 65 20.333 -16.052 -16.052 1496 2HZ LYS 65 1HZ LYS 65 19.920 -17.121 -17.121 1497 3HZ LYS 65 3HZ LYS 65 18.879 -16.912 -16.912 1498 H GLU 66 HN GLU 66 20.538 -8.235 -8.235 1499 HA GLU 66 HA GLU 66 18.586 -8.485 -8.485 1500 1HB GLU 66 2HB GLU 66 20.207 -7.191 -7.191 1501 2HB GLU 66 1HB GLU 66 20.817 -6.657 -6.657 1502 1HG GLU 66 2HG GLU 66 19.446 -4.833 -4.833 1503 2HG GLU 66 1HG GLU 66 18.223 -5.571 -5.571 1504 H LYS 67 HN LYS 67 16.631 -7.420 -7.420 1505 HA LYS 67 HA LYS 67 15.794 -6.427 -6.427 1506 1HB LYS 67 2HB LYS 67 13.970 -7.155 -7.155 1507 2HB LYS 67 1HB LYS 67 13.569 -7.009 -7.009 1508 1HG LYS 67 2HG LYS 67 15.096 -8.968 -8.968 1509 2HG LYS 67 1HG LYS 67 15.162 -9.174 -9.174 1510 1HD LYS 67 2HD LYS 67 12.649 -9.284 -9.284 1511 2HD LYS 67 1HD LYS 67 12.742 -9.343 -9.343 1512 1HE LYS 67 2HE LYS 67 13.652 -11.449 -11.449 1513 2HE LYS 67 1HE LYS 67 14.372 -11.268 -11.268 1514 1HZ LYS 67 3HZ LYS 67 11.646 -11.116 -11.116 1515 2HZ LYS 67 2HZ LYS 67 11.867 -12.387 -12.387 1516 3HZ LYS 67 1HZ LYS 67 12.659 -12.410 -12.410 1517 H VAL 68 HN VAL 68 14.811 -4.452 -4.452 1518 HA VAL 68 HA VAL 68 14.481 -2.738 -2.738 1519 HB VAL 68 HB VAL 68 16.740 -2.262 -2.262 1520 1HG1 VAL 68 3HG1 VAL 68 15.332 -1.769 -1.769 1521 2HG1 VAL 68 2HG1 VAL 68 16.942 -1.142 -1.142 1522 3HG1 VAL 68 1HG1 VAL 68 16.658 -2.882 -2.882 1523 1HG2 VAL 68 1HG2 VAL 68 15.109 -0.470 -0.470 1524 2HG2 VAL 68 3HG2 VAL 68 16.569 0.065 0.065 1525 3HG2 VAL 68 2HG2 VAL 68 15.024 0.054 0.054 1526 H LEU 69 HN LEU 69 13.010 -1.041 -1.041 1527 HA LEU 69 HA LEU 69 11.269 -1.342 -1.342 1528 1HB LEU 69 2HB LEU 69 10.809 -0.866 -0.866 1529 2HB LEU 69 1HB LEU 69 9.936 0.262 0.262 1530 HG LEU 69 HG LEU 69 8.511 -1.611 -1.611 1531 1HD1 LEU 69 2HD1 LEU 69 8.990 -0.654 -0.654 1532 2HD1 LEU 69 1HD1 LEU 69 9.153 -2.394 -2.394 1533 3HD1 LEU 69 3HD1 LEU 69 7.665 -1.732 -1.732 1534 1HD2 LEU 69 3HD2 LEU 69 10.817 -3.257 -3.257 1535 2HD2 LEU 69 2HD2 LEU 69 10.021 -3.333 -3.333 1536 3HD2 LEU 69 1HD2 LEU 69 9.176 -3.892 -3.892 1537 H MET 70 HN MET 70 10.636 0.409 0.409 1538 HA MET 70 HA MET 70 12.063 2.935 2.935 1539 1HB MET 70 2HB MET 70 12.671 1.388 1.388 1540 2HB MET 70 1HB MET 70 11.265 2.168 2.168 1541 1HG MET 70 2HG MET 70 12.277 4.199 4.199 1542 2HG MET 70 1HG MET 70 13.304 3.900 3.900 1543 1HE MET 70 2HE MET 70 12.360 2.044 2.044 1544 2HE MET 70 1HE MET 70 13.484 2.681 2.681 1545 3HE MET 70 3HE MET 70 13.839 1.161 1.161 1546 H ALA 71 HN ALA 71 11.006 4.873 4.873 1547 HA ALA 71 HA ALA 71 8.098 4.586 4.586 1548 1HB ALA 71 1HB ALA 71 9.554 5.998 5.998 1549 2HB ALA 71 3HB ALA 71 8.224 6.895 6.895 1550 3HB ALA 71 2HB ALA 71 7.928 5.315 5.315 1551 H VAL 72 HN VAL 72 7.597 5.393 5.393 1552 HA VAL 72 HA VAL 72 9.048 7.778 7.778 1553 HB VAL 72 HB VAL 72 9.423 5.850 5.850 1554 1HG1 VAL 72 1HG1 VAL 72 6.779 5.219 5.219 1555 2HG1 VAL 72 3HG1 VAL 72 6.775 5.616 5.616 1556 3HG1 VAL 72 2HG1 VAL 72 7.853 4.362 4.362 1557 1HG2 VAL 72 3HG2 VAL 72 8.883 8.305 8.305 1558 2HG2 VAL 72 2HG2 VAL 72 9.191 6.989 6.989 1559 3HG2 VAL 72 1HG2 VAL 72 7.534 7.480 7.480 1560 H SER 73 HN SER 73 7.646 9.247 9.247 1561 HA SER 73 HA SER 73 4.813 9.158 9.158 1562 1HB SER 73 2HB SER 73 6.394 10.328 10.328 1563 2HB SER 73 1HB SER 73 5.928 11.711 11.711 1564 HG SER 73 HG SER 73 4.462 11.117 11.117 1565 H CYS 74 HN CYS 74 3.580 10.542 10.542 1566 HA CYS 74 HA CYS 74 5.038 12.203 12.203 1567 1HB CYS 74 2HB CYS 74 3.465 11.474 11.474 1568 2HB CYS 74 1HB CYS 74 4.401 10.127 10.127 1569 HG CYS 74 HG CYS 74 1.397 10.592 10.592 1570 H ASP 75 HN ASP 75 4.489 14.222 14.222 1571 HA ASP 75 HA ASP 75 2.273 15.072 15.072 1572 1HB ASP 75 2HB ASP 75 4.235 16.378 16.378 1573 2HB ASP 75 1HB ASP 75 2.751 17.269 17.269 1574 H THR 76 HN THR 76 0.272 15.931 15.931 1575 HA THR 76 HA THR 76 -1.153 14.699 14.699 1576 HB THR 76 HB THR 76 -2.980 16.014 16.014 1577 HG1 THR 76 1HG THR 76 -1.079 17.956 17.956 1578 1HG2 THR 76 1HG2 THR 76 -1.874 14.711 14.711 1579 2HG2 THR 76 3HG2 THR 76 -1.372 16.295 16.295 1580 3HG2 THR 76 2HG2 THR 76 -3.086 15.927 15.927 1581 H PHE 77 HN PHE 77 -2.325 15.814 15.814 1582 HA PHE 77 HA PHE 77 -1.483 18.234 18.234 1583 1HB PHE 77 2HB PHE 77 -0.004 17.565 17.565 1584 2HB PHE 77 1HB PHE 77 0.663 16.961 16.961 1585 HD1 PHE 77 2HD PHE 77 0.130 14.515 14.515 1586 HD2 PHE 77 1HD PHE 77 -0.317 16.134 16.134 1587 HE1 PHE 77 2HE PHE 77 0.217 12.245 12.245 1588 HE2 PHE 77 1HE PHE 77 -0.232 13.867 13.867 1589 HZ PHE 77 HZ PHE 77 0.034 11.919 11.919 1590 H ASN 78 HN ASN 78 -1.810 17.954 17.954 1591 HA ASN 78 HA ASN 78 -4.425 16.619 16.619 1592 1HB ASN 78 2HB ASN 78 -3.466 19.298 19.298 1593 2HB ASN 78 1HB ASN 78 -4.556 18.455 18.455 1594 1HD2 ASN 78 2HD2 ASN 78 -6.189 20.547 20.547 1595 2HD2 ASN 78 1HD2 ASN 78 -4.700 20.823 20.823 1596 H ALA 79 HN ALA 79 -4.174 14.807 14.807 1597 HA ALA 79 HA ALA 79 -2.182 14.688 14.688 1598 1HB ALA 79 2HB ALA 79 -3.827 12.586 12.586 1599 2HB ALA 79 1HB ALA 79 -2.844 12.245 12.245 1600 3HB ALA 79 3HB ALA 79 -2.081 12.823 12.823 1601 H ALA 80 HN ALA 80 -4.955 16.058 16.058 1602 HA ALA 80 HA ALA 80 -6.313 14.580 14.580 1603 1HB ALA 80 3HB ALA 80 -7.036 16.577 16.577 1604 2HB ALA 80 2HB ALA 80 -7.342 17.220 17.220 1605 3HB ALA 80 1HB ALA 80 -8.077 15.694 15.694 1606 H THR 81 HN THR 81 -4.025 17.161 17.161 1607 HA THR 81 HA THR 81 -3.859 17.297 17.297 1608 HB THR 81 HB THR 81 -3.918 19.731 19.731 1609 HG1 THR 81 1HG THR 81 -4.198 20.919 20.919 1610 1HG2 THR 81 1HG2 THR 81 -6.070 18.337 18.337 1611 2HG2 THR 81 3HG2 THR 81 -6.351 18.969 18.969 1612 3HG2 THR 81 2HG2 THR 81 -6.194 20.078 20.078 1613 H GLU 82 HN GLU 82 -2.095 16.048 16.048 1614 HA GLU 82 HA GLU 82 0.286 17.710 17.710 1615 1HB GLU 82 2HB GLU 82 -0.529 16.355 16.355 1616 2HB GLU 82 1HB GLU 82 1.124 16.857 16.857 1617 1HG GLU 82 2HG GLU 82 -0.014 19.170 19.170 1618 2HG GLU 82 1HG GLU 82 -1.292 18.505 18.505 1619 H ASP 83 HN ASP 83 1.909 16.619 16.619 1620 HA ASP 83 HA ASP 83 1.588 13.955 13.955 1621 1HB ASP 83 2HB ASP 83 4.007 14.153 14.153 1622 2HB ASP 83 1HB ASP 83 2.964 15.429 15.429 1623 H LEU 84 HN LEU 84 2.227 12.045 12.045 1624 HA LEU 84 HA LEU 84 3.846 12.076 12.076 1625 1HB LEU 84 2HB LEU 84 1.391 10.418 10.418 1626 2HB LEU 84 1HB LEU 84 2.474 10.128 10.128 1627 HG LEU 84 HG LEU 84 0.966 12.708 12.708 1628 1HD1 LEU 84 1HD1 LEU 84 -0.226 10.349 10.349 1629 2HD1 LEU 84 3HD1 LEU 84 0.196 10.900 10.900 1630 3HD1 LEU 84 2HD1 LEU 84 -0.801 11.913 11.913 1631 1HD2 LEU 84 1HD2 LEU 84 3.177 12.303 12.303 1632 2HD2 LEU 84 3HD2 LEU 84 1.911 13.459 13.459 1633 3HD2 LEU 84 2HD2 LEU 84 1.926 11.862 11.862 1634 H ASN 85 HN ASN 85 5.500 11.714 11.714 1635 HA ASN 85 HA ASN 85 6.063 8.885 8.885 1636 1HB ASN 85 2HB ASN 85 4.629 9.515 9.515 1637 2HB ASN 85 1HB ASN 85 6.053 10.383 10.383 1638 1HD2 ASN 85 2HD2 ASN 85 7.713 7.567 7.567 1639 2HD2 ASN 85 1HD2 ASN 85 7.675 9.284 9.284 1640 H ASN 86 HN ASN 86 7.211 11.321 11.321 1641 HA ASN 86 HA ASN 86 9.885 11.122 11.122 1642 1HB ASN 86 2HB ASN 86 8.636 13.646 13.646 1643 2HB ASN 86 1HB ASN 86 10.264 13.497 13.497 1644 1HD2 ASN 86 2HD2 ASN 86 8.886 12.864 12.864 1645 2HD2 ASN 86 1HD2 ASN 86 9.887 12.016 12.016 1646 H ASP 87 HN ASP 87 8.188 10.294 10.294 1647 HA ASP 87 HA ASP 87 10.141 11.163 11.163 1648 1HB ASP 87 2HB ASP 87 7.372 10.076 10.076 1649 2HB ASP 87 1HB ASP 87 8.428 9.719 9.719 1650 H ARG 88 HN ARG 88 11.836 9.931 9.931 1651 HA ARG 88 HA ARG 88 11.537 7.027 7.027 1652 1HB ARG 88 2HB ARG 88 13.570 6.681 6.681 1653 2HB ARG 88 1HB ARG 88 12.345 7.527 7.527 1654 1HG ARG 88 2HG ARG 88 13.577 9.667 9.667 1655 2HG ARG 88 1HG ARG 88 14.909 8.564 8.564 1656 1HD ARG 88 2HD ARG 88 13.971 7.862 7.862 1657 2HD ARG 88 1HD ARG 88 14.040 9.623 9.623 1658 HE ARG 88 HE ARG 88 16.257 7.807 7.807 1659 1HH1 ARG 88 1HH2 ARG 88 15.179 10.985 10.985 1660 2HH1 ARG 88 2HH2 ARG 88 16.770 11.670 11.670 1661 1HH2 ARG 88 1HH1 ARG 88 18.358 8.699 8.699 1662 2HH2 ARG 88 2HH1 ARG 88 18.577 10.371 10.371 1663 H ILE 89 HN ILE 89 12.686 6.059 6.059 1664 HA ILE 89 HA ILE 89 14.309 7.795 7.795 1665 HB ILE 89 HB ILE 89 13.444 4.999 4.999 1666 1HG1 ILE 89 2HG1 ILE 89 11.869 7.547 7.547 1667 2HG1 ILE 89 1HG1 ILE 89 11.432 6.250 6.250 1668 1HG2 ILE 89 2HG2 ILE 89 14.617 7.309 7.309 1669 2HG2 ILE 89 1HG2 ILE 89 13.388 6.400 6.400 1670 3HG2 ILE 89 3HG2 ILE 89 14.828 5.580 5.580 1671 1HD1 ILE 89 3HD1 ILE 89 11.803 5.687 5.687 1672 2HD1 ILE 89 2HD1 ILE 89 10.295 6.379 6.379 1673 3HD1 ILE 89 1HD1 ILE 89 10.846 4.814 4.814 1674 H THR 90 HN THR 90 16.229 6.745 6.745 1675 HA THR 90 HA THR 90 17.549 4.775 4.775 1676 HB THR 90 HB THR 90 18.828 7.357 7.357 1677 HG1 THR 90 1HG THR 90 18.868 7.780 7.780 1678 1HG2 THR 90 3HG2 THR 90 19.986 4.900 4.900 1679 2HG2 THR 90 2HG2 THR 90 20.320 6.209 6.209 1680 3HG2 THR 90 1HG2 THR 90 20.773 6.375 6.375 1681 H ILE 91 HN ILE 91 18.325 3.159 3.159 1682 HA ILE 91 HA ILE 91 19.077 3.691 3.691 1683 HB ILE 91 HB ILE 91 18.005 1.064 1.064 1684 1HG1 ILE 91 2HG1 ILE 91 15.965 1.893 1.893 1685 2HG1 ILE 91 1HG1 ILE 91 16.585 3.486 3.486 1686 1HG2 ILE 91 1HG2 ILE 91 19.425 1.544 1.544 1687 2HG2 ILE 91 3HG2 ILE 91 17.800 1.868 1.868 1688 3HG2 ILE 91 2HG2 ILE 91 18.180 0.300 0.300 1689 1HD1 ILE 91 3HD1 ILE 91 16.557 2.321 2.321 1690 2HD1 ILE 91 2HD1 ILE 91 15.205 1.494 1.494 1691 3HD1 ILE 91 1HD1 ILE 91 15.218 3.255 3.255 1692 H GLU 92 HN GLU 92 21.218 3.582 3.582 1693 HA GLU 92 HA GLU 92 22.633 1.438 1.438 1694 1HB GLU 92 2HB GLU 92 24.640 3.106 3.106 1695 2HB GLU 92 1HB GLU 92 23.510 3.298 3.298 1696 1HG GLU 92 2HG GLU 92 22.298 4.995 4.995 1697 2HG GLU 92 1HG GLU 92 23.458 4.813 4.813 1698 H TRP 93 HN TRP 93 24.484 0.531 0.531 1699 HA TRP 93 HA TRP 93 24.981 1.170 1.170 1700 1HB TRP 93 2HB TRP 93 24.346 -0.963 -0.963 1701 2HB TRP 93 1HB TRP 93 22.952 -0.273 -0.273 1702 HD1 TRP 93 1HD TRP 93 24.982 -3.372 -3.372 1703 HE1 TRP 93 1HE TRP 93 24.266 -5.015 -5.015 1704 HE3 TRP 93 3HE TRP 93 22.119 -0.218 -0.218 1705 HZ2 TRP 93 2HZ TRP 93 22.695 -4.978 -4.978 1706 HZ3 TRP 93 3HZ TRP 93 21.045 -1.100 -1.100 1707 HH2 TRP 93 2HH TRP 93 21.328 -3.432 -3.432 1708 H THR 94 HN THR 94 26.897 0.293 0.293 1709 HA THR 94 HA THR 94 28.419 -1.470 -1.470 1710 HB THR 94 HB THR 94 29.278 0.572 0.572 1711 HG1 THR 94 1HG THR 94 30.977 -0.746 -0.746 1712 1HG2 THR 94 3HG2 THR 94 29.225 1.527 1.527 1713 2HG2 THR 94 2HG2 THR 94 30.036 2.379 2.379 1714 3HG2 THR 94 1HG2 THR 94 28.289 2.141 2.141 1715 H ASN 95 HN ASN 95 29.615 -2.944 -2.944 1716 HA ASN 95 HA ASN 95 29.230 -3.490 -3.490 1717 1HB ASN 95 2HB ASN 95 31.361 -4.886 -4.886 1718 2HB ASN 95 1HB ASN 95 30.051 -5.246 -5.246 1719 1HD2 ASN 95 2HD2 ASN 95 32.248 -5.040 -5.040 1720 2HD2 ASN 95 1HD2 ASN 95 31.008 -5.895 -5.895 1721 H THR 96 HN THR 96 29.953 -2.628 -2.628 1722 HA THR 96 HA THR 96 31.676 -0.384 -0.384 1723 HB THR 96 HB THR 96 31.484 -0.474 -0.474 1724 HG1 THR 96 1HG THR 96 31.588 -2.448 -2.448 1725 1HG2 THR 96 1HG2 THR 96 28.893 -1.302 -1.302 1726 2HG2 THR 96 3HG2 THR 96 29.064 -0.588 -0.588 1727 3HG2 THR 96 2HG2 THR 96 29.502 0.344 0.344 1728 HA PRO 97 HA PRO 97 35.691 -2.198 -2.198 1729 1HB PRO 97 2HB PRO 97 36.972 -0.413 -0.413 1730 2HB PRO 97 1HB PRO 97 36.571 -0.079 -0.079 1731 1HG PRO 97 2HG PRO 97 35.135 0.759 0.759 1732 2HG PRO 97 1HG PRO 97 35.496 1.705 1.705 1733 1HD PRO 97 2HD PRO 97 33.063 0.622 0.622 1734 2HD PRO 97 1HD PRO 97 33.741 0.786 0.786 1735 H ASP 98 HN ASP 98 37.273 -3.091 -3.091 1736 HA ASP 98 HA ASP 98 36.249 -4.767 -4.767 1737 1HB ASP 98 2HB ASP 98 38.989 -3.606 -3.606 1738 2HB ASP 98 1HB ASP 98 38.659 -4.653 -4.653 1739 H GLY 99 HN GLY 99 35.210 -4.399 -4.399 1740 1HA GLY 99 2HA GLY 99 34.486 -3.360 -3.360 1741 2HA GLY 99 1HA GLY 99 36.191 -3.021 -3.021 1742 H ALA 100 HN ALA 100 33.906 -1.829 -1.829 1743 HA ALA 100 HA ALA 100 34.869 0.766 0.766 1744 1HB ALA 100 2HB ALA 100 33.105 -0.523 -0.523 1745 2HB ALA 100 1HB ALA 100 31.960 0.319 0.319 1746 3HB ALA 100 3HB ALA 100 33.115 1.239 1.239 1747 H ALA 101 HN ALA 101 33.650 2.762 2.762 1748 HA ALA 101 HA ALA 101 33.242 2.757 2.757 1749 1HB ALA 101 3HB ALA 101 33.088 4.926 4.926 1750 2HB ALA 101 2HB ALA 101 32.797 5.203 5.203 1751 3HB ALA 101 1HB ALA 101 34.375 4.634 4.634 1752 H LYS 102 HN LYS 102 31.376 3.848 3.848 1753 HA LYS 102 HA LYS 102 28.923 2.737 2.737 1754 1HB LYS 102 2HB LYS 102 29.823 3.720 3.720 1755 2HB LYS 102 1HB LYS 102 28.115 3.922 3.922 1756 1HG LYS 102 2HG LYS 102 28.670 1.313 1.313 1757 2HG LYS 102 1HG LYS 102 29.579 1.545 1.545 1758 1HD LYS 102 2HD LYS 102 26.699 2.363 2.363 1759 2HD LYS 102 1HD LYS 102 27.161 0.715 0.715 1760 1HE LYS 102 2HE LYS 102 27.660 1.305 1.305 1761 2HE LYS 102 1HE LYS 102 28.608 2.690 2.690 1762 1HZ LYS 102 3HZ LYS 102 26.461 3.881 3.881 1763 2HZ LYS 102 2HZ LYS 102 25.676 2.584 2.584 1764 3HZ LYS 102 1HZ LYS 102 26.811 3.496 3.496 1765 H GLN 103 HN GLN 103 29.145 4.302 4.302 1766 HA GLN 103 HA GLN 103 27.165 6.232 6.232 1767 1HB GLN 103 2HB GLN 103 29.716 7.170 7.170 1768 2HB GLN 103 1HB GLN 103 29.184 8.117 8.117 1769 1HG GLN 103 2HG GLN 103 26.927 7.800 7.800 1770 2HG GLN 103 1HG GLN 103 28.264 8.173 8.173 1771 1HE2 GLN 103 2HE2 GLN 103 27.506 11.512 11.512 1772 2HE2 GLN 103 1HE2 GLN 103 27.474 10.204 10.204 1773 H PHE 104 HN PHE 104 26.527 6.368 6.368 1774 HA PHE 104 HA PHE 104 27.815 5.280 5.280 1775 1HB PHE 104 2HB PHE 104 25.446 5.842 5.842 1776 2HB PHE 104 1HB PHE 104 25.827 7.560 7.560 1777 HD1 PHE 104 2HD PHE 104 26.769 8.694 8.694 1778 HD2 PHE 104 1HD PHE 104 25.626 4.598 4.598 1779 HE1 PHE 104 2HE PHE 104 26.823 8.773 8.773 1780 HE2 PHE 104 1HE PHE 104 25.679 4.669 4.669 1781 HZ PHE 104 HZ PHE 104 26.278 6.759 6.759 1782 H ARG 105 HN ARG 105 29.573 5.811 5.811 1783 HA ARG 105 HA ARG 105 30.441 8.628 8.628 1784 1HB ARG 105 2HB ARG 105 31.835 6.589 6.589 1785 2HB ARG 105 1HB ARG 105 32.435 6.509 6.509 1786 1HG ARG 105 2HG ARG 105 33.319 8.684 8.684 1787 2HG ARG 105 1HG ARG 105 32.417 9.067 9.067 1788 1HD ARG 105 2HD ARG 105 33.784 7.674 7.674 1789 2HD ARG 105 1HD ARG 105 34.488 6.890 6.890 1790 HE ARG 105 HE ARG 105 36.020 8.576 8.576 1791 1HH1 ARG 105 1HH2 ARG 105 33.301 9.658 9.658 1792 2HH1 ARG 105 2HH2 ARG 105 34.044 11.156 11.156 1793 1HH2 ARG 105 1HH1 ARG 105 37.009 10.547 10.547 1794 2HH2 ARG 105 2HH1 ARG 105 36.153 11.661 11.661 1795 H ARG 106 HN ARG 106 31.360 9.466 9.466 1796 HA ARG 106 HA ARG 106 30.217 8.353 8.353 1797 1HB ARG 106 2HB ARG 106 30.317 10.820 10.820 1798 2HB ARG 106 1HB ARG 106 32.042 10.746 10.746 1799 1HG ARG 106 2HG ARG 106 30.800 9.567 9.567 1800 2HG ARG 106 1HG ARG 106 29.844 10.999 10.999 1801 1HD ARG 106 2HD ARG 106 32.264 12.074 12.074 1802 2HD ARG 106 1HD ARG 106 32.665 10.773 10.773 1803 HE ARG 106 HE ARG 106 31.164 13.142 13.142 1804 1HH1 ARG 106 1HH2 ARG 106 31.661 9.814 9.814 1805 2HH1 ARG 106 2HH2 ARG 106 31.097 10.030 10.030 1806 1HH2 ARG 106 1HH1 ARG 106 30.420 13.439 13.439 1807 2HH2 ARG 106 2HH1 ARG 106 30.392 12.091 12.091 1808 H GLU 107 HN GLU 107 33.248 8.183 8.183 1809 HA GLU 107 HA GLU 107 34.945 7.819 7.819 1810 1HB GLU 107 2HB GLU 107 35.209 7.854 7.854 1811 2HB GLU 107 1HB GLU 107 35.823 6.291 6.291 1812 1HG GLU 107 2HG GLU 107 37.339 7.390 7.390 1813 2HG GLU 107 1HG GLU 107 36.710 8.962 8.962 1814 H TRP 108 HN TRP 108 32.671 5.742 5.742 1815 HA TRP 108 HA TRP 108 33.738 3.240 3.240 1816 1HB TRP 108 2HB TRP 108 30.884 4.111 4.111 1817 2HB TRP 108 1HB TRP 108 31.372 2.433 2.433 1818 HD1 TRP 108 1HD TRP 108 34.163 3.320 3.320 1819 HE1 TRP 108 1HE TRP 108 33.858 3.145 3.145 1820 HE3 TRP 108 3HE TRP 108 29.054 3.274 3.274 1821 HZ2 TRP 108 2HZ TRP 108 31.733 3.006 3.006 1822 HZ3 TRP 108 3HZ TRP 108 27.964 3.117 3.117 1823 HH2 TRP 108 2HH TRP 108 29.277 2.986 2.986 1824 H PHE 109 HN PHE 109 32.443 5.692 5.692 1825 HA PHE 109 HA PHE 109 31.752 3.794 3.794 1826 1HB PHE 109 2HB PHE 109 31.135 6.718 6.718 1827 2HB PHE 109 1HB PHE 109 30.864 5.900 5.900 1828 HD1 PHE 109 1HD PHE 109 30.205 5.123 5.123 1829 HD2 PHE 109 2HD PHE 109 28.672 5.366 5.366 1830 HE1 PHE 109 1HE PHE 109 28.011 4.351 4.351 1831 HE2 PHE 109 2HE PHE 109 26.476 4.596 4.596 1832 HZ PHE 109 HZ PHE 109 26.143 4.088 4.088 1833 H GLN 110 HN GLN 110 34.125 6.108 6.108 1834 HA GLN 110 HA GLN 110 35.326 6.044 6.044 1835 1HB GLN 110 2HB GLN 110 35.809 7.945 7.945 1836 2HB GLN 110 1HB GLN 110 36.660 7.993 7.993 1837 1HG GLN 110 2HG GLN 110 33.679 8.269 8.269 1838 2HG GLN 110 1HG GLN 110 34.792 9.636 9.636 1839 1HE2 GLN 110 2HE2 GLN 110 34.715 9.836 9.836 1840 2HE2 GLN 110 1HE2 GLN 110 34.786 10.605 10.605 1841 H GLY 111 HN GLY 111 35.503 3.832 3.832 1842 1HA GLY 111 2HA GLY 111 38.406 3.890 3.890 1843 2HA GLY 111 1HA GLY 111 37.254 3.024 3.024 1844 H ASP 112 HN ASP 112 37.983 0.972 0.972 1845 HA ASP 112 HA ASP 112 38.484 -0.076 -0.076 1846 1HB ASP 112 2HB ASP 112 39.576 -0.594 -0.594 1847 2HB ASP 112 1HB ASP 112 38.699 -2.053 -2.053 1848 H GLY 113 HN GLY 113 37.408 -1.889 -1.889 1849 1HA GLY 113 2HA GLY 113 35.750 -3.613 -3.613 1850 2HA GLY 113 1HA GLY 113 34.949 -2.712 -2.712 1851 H MET 114 HN MET 114 33.051 -3.194 -3.194 1852 HA MET 114 HA MET 114 32.741 -1.075 -1.075 1853 1HB MET 114 2HB MET 114 31.078 -2.750 -2.750 1854 2HB MET 114 1HB MET 114 32.801 -2.953 -2.953 1855 1HG MET 114 2HG MET 114 31.490 -4.401 -4.401 1856 2HG MET 114 1HG MET 114 31.323 -4.999 -4.999 1857 1HE MET 114 1HE MET 114 32.408 -6.057 -6.057 1858 2HE MET 114 3HE MET 114 33.916 -6.924 -6.924 1859 3HE MET 114 2HE MET 114 33.949 -5.321 -5.321 1860 H VAL 115 HN VAL 115 30.630 -0.200 -0.200 1861 HA VAL 115 HA VAL 115 28.925 -0.651 -0.651 1862 HB VAL 115 HB VAL 115 29.027 1.889 1.889 1863 1HG1 VAL 115 3HG1 VAL 115 27.470 0.919 0.919 1864 2HG1 VAL 115 2HG1 VAL 115 28.248 2.470 2.470 1865 3HG1 VAL 115 1HG1 VAL 115 27.178 2.287 2.287 1866 1HG2 VAL 115 1HG2 VAL 115 30.778 0.944 0.944 1867 2HG2 VAL 115 3HG2 VAL 115 31.133 2.022 2.022 1868 3HG2 VAL 115 2HG2 VAL 115 30.246 2.624 2.624 1869 H ARG 116 HN ARG 116 26.804 -1.078 -1.078 1870 HA ARG 116 HA ARG 116 25.877 -1.406 -1.406 1871 1HB ARG 116 2HB ARG 116 25.798 -3.323 -3.323 1872 2HB ARG 116 1HB ARG 116 24.558 -2.428 -2.428 1873 1HG ARG 116 2HG ARG 116 23.453 -4.004 -4.004 1874 2HG ARG 116 1HG ARG 116 23.216 -2.419 -2.419 1875 1HD ARG 116 2HD ARG 116 25.216 -2.953 -2.953 1876 2HD ARG 116 1HD ARG 116 25.100 -4.605 -4.605 1877 HE ARG 116 HE ARG 116 23.384 -3.339 -3.339 1878 1HH1 ARG 116 1HH2 ARG 116 23.631 -5.860 -5.860 1879 2HH1 ARG 116 2HH2 ARG 116 22.390 -6.836 -6.836 1880 1HH2 ARG 116 1HH1 ARG 116 21.746 -4.615 -4.615 1881 2HH2 ARG 116 2HH1 ARG 116 21.318 -6.128 -6.128 1882 H ARG 117 HN ARG 117 23.782 -0.689 -0.689 1883 HA ARG 117 HA ARG 117 22.258 1.032 1.032 1884 1HB ARG 117 2HB ARG 117 24.061 2.554 2.554 1885 2HB ARG 117 1HB ARG 117 23.682 2.236 2.236 1886 1HG ARG 117 2HG ARG 117 21.315 3.082 3.082 1887 2HG ARG 117 1HG ARG 117 22.138 3.797 3.797 1888 1HD ARG 117 2HD ARG 117 22.461 4.393 4.393 1889 2HD ARG 117 1HD ARG 117 22.202 5.503 5.503 1890 HE ARG 117 HE ARG 117 24.651 4.321 4.321 1891 1HH1 ARG 117 1HH2 ARG 117 23.193 6.264 6.264 1892 2HH1 ARG 117 2HH2 ARG 117 24.683 7.012 7.012 1893 1HH2 ARG 117 1HH1 ARG 117 26.620 5.298 5.298 1894 2HH2 ARG 117 2HH1 ARG 117 26.632 6.461 6.461 1895 H LYS 118 HN LYS 118 20.174 1.199 1.199 1896 HA LYS 118 HA LYS 118 19.460 0.554 0.554 1897 1HB LYS 118 2HB LYS 118 18.487 -0.995 -0.995 1898 2HB LYS 118 1HB LYS 118 17.689 -1.040 -1.040 1899 1HG LYS 118 2HG LYS 118 20.145 -1.657 -1.657 1900 2HG LYS 118 1HG LYS 118 20.254 -2.239 -2.239 1901 1HD LYS 118 2HD LYS 118 18.164 -3.031 -3.031 1902 2HD LYS 118 1HD LYS 118 19.528 -4.019 -4.019 1903 1HE LYS 118 2HE LYS 118 18.529 -3.629 -3.629 1904 2HE LYS 118 1HE LYS 118 17.054 -3.250 -3.250 1905 1HZ LYS 118 2HZ LYS 118 18.570 -5.758 -5.758 1906 2HZ LYS 118 1HZ LYS 118 17.338 -5.628 -5.628 1907 3HZ LYS 118 3HZ LYS 118 16.990 -5.398 -5.398 1908 H ASN 119 HN ASN 119 17.797 1.751 1.751 1909 HA ASN 119 HA ASN 119 16.529 3.569 3.569 1910 1HB ASN 119 2HB ASN 119 16.233 3.509 3.509 1911 2HB ASN 119 1HB ASN 119 15.822 4.833 4.833 1912 1HD2 ASN 119 2HD2 ASN 119 19.346 5.515 5.515 1913 2HD2 ASN 119 1HD2 ASN 119 17.920 5.155 5.155 1914 H LEU 120 HN LEU 120 14.442 3.498 3.498 1915 HA LEU 120 HA LEU 120 12.833 1.272 1.272 1916 1HB LEU 120 2HB LEU 120 13.034 2.707 2.707 1917 2HB LEU 120 1HB LEU 120 11.411 2.248 2.248 1918 HG LEU 120 HG LEU 120 11.977 -0.069 -0.069 1919 1HD1 LEU 120 3HD1 LEU 120 14.695 0.959 0.959 1920 2HD1 LEU 120 2HD1 LEU 120 14.544 -0.374 -0.374 1921 3HD1 LEU 120 1HD1 LEU 120 14.011 -0.581 -0.581 1922 1HD2 LEU 120 1HD2 LEU 120 13.178 1.284 1.284 1923 2HD2 LEU 120 3HD2 LEU 120 11.494 0.807 0.807 1924 3HD2 LEU 120 2HD2 LEU 120 12.751 -0.424 -0.424 1925 HA PRO 121 HA PRO 121 10.547 4.398 4.398 1926 1HB PRO 121 2HB PRO 121 8.671 2.698 2.698 1927 2HB PRO 121 1HB PRO 121 10.296 2.870 2.870 1928 1HG PRO 121 2HG PRO 121 9.229 0.784 0.784 1929 2HG PRO 121 1HG PRO 121 10.281 0.588 0.588 1930 1HD PRO 121 2HD PRO 121 11.251 0.570 0.570 1931 2HD PRO 121 1HD PRO 121 12.171 1.252 1.252 1932 H ILE 122 HN ILE 122 9.058 5.733 5.733 1933 HA ILE 122 HA ILE 122 7.265 4.778 4.778 1934 HB ILE 122 HB ILE 122 7.658 7.606 7.606 1935 1HG1 ILE 122 2HG1 ILE 122 9.759 6.622 6.622 1936 2HG1 ILE 122 1HG1 ILE 122 9.153 7.912 7.912 1937 1HG2 ILE 122 2HG2 ILE 122 6.186 6.364 6.364 1938 2HG2 ILE 122 1HG2 ILE 122 6.816 8.005 8.005 1939 3HG2 ILE 122 3HG2 ILE 122 5.655 7.609 7.609 1940 1HD1 ILE 122 3HD1 ILE 122 8.038 5.554 5.554 1941 2HD1 ILE 122 2HD1 ILE 122 9.724 5.181 5.181 1942 3HD1 ILE 122 1HD1 ILE 122 9.327 6.525 6.525 1943 H GLU 123 HN GLU 123 5.027 5.058 5.058 1944 HA GLU 123 HA GLU 123 3.802 5.858 5.858 1945 1HB GLU 123 2HB GLU 123 3.863 3.145 3.145 1946 2HB GLU 123 1HB GLU 123 2.247 3.712 3.712 1947 1HG GLU 123 2HG GLU 123 2.594 3.415 3.415 1948 2HG GLU 123 1HG GLU 123 4.106 4.320 4.320 1949 H TYR 124 HN TYR 124 1.481 6.227 6.227 1950 HA TYR 124 HA TYR 124 0.601 6.761 6.761 1951 1HB TYR 124 2HB TYR 124 0.366 8.651 8.651 1952 2HB TYR 124 1HB TYR 124 -0.408 8.894 8.894 1953 HD1 TYR 124 1HD TYR 124 2.869 8.659 8.659 1954 HD2 TYR 124 2HD TYR 124 0.792 9.804 9.804 1955 HE1 TYR 124 1HE TYR 124 4.896 9.783 9.783 1956 HE2 TYR 124 2HE TYR 124 2.812 10.931 10.931 1957 HH TYR 124 HH TYR 124 5.651 10.426 10.426 1958 H ASN 125 HN ASN 125 -1.091 5.488 5.488 1959 HA ASN 125 HA ASN 125 -2.945 4.952 4.952 1960 1HB ASN 125 2HB ASN 125 -1.846 3.291 3.291 1961 2HB ASN 125 1HB ASN 125 -3.495 3.554 3.554 1962 1HD2 ASN 125 2HD2 ASN 125 -4.381 0.872 0.872 1963 2HD2 ASN 125 1HD2 ASN 125 -4.195 1.500 1.500 1964 H LEU 126 HN LEU 126 -4.973 5.729 5.729 1965 HA LEU 126 HA LEU 126 -5.810 7.381 7.381 1966 1HB LEU 126 2HB LEU 126 -7.154 7.391 7.391 1967 2HB LEU 126 1HB LEU 126 -7.092 8.662 8.662 1968 HG LEU 126 HG LEU 126 -4.803 7.781 7.781 1969 1HD1 LEU 126 1HD1 LEU 126 -6.917 9.758 9.758 1970 2HD1 LEU 126 3HD1 LEU 126 -5.301 10.447 10.447 1971 3HD1 LEU 126 2HD1 LEU 126 -5.793 9.115 9.115 1972 1HD2 LEU 126 3HD2 LEU 126 -4.728 9.011 9.011 1973 2HD2 LEU 126 2HD2 LEU 126 -3.411 8.857 8.857 1974 3HD2 LEU 126 1HD2 LEU 126 -4.436 10.292 10.292 Start of MODEL 2 1 1H ALA 1 3HN ALA 1 -43.844 8.814 8.814 2 2H ALA 1 2HN ALA 1 -45.378 8.751 8.751 3 3H ALA 1 1HN ALA 1 -44.826 10.216 10.216 4 HA ALA 1 HA ALA 1 -44.476 10.547 10.547 5 1HB ALA 1 3HB ALA 1 -44.968 8.118 8.118 6 2HB ALA 1 2HB ALA 1 -43.246 7.821 7.821 7 3HB ALA 1 1HB ALA 1 -43.784 8.923 8.923 8 H GLN 2 HN GLN 2 -42.560 11.315 11.315 9 HA GLN 2 HA GLN 2 -40.300 11.435 11.435 10 1HB GLN 2 2HB GLN 2 -41.187 13.558 13.558 11 2HB GLN 2 1HB GLN 2 -40.935 13.057 13.057 12 1HG GLN 2 2HG GLN 2 -38.815 13.706 13.706 13 2HG GLN 2 1HG GLN 2 -38.502 12.872 12.872 14 1HE2 GLN 2 2HE2 GLN 2 -39.377 16.846 16.846 15 2HE2 GLN 2 1HE2 GLN 2 -39.638 15.846 15.846 16 H SER 3 HN SER 3 -39.521 9.302 9.302 17 HA SER 3 HA SER 3 -38.607 8.674 8.674 18 1HB SER 3 2HB SER 3 -38.259 7.211 7.211 19 2HB SER 3 1HB SER 3 -37.755 6.588 6.588 20 HG SER 3 HG SER 3 -40.264 6.745 6.745 21 H VAL 4 HN VAL 4 -36.284 7.758 7.758 22 HA VAL 4 HA VAL 4 -34.390 9.363 9.363 23 HB VAL 4 HB VAL 4 -33.124 9.873 9.873 24 1HG1 VAL 4 3HG1 VAL 4 -35.873 11.067 11.067 25 2HG1 VAL 4 2HG1 VAL 4 -34.577 11.773 11.773 26 3HG1 VAL 4 1HG1 VAL 4 -34.383 11.602 11.602 27 1HG2 VAL 4 3HG2 VAL 4 -35.613 8.707 8.707 28 2HG2 VAL 4 2HG2 VAL 4 -33.930 8.439 8.439 29 3HG2 VAL 4 1HG2 VAL 4 -34.722 9.959 9.959 30 HA PRO 5 HA PRO 5 -32.267 5.452 5.452 31 1HB PRO 5 2HB PRO 5 -29.935 6.234 6.234 32 2HB PRO 5 1HB PRO 5 -31.427 6.107 6.107 33 1HG PRO 5 2HG PRO 5 -30.132 8.536 8.536 34 2HG PRO 5 1HG PRO 5 -30.864 8.324 8.324 35 1HD PRO 5 2HD PRO 5 -32.149 9.531 9.531 36 2HD PRO 5 1HD PRO 5 -32.997 8.639 8.639 37 HA PRO 6 HA PRO 6 -29.623 5.300 5.300 38 1HB PRO 6 2HB PRO 6 -27.706 3.510 3.510 39 2HB PRO 6 1HB PRO 6 -29.368 3.042 3.042 40 1HG PRO 6 2HG PRO 6 -28.076 3.447 3.447 41 2HG PRO 6 1HG PRO 6 -29.184 2.166 2.166 42 1HD PRO 6 2HD PRO 6 -30.003 4.285 4.285 43 2HD PRO 6 1HD PRO 6 -31.049 3.491 3.491 44 H GLY 7 HN GLY 7 -28.268 6.828 6.828 45 1HA GLY 7 2HA GLY 7 -26.720 8.493 8.493 46 2HA GLY 7 1HA GLY 7 -26.404 8.167 8.167 47 H ASP 8 HN ASP 8 -25.190 7.955 7.955 48 HA ASP 8 HA ASP 8 -23.684 5.631 5.631 49 1HB ASP 8 2HB ASP 8 -22.879 8.336 8.336 50 2HB ASP 8 1HB ASP 8 -22.208 6.783 6.783 51 H ILE 9 HN ILE 9 -22.167 4.887 4.887 52 HA ILE 9 HA ILE 9 -20.880 6.657 6.657 53 HB ILE 9 HB ILE 9 -19.936 4.620 4.620 54 1HG1 ILE 9 2HG1 ILE 9 -21.393 2.615 2.615 55 2HG1 ILE 9 1HG1 ILE 9 -20.504 3.554 3.554 56 1HG2 ILE 9 2HG2 ILE 9 -22.201 5.381 5.381 57 2HG2 ILE 9 1HG2 ILE 9 -22.872 4.292 4.292 58 3HG2 ILE 9 3HG2 ILE 9 -21.992 3.638 3.638 59 1HD1 ILE 9 2HD1 ILE 9 -19.194 2.437 2.437 60 2HD1 ILE 9 1HD1 ILE 9 -19.345 1.523 1.523 61 3HD1 ILE 9 3HD1 ILE 9 -18.437 3.034 3.034 62 H ASN 10 HN ASN 10 -18.854 7.402 7.402 63 HA ASN 10 HA ASN 10 -17.313 6.859 6.859 64 1HB ASN 10 2HB ASN 10 -17.551 9.020 9.020 65 2HB ASN 10 1HB ASN 10 -15.912 8.417 8.417 66 1HD2 ASN 10 2HD2 ASN 10 -16.548 10.829 10.829 67 2HD2 ASN 10 1HD2 ASN 10 -17.426 10.728 10.728 68 H THR 11 HN THR 11 -15.168 6.050 6.050 69 HA THR 11 HA THR 11 -14.279 4.649 4.649 70 HB THR 11 HB THR 11 -13.600 2.795 2.795 71 HG1 THR 11 1HG THR 11 -14.597 3.180 3.180 72 1HG2 THR 11 2HG2 THR 11 -15.356 2.864 2.864 73 2HG2 THR 11 1HG2 THR 11 -16.417 2.487 2.487 74 3HG2 THR 11 3HG2 THR 11 -15.032 1.453 1.453 75 H GLN 12 HN GLN 12 -12.057 4.246 4.246 76 HA GLN 12 HA GLN 12 -10.359 5.347 5.347 77 1HB GLN 12 2HB GLN 12 -10.375 6.226 6.226 78 2HB GLN 12 1HB GLN 12 -8.984 6.467 6.467 79 1HG GLN 12 2HG GLN 12 -9.899 8.242 8.242 80 2HG GLN 12 1HG GLN 12 -11.427 7.405 7.405 81 1HE2 GLN 12 2HE2 GLN 12 -12.694 9.876 9.876 82 2HE2 GLN 12 1HE2 GLN 12 -12.486 9.382 9.382 83 HA PRO 13 HA PRO 13 -8.767 4.580 4.580 84 1HB PRO 13 2HB PRO 13 -8.836 1.750 1.750 85 2HB PRO 13 1HB PRO 13 -7.703 3.032 3.032 86 1HG PRO 13 2HG PRO 13 -6.976 1.056 1.056 87 2HG PRO 13 1HG PRO 13 -6.405 2.717 2.717 88 1HD PRO 13 2HD PRO 13 -8.571 1.221 1.221 89 2HD PRO 13 1HD PRO 13 -7.340 2.320 2.320 90 H SER 14 HN SER 14 -10.207 4.595 4.595 91 HA SER 14 HA SER 14 -12.850 3.455 3.455 92 1HB SER 14 2HB SER 14 -12.234 6.106 6.106 93 2HB SER 14 1HB SER 14 -12.772 5.732 5.732 94 HG SER 14 HG SER 14 -14.437 6.386 6.386 95 H GLN 15 HN GLN 15 -10.282 3.103 3.103 96 HA GLN 15 HA GLN 15 -12.046 2.129 2.129 97 1HB GLN 15 2HB GLN 15 -10.401 4.140 4.140 98 2HB GLN 15 1HB GLN 15 -9.200 2.862 2.862 99 1HG GLN 15 2HG GLN 15 -10.256 1.907 1.907 100 2HG GLN 15 1HG GLN 15 -11.734 2.831 2.831 101 1HE2 GLN 15 2HE2 GLN 15 -10.725 5.139 5.139 102 2HE2 GLN 15 1HE2 GLN 15 -11.943 4.091 4.091 103 H LYS 16 HN LYS 16 -8.894 1.641 1.641 104 HA LYS 16 HA LYS 16 -9.263 -1.164 -1.164 105 1HB LYS 16 2HB LYS 16 -7.657 -1.966 -1.966 106 2HB LYS 16 1HB LYS 16 -8.796 -0.942 -0.942 107 1HG LYS 16 2HG LYS 16 -6.930 0.884 0.884 108 2HG LYS 16 1HG LYS 16 -5.918 -0.561 -0.561 109 1HD LYS 16 2HD LYS 16 -6.303 -0.901 -0.901 110 2HD LYS 16 1HD LYS 16 -7.881 -0.114 -0.114 111 1HE LYS 16 2HE LYS 16 -6.686 2.061 2.061 112 2HE LYS 16 1HE LYS 16 -5.172 1.204 1.204 113 1HZ LYS 16 2HZ LYS 16 -6.495 0.458 0.458 114 2HZ LYS 16 1HZ LYS 16 -7.286 1.929 1.929 115 3HZ LYS 16 3HZ LYS 16 -5.608 1.897 1.897 116 H ILE 17 HN ILE 17 -7.825 -2.090 -2.090 117 HA ILE 17 HA ILE 17 -5.762 -0.303 -0.303 118 HB ILE 17 HB ILE 17 -7.511 -0.942 -0.942 119 1HG1 ILE 17 2HG1 ILE 17 -4.826 -2.226 -2.226 120 2HG1 ILE 17 1HG1 ILE 17 -5.234 -0.535 -0.535 121 1HG2 ILE 17 3HG2 ILE 17 -6.626 -3.744 -3.744 122 2HG2 ILE 17 2HG2 ILE 17 -7.586 -3.326 -3.326 123 3HG2 ILE 17 1HG2 ILE 17 -8.232 -3.044 -3.044 124 1HD1 ILE 17 3HD1 ILE 17 -6.959 -1.293 -1.293 125 2HD1 ILE 17 2HD1 ILE 17 -6.323 -2.927 -2.927 126 3HD1 ILE 17 1HD1 ILE 17 -5.295 -1.647 -1.647 127 H VAL 18 HN VAL 18 -3.678 -1.080 -1.080 128 HA VAL 18 HA VAL 18 -3.103 -3.733 -3.733 129 HB VAL 18 HB VAL 18 -2.393 -1.979 -1.979 130 1HG1 VAL 18 1HG1 VAL 18 -1.948 -0.371 -0.371 131 2HG1 VAL 18 3HG1 VAL 18 -0.319 -1.043 -1.043 132 3HG1 VAL 18 2HG1 VAL 18 -1.009 -0.221 -0.221 133 1HG2 VAL 18 2HG2 VAL 18 -0.497 -3.821 -3.821 134 2HG2 VAL 18 1HG2 VAL 18 -0.976 -3.696 -3.696 135 3HG2 VAL 18 3HG2 VAL 18 0.216 -2.578 -2.578 136 H PHE 19 HN PHE 19 -2.729 -4.920 -4.920 137 HA PHE 19 HA PHE 19 -1.554 -4.039 -4.039 138 1HB PHE 19 2HB PHE 19 -1.889 -6.746 -6.746 139 2HB PHE 19 1HB PHE 19 -0.980 -6.571 -6.571 140 HD1 PHE 19 1HD PHE 19 -4.277 -5.815 -5.815 141 HD2 PHE 19 2HD PHE 19 -2.082 -6.534 -6.534 142 HE1 PHE 19 1HE PHE 19 -6.380 -5.869 -5.869 143 HE2 PHE 19 2HE PHE 19 -4.180 -6.592 -6.592 144 HZ PHE 19 HZ PHE 19 -6.333 -6.258 -6.258 145 H ASN 20 HN ASN 20 0.400 -3.160 -3.160 146 HA ASN 20 HA ASN 20 2.508 -3.658 -3.658 147 1HB ASN 20 2HB ASN 20 2.250 -2.082 -2.082 148 2HB ASN 20 1HB ASN 20 3.842 -2.354 -2.354 149 1HD2 ASN 20 2HD2 ASN 20 1.143 0.092 0.092 150 2HD2 ASN 20 1HD2 ASN 20 0.642 -1.042 -1.042 151 H ALA 21 HN ALA 21 4.325 -4.869 -4.869 152 HA ALA 21 HA ALA 21 4.297 -7.218 -7.218 153 1HB ALA 21 3HB ALA 21 5.935 -6.040 -6.040 154 2HB ALA 21 2HB ALA 21 6.991 -6.510 -6.510 155 3HB ALA 21 1HB ALA 21 5.947 -7.709 -7.709 156 HA PRO 22 HA PRO 22 6.312 -8.448 -8.448 157 1HB PRO 22 2HB PRO 22 7.376 -9.887 -9.887 158 2HB PRO 22 1HB PRO 22 8.303 -8.593 -8.593 159 1HG PRO 22 2HG PRO 22 6.927 -8.625 -8.625 160 2HG PRO 22 1HG PRO 22 8.454 -7.856 -7.856 161 1HD PRO 22 2HD PRO 22 5.947 -6.598 -6.598 162 2HD PRO 22 1HD PRO 22 7.398 -5.932 -5.932 163 H TYR 23 HN TYR 23 5.443 -10.601 -10.601 164 HA TYR 23 HA TYR 23 2.954 -10.652 -10.652 165 1HB TYR 23 2HB TYR 23 3.859 -12.159 -12.159 166 2HB TYR 23 1HB TYR 23 2.401 -12.586 -12.586 167 HD1 TYR 23 2HD TYR 23 0.890 -10.391 -10.391 168 HD2 TYR 23 1HD TYR 23 3.532 -10.866 -10.866 169 HE1 TYR 23 2HE TYR 23 -0.379 -8.698 -8.698 170 HE2 TYR 23 1HE TYR 23 2.272 -9.174 -9.174 171 HH TYR 23 HH TYR 23 -0.736 -8.197 -8.197 172 H ASP 24 HN ASP 24 5.602 -11.227 -11.227 173 HA ASP 24 HA ASP 24 5.412 -14.092 -14.092 174 1HB ASP 24 2HB ASP 24 7.583 -12.073 -12.073 175 2HB ASP 24 1HB ASP 24 7.626 -13.359 -13.359 176 H ASP 25 HN ASP 25 3.977 -11.464 -11.464 177 HA ASP 25 HA ASP 25 3.732 -12.641 -12.641 178 1HB ASP 25 2HB ASP 25 5.410 -10.410 -10.410 179 2HB ASP 25 1HB ASP 25 3.958 -9.794 -9.794 180 H LYS 26 HN LYS 26 1.884 -11.848 -11.848 181 HA LYS 26 HA LYS 26 -0.327 -11.282 -11.282 182 1HB LYS 26 2HB LYS 26 -0.387 -11.266 -11.266 183 2HB LYS 26 1HB LYS 26 -1.708 -11.606 -11.606 184 1HG LYS 26 2HG LYS 26 -0.017 -13.557 -13.557 185 2HG LYS 26 1HG LYS 26 0.455 -13.359 -13.359 186 1HD LYS 26 2HD LYS 26 -1.939 -13.594 -13.594 187 2HD LYS 26 1HD LYS 26 -2.312 -13.937 -13.937 188 1HE LYS 26 2HE LYS 26 -1.968 -16.082 -16.082 189 2HE LYS 26 1HE LYS 26 -0.253 -15.677 -15.677 190 1HZ LYS 26 2HZ LYS 26 -1.893 -15.306 -15.306 191 2HZ LYS 26 1HZ LYS 26 -1.289 -16.837 -16.837 192 3HZ LYS 26 3HZ LYS 26 -0.223 -15.548 -15.548 193 H HIS 27 HN HIS 27 -0.581 -9.293 -9.293 194 HA HIS 27 HA HIS 27 -0.161 -7.008 -7.008 195 1HB HIS 27 2HB HIS 27 -0.196 -6.986 -6.986 196 2HB HIS 27 1HB HIS 27 0.226 -5.644 -5.644 197 HD1 HIS 27 1HD HIS 27 2.379 -6.499 -6.499 198 HD2 HIS 27 2HD HIS 27 1.997 -8.090 -8.090 199 HE1 HIS 27 1HE HIS 27 4.653 -7.419 -7.419 200 H THR 28 HN THR 28 -1.789 -5.604 -5.604 201 HA THR 28 HA THR 28 -4.384 -6.215 -6.215 202 HB THR 28 HB THR 28 -3.898 -4.767 -4.767 203 HG1 THR 28 1HG THR 28 -3.508 -6.659 -6.659 204 1HG2 THR 28 2HG2 THR 28 -6.352 -5.860 -5.860 205 2HG2 THR 28 1HG2 THR 28 -6.259 -5.620 -5.620 206 3HG2 THR 28 3HG2 THR 28 -6.068 -4.247 -4.247 207 H TYR 29 HN TYR 29 -4.731 -4.866 -4.866 208 HA TYR 29 HA TYR 29 -3.827 -2.099 -2.099 209 1HB TYR 29 2HB TYR 29 -4.937 -3.805 -3.805 210 2HB TYR 29 1HB TYR 29 -4.768 -2.061 -2.061 211 HD1 TYR 29 1HD TYR 29 -2.819 -5.130 -5.130 212 HD2 TYR 29 2HD TYR 29 -2.733 -1.146 -1.146 213 HE1 TYR 29 1HE TYR 29 -0.466 -5.430 -5.430 214 HE2 TYR 29 2HE TYR 29 -0.380 -1.434 -1.434 215 HH TYR 29 HH TYR 29 1.549 -3.879 -3.879 216 H HIS 30 HN HIS 30 -5.118 -0.665 -0.665 217 HA HIS 30 HA HIS 30 -7.938 -1.140 -1.140 218 1HB HIS 30 2HB HIS 30 -6.480 1.407 1.407 219 2HB HIS 30 1HB HIS 30 -7.975 0.791 0.791 220 HD1 HIS 30 1HD HIS 30 -4.242 0.243 0.243 221 HD2 HIS 30 2HD HIS 30 -7.685 -0.988 -0.988 222 HE1 HIS 30 1HE HIS 30 -3.472 -1.001 -1.001 223 H ILE 31 HN ILE 31 -9.610 0.272 0.272 224 HA ILE 31 HA ILE 31 -8.933 1.930 1.930 225 HB ILE 31 HB ILE 31 -11.390 0.185 0.185 226 1HG1 ILE 31 2HG1 ILE 31 -8.879 -0.334 -0.334 227 2HG1 ILE 31 1HG1 ILE 31 -9.256 -1.142 -1.142 228 1HG2 ILE 31 1HG2 ILE 31 -11.329 2.298 2.298 229 2HG2 ILE 31 3HG2 ILE 31 -10.156 1.447 1.447 230 3HG2 ILE 31 2HG2 ILE 31 -11.783 0.797 0.797 231 1HD1 ILE 31 3HD1 ILE 31 -11.092 -1.233 -1.233 232 2HD1 ILE 31 2HD1 ILE 31 -9.792 -2.398 -2.398 233 3HD1 ILE 31 1HD1 ILE 31 -11.094 -2.265 -2.265 234 H LYS 32 HN LYS 32 -10.244 3.742 3.742 235 HA LYS 32 HA LYS 32 -11.799 4.537 4.537 236 1HB LYS 32 2HB LYS 32 -9.985 6.041 6.041 237 2HB LYS 32 1HB LYS 32 -10.622 6.193 6.193 238 1HG LYS 32 2HG LYS 32 -12.380 7.529 7.529 239 2HG LYS 32 1HG LYS 32 -12.323 6.953 6.953 240 1HD LYS 32 2HD LYS 32 -10.447 8.262 8.262 241 2HD LYS 32 1HD LYS 32 -10.061 8.523 8.523 242 1HE LYS 32 2HE LYS 32 -11.593 10.188 10.188 243 2HE LYS 32 1HE LYS 32 -12.695 9.486 9.486 244 1HZ LYS 32 1HZ LYS 32 -10.130 10.789 10.789 245 2HZ LYS 32 3HZ LYS 32 -11.616 11.600 11.600 246 3HZ LYS 32 2HZ LYS 32 -11.370 10.313 10.313 247 H ILE 33 HN ILE 33 -13.937 4.706 4.706 248 HA ILE 33 HA ILE 33 -15.248 4.868 4.868 249 HB ILE 33 HB ILE 33 -16.418 3.440 3.440 250 1HG1 ILE 33 2HG1 ILE 33 -15.160 2.082 2.082 251 2HG1 ILE 33 1HG1 ILE 33 -14.240 2.433 2.433 252 1HG2 ILE 33 1HG2 ILE 33 -17.152 3.700 3.700 253 2HG2 ILE 33 3HG2 ILE 33 -17.753 2.369 2.369 254 3HG2 ILE 33 2HG2 ILE 33 -18.134 4.035 4.035 255 1HD1 ILE 33 3HD1 ILE 33 -16.417 1.195 1.195 256 2HD1 ILE 33 2HD1 ILE 33 -16.246 0.371 0.371 257 3HD1 ILE 33 1HD1 ILE 33 -14.900 0.394 0.394 258 H THR 34 HN THR 34 -17.394 5.830 5.830 259 HA THR 34 HA THR 34 -18.165 7.377 7.377 260 HB THR 34 HB THR 34 -17.251 8.756 8.756 261 HG1 THR 34 1HG THR 34 -15.505 9.157 9.157 262 1HG2 THR 34 3HG2 THR 34 -18.594 9.879 9.879 263 2HG2 THR 34 2HG2 THR 34 -17.708 10.851 10.851 264 3HG2 THR 34 1HG2 THR 34 -19.148 9.961 9.961 265 H ASN 35 HN ASN 35 -20.249 8.340 8.340 266 HA ASN 35 HA ASN 35 -21.830 7.200 7.200 267 1HB ASN 35 2HB ASN 35 -22.478 6.243 6.243 268 2HB ASN 35 1HB ASN 35 -22.647 7.846 7.846 269 1HD2 ASN 35 2HD2 ASN 35 -25.881 8.349 8.349 270 2HD2 ASN 35 1HD2 ASN 35 -24.507 8.948 8.948 271 H ALA 36 HN ALA 36 -21.190 9.114 9.114 272 HA ALA 36 HA ALA 36 -21.536 11.735 11.735 273 1HB ALA 36 1HB ALA 36 -22.345 10.288 10.288 274 2HB ALA 36 3HB ALA 36 -22.116 12.032 12.032 275 3HB ALA 36 2HB ALA 36 -20.752 10.942 10.942 276 H GLY 37 HN GLY 37 -24.123 9.409 9.409 277 1HA GLY 37 2HA GLY 37 -26.267 11.154 11.154 278 2HA GLY 37 1HA GLY 37 -26.390 9.581 9.581 279 H GLY 38 HN GLY 38 -28.112 11.359 11.359 280 1HA GLY 38 2HA GLY 38 -26.911 12.466 12.466 281 2HA GLY 38 1HA GLY 38 -28.352 13.105 13.105 282 H ARG 39 HN ARG 39 -27.674 9.691 9.691 283 HA ARG 39 HA ARG 39 -29.422 9.556 9.556 284 1HB ARG 39 2HB ARG 39 -30.218 7.872 7.872 285 2HB ARG 39 1HB ARG 39 -31.159 8.309 8.309 286 1HG ARG 39 2HG ARG 39 -31.403 10.570 10.570 287 2HG ARG 39 1HG ARG 39 -30.357 10.219 10.219 288 1HD ARG 39 2HD ARG 39 -32.121 9.532 9.532 289 2HD ARG 39 1HD ARG 39 -32.409 8.268 8.268 290 HE ARG 39 HE ARG 39 -34.169 9.487 9.487 291 1HH1 ARG 39 1HH2 ARG 39 -32.079 11.595 11.595 292 2HH1 ARG 39 2HH2 ARG 39 -33.151 12.952 12.952 293 1HH2 ARG 39 1HH1 ARG 39 -35.589 11.267 11.267 294 2HH2 ARG 39 2HH1 ARG 39 -35.147 12.765 12.765 295 H ARG 40 HN ARG 40 -29.731 7.171 7.171 296 HA ARG 40 HA ARG 40 -27.126 5.998 5.998 297 1HB ARG 40 2HB ARG 40 -29.841 5.266 5.266 298 2HB ARG 40 1HB ARG 40 -28.505 4.130 4.130 299 1HG ARG 40 2HG ARG 40 -27.209 5.847 5.847 300 2HG ARG 40 1HG ARG 40 -28.626 6.898 6.898 301 1HD ARG 40 2HD ARG 40 -28.630 4.135 4.135 302 2HD ARG 40 1HD ARG 40 -28.321 5.601 5.601 303 HE ARG 40 HE ARG 40 -30.683 6.112 6.112 304 1HH1 ARG 40 1HH2 ARG 40 -29.512 3.514 3.514 305 2HH1 ARG 40 2HH2 ARG 40 -31.067 3.157 3.157 306 1HH2 ARG 40 1HH1 ARG 40 -32.738 5.649 5.649 307 2HH2 ARG 40 2HH1 ARG 40 -32.901 4.370 4.370 308 H ILE 41 HN ILE 41 -26.514 3.890 3.890 309 HA ILE 41 HA ILE 41 -28.207 2.550 2.550 310 HB ILE 41 HB ILE 41 -26.326 2.448 2.448 311 1HG1 ILE 41 2HG1 ILE 41 -25.232 4.915 4.915 312 2HG1 ILE 41 1HG1 ILE 41 -24.684 3.327 3.327 313 1HG2 ILE 41 1HG2 ILE 41 -28.365 4.081 4.081 314 2HG2 ILE 41 3HG2 ILE 41 -27.119 5.303 5.303 315 3HG2 ILE 41 2HG2 ILE 41 -27.075 4.294 4.294 316 1HD1 ILE 41 1HD1 ILE 41 -24.542 4.342 4.342 317 2HD1 ILE 41 3HD1 ILE 41 -23.209 4.354 4.354 318 3HD1 ILE 41 2HD1 ILE 41 -23.891 2.821 2.821 319 H GLY 42 HN GLY 42 -27.771 0.393 0.393 320 1HA GLY 42 2HA GLY 42 -25.800 -0.714 -0.714 321 2HA GLY 42 1HA GLY 42 -27.166 -1.584 -1.584 322 H TRP 43 HN TRP 43 -23.849 -0.981 -0.981 323 HA TRP 43 HA TRP 43 -23.759 -2.036 -2.036 324 1HB TRP 43 2HB TRP 43 -21.462 -1.133 -1.133 325 2HB TRP 43 1HB TRP 43 -22.657 0.117 0.117 326 HD1 TRP 43 1HD TRP 43 -22.265 1.578 1.578 327 HE1 TRP 43 1HE TRP 43 -20.594 1.544 1.544 328 HE3 TRP 43 3HE TRP 43 -20.066 -2.951 -2.951 329 HZ2 TRP 43 2HZ TRP 43 -18.607 -0.176 -0.176 330 HZ3 TRP 43 3HZ TRP 43 -18.288 -3.717 -3.717 331 HH2 TRP 43 2HH TRP 43 -17.575 -2.356 -2.356 332 H ALA 44 HN ALA 44 -22.107 -3.560 -3.560 333 HA ALA 44 HA ALA 44 -20.879 -5.055 -5.055 334 1HB ALA 44 2HB ALA 44 -23.262 -5.946 -5.946 335 2HB ALA 44 1HB ALA 44 -22.449 -6.637 -6.637 336 3HB ALA 44 3HB ALA 44 -21.928 -7.079 -7.079 337 H ILE 45 HN ILE 45 -19.231 -6.523 -6.523 338 HA ILE 45 HA ILE 45 -18.315 -5.941 -5.941 339 HB ILE 45 HB ILE 45 -16.410 -6.578 -6.578 340 1HG1 ILE 45 2HG1 ILE 45 -17.609 -4.652 -4.652 341 2HG1 ILE 45 1HG1 ILE 45 -16.043 -4.111 -4.111 342 1HG2 ILE 45 2HG2 ILE 45 -15.895 -6.579 -6.579 343 2HG2 ILE 45 1HG2 ILE 45 -15.880 -4.825 -4.825 344 3HG2 ILE 45 3HG2 ILE 45 -14.763 -5.821 -5.821 345 1HD1 ILE 45 3HD1 ILE 45 -18.072 -4.009 -4.009 346 2HD1 ILE 45 2HD1 ILE 45 -18.511 -3.057 -3.057 347 3HD1 ILE 45 1HD1 ILE 45 -16.987 -2.748 -2.748 348 H LYS 46 HN LYS 46 -17.402 -7.600 -7.600 349 HA LYS 46 HA LYS 46 -17.123 -10.232 -10.232 350 1HB LYS 46 2HB LYS 46 -18.503 -11.199 -11.199 351 2HB LYS 46 1HB LYS 46 -19.375 -10.468 -10.468 352 1HG LYS 46 2HG LYS 46 -20.175 -8.780 -8.780 353 2HG LYS 46 1HG LYS 46 -18.711 -8.674 -8.674 354 1HD LYS 46 2HD LYS 46 -20.457 -11.076 -11.076 355 2HD LYS 46 1HD LYS 46 -20.965 -9.563 -9.563 356 1HE LYS 46 2HE LYS 46 -19.687 -10.167 -10.167 357 2HE LYS 46 1HE LYS 46 -18.312 -9.754 -9.754 358 1HZ LYS 46 2HZ LYS 46 -19.235 -12.370 -12.370 359 2HZ LYS 46 1HZ LYS 46 -18.905 -12.223 -12.223 360 3HZ LYS 46 3HZ LYS 46 -17.704 -11.869 -11.869 361 H THR 47 HN THR 47 -15.548 -11.420 -11.420 362 HA THR 47 HA THR 47 -14.387 -10.376 -10.376 363 HB THR 47 HB THR 47 -12.227 -10.766 -10.766 364 HG1 THR 47 1HG THR 47 -11.796 -12.467 -12.467 365 1HG2 THR 47 1HG2 THR 47 -13.632 -9.057 -9.057 366 2HG2 THR 47 3HG2 THR 47 -13.307 -10.226 -10.226 367 3HG2 THR 47 2HG2 THR 47 -11.969 -9.468 -9.468 368 H THR 48 HN THR 48 -13.347 -11.928 -11.928 369 HA THR 48 HA THR 48 -14.869 -14.112 -14.112 370 HB THR 48 HB THR 48 -12.678 -14.932 -14.932 371 HG1 THR 48 1HG THR 48 -10.996 -13.916 -13.916 372 1HG2 THR 48 3HG2 THR 48 -14.258 -12.528 -12.528 373 2HG2 THR 48 2HG2 THR 48 -12.698 -12.658 -12.658 374 3HG2 THR 48 1HG2 THR 48 -13.898 -13.937 -13.937 375 H ASN 49 HN ASN 49 -11.658 -14.345 -14.345 376 HA ASN 49 HA ASN 49 -12.366 -16.992 -16.992 377 1HB ASN 49 2HB ASN 49 -9.942 -15.759 -15.759 378 2HB ASN 49 1HB ASN 49 -9.714 -16.332 -16.332 379 1HD2 ASN 49 2HD2 ASN 49 -9.023 -19.489 -19.489 380 2HD2 ASN 49 1HD2 ASN 49 -8.602 -18.149 -18.149 381 H MET 50 HN MET 50 -13.244 -17.097 -17.097 382 HA MET 50 HA MET 50 -12.705 -14.997 -14.997 383 1HB MET 50 2HB MET 50 -14.715 -17.250 -17.250 384 2HB MET 50 1HB MET 50 -14.523 -16.156 -16.156 385 1HG MET 50 2HG MET 50 -14.795 -14.573 -14.573 386 2HG MET 50 1HG MET 50 -16.048 -15.810 -15.810 387 1HE MET 50 1HE MET 50 -14.832 -12.736 -12.736 388 2HE MET 50 3HE MET 50 -16.345 -11.985 -11.985 389 3HE MET 50 2HE MET 50 -15.137 -12.435 -12.435 390 H ARG 51 HN ARG 51 -10.788 -17.205 -17.205 391 HA ARG 51 HA ARG 51 -10.504 -18.508 -18.508 392 1HB ARG 51 2HB ARG 51 -8.872 -19.267 -19.267 393 2HB ARG 51 1HB ARG 51 -9.374 -20.258 -20.258 394 1HG ARG 51 2HG ARG 51 -11.243 -19.232 -19.232 395 2HG ARG 51 1HG ARG 51 -10.488 -20.827 -20.827 396 1HD ARG 51 2HD ARG 51 -11.604 -20.579 -20.579 397 2HD ARG 51 1HD ARG 51 -12.809 -19.903 -19.903 398 HE ARG 51 HE ARG 51 -11.897 -22.329 -22.329 399 1HH1 ARG 51 1HH2 ARG 51 -13.737 -21.128 -21.128 400 2HH1 ARG 51 2HH2 ARG 51 -14.699 -22.560 -22.560 401 1HH2 ARG 51 1HH1 ARG 51 -13.158 -24.224 -24.224 402 2HH2 ARG 51 2HH1 ARG 51 -14.369 -24.321 -24.321 403 H ARG 52 HN ARG 52 -8.725 -16.688 -16.688 404 HA ARG 52 HA ARG 52 -6.474 -16.362 -16.362 405 1HB ARG 52 2HB ARG 52 -6.872 -15.802 -15.802 406 2HB ARG 52 1HB ARG 52 -5.511 -15.113 -15.113 407 1HG ARG 52 2HG ARG 52 -4.761 -17.358 -17.358 408 2HG ARG 52 1HG ARG 52 -6.125 -18.049 -18.049 409 1HD ARG 52 2HD ARG 52 -3.887 -16.396 -16.396 410 2HD ARG 52 1HD ARG 52 -4.112 -18.135 -18.135 411 HE ARG 52 HE ARG 52 -6.426 -17.042 -17.042 412 1HH1 ARG 52 1HH2 ARG 52 -3.042 -16.648 -16.648 413 2HH1 ARG 52 2HH2 ARG 52 -3.309 -16.245 -16.245 414 1HH2 ARG 52 1HH1 ARG 52 -6.789 -16.510 -16.510 415 2HH2 ARG 52 2HH1 ARG 52 -5.440 -16.166 -16.166 416 H LEU 53 HN LEU 53 -8.651 -14.334 -14.334 417 HA LEU 53 HA LEU 53 -7.789 -11.914 -11.914 418 1HB LEU 53 2HB LEU 53 -10.313 -12.275 -12.275 419 2HB LEU 53 1HB LEU 53 -9.385 -10.806 -10.806 420 HG LEU 53 HG LEU 53 -8.561 -13.202 -13.202 421 1HD1 LEU 53 3HD1 LEU 53 -10.235 -11.120 -11.120 422 2HD1 LEU 53 2HD1 LEU 53 -8.668 -10.589 -10.589 423 3HD1 LEU 53 1HD1 LEU 53 -9.343 -12.133 -12.133 424 1HD2 LEU 53 1HD2 LEU 53 -6.632 -12.217 -12.217 425 2HD2 LEU 53 3HD2 LEU 53 -6.600 -11.877 -11.877 426 3HD2 LEU 53 2HD2 LEU 53 -7.091 -10.621 -10.621 427 H SER 54 HN SER 54 -8.775 -10.747 -10.747 428 HA SER 54 HA SER 54 -11.217 -11.865 -11.865 429 1HB SER 54 2HB SER 54 -8.592 -11.314 -11.314 430 2HB SER 54 1HB SER 54 -10.086 -11.116 -11.116 431 HG SER 54 HG SER 54 -8.891 -13.422 -13.422 432 H VAL 55 HN VAL 55 -12.750 -10.386 -10.386 433 HA VAL 55 HA VAL 55 -12.003 -7.553 -7.553 434 HB VAL 55 HB VAL 55 -14.591 -7.346 -7.346 435 1HG1 VAL 55 3HG1 VAL 55 -12.535 -8.181 -8.181 436 2HG1 VAL 55 2HG1 VAL 55 -14.206 -7.939 -7.939 437 3HG1 VAL 55 1HG1 VAL 55 -13.307 -6.612 -6.612 438 1HG2 VAL 55 2HG2 VAL 55 -15.030 -9.729 -9.729 439 2HG2 VAL 55 1HG2 VAL 55 -15.645 -9.229 -9.229 440 3HG2 VAL 55 3HG2 VAL 55 -14.155 -10.168 -10.168 441 H ASP 56 HN ASP 56 -12.602 -6.106 -6.106 442 HA ASP 56 HA ASP 56 -14.464 -6.702 -6.702 443 1HB ASP 56 2HB ASP 56 -12.221 -8.001 -8.001 444 2HB ASP 56 1HB ASP 56 -11.702 -6.422 -6.422 445 HA PRO 57 HA PRO 57 -15.581 -5.684 -5.684 446 1HB PRO 57 2HB PRO 57 -17.377 -3.470 -3.470 447 2HB PRO 57 1HB PRO 57 -16.977 -4.148 -4.148 448 1HG PRO 57 2HG PRO 57 -16.144 -1.699 -1.699 449 2HG PRO 57 1HG PRO 57 -15.189 -2.735 -2.735 450 1HD PRO 57 2HD PRO 57 -14.864 -2.246 -2.246 451 2HD PRO 57 1HD PRO 57 -13.623 -2.362 -2.362 452 HA PRO 58 HA PRO 58 -16.993 -7.385 -7.385 453 1HB PRO 58 2HB PRO 58 -19.133 -8.515 -8.515 454 2HB PRO 58 1HB PRO 58 -18.058 -9.332 -9.332 455 1HG PRO 58 2HG PRO 58 -17.660 -9.541 -9.541 456 2HG PRO 58 1HG PRO 58 -16.291 -9.388 -9.388 457 1HD PRO 58 2HD PRO 58 -17.509 -7.335 -7.335 458 2HD PRO 58 1HD PRO 58 -15.804 -7.605 -7.605 459 H CYS 59 HN CYS 59 -19.394 -6.136 -6.136 460 HA CYS 59 HA CYS 59 -20.683 -4.692 -4.692 461 1HB CYS 59 2HB CYS 59 -22.375 -6.083 -6.083 462 2HB CYS 59 1HB CYS 59 -22.840 -5.472 -5.472 463 HG CYS 59 HG CYS 59 -22.376 -7.675 -7.675 464 H GLY 60 HN GLY 60 -21.528 -2.717 -2.717 465 1HA GLY 60 2HA GLY 60 -21.755 -1.989 -1.989 466 2HA GLY 60 1HA GLY 60 -20.504 -1.151 -1.151 467 H VAL 61 HN VAL 61 -22.769 0.043 0.043 468 HA VAL 61 HA VAL 61 -24.408 0.897 0.897 469 HB VAL 61 HB VAL 61 -24.934 1.572 1.572 470 1HG1 VAL 61 1HG1 VAL 61 -26.089 2.878 2.878 471 2HG1 VAL 61 3HG1 VAL 61 -26.781 1.381 1.381 472 3HG1 VAL 61 2HG1 VAL 61 -27.198 1.937 1.937 473 1HG2 VAL 61 1HG2 VAL 61 -24.765 -0.900 -0.900 474 2HG2 VAL 61 3HG2 VAL 61 -26.355 -0.342 -0.342 475 3HG2 VAL 61 2HG2 VAL 61 -26.083 -0.780 -0.780 476 H LEU 62 HN LEU 62 -23.772 2.691 2.691 477 HA LEU 62 HA LEU 62 -22.074 4.604 4.604 478 1HB LEU 62 2HB LEU 62 -22.684 3.904 3.904 479 2HB LEU 62 1HB LEU 62 -22.619 5.637 5.637 480 HG LEU 62 HG LEU 62 -20.383 3.996 3.996 481 1HD1 LEU 62 1HD1 LEU 62 -21.162 3.621 3.621 482 2HD1 LEU 62 3HD1 LEU 62 -19.903 4.852 4.852 483 3HD1 LEU 62 2HD1 LEU 62 -19.560 3.307 3.307 484 1HD2 LEU 62 2HD2 LEU 62 -20.790 6.575 6.575 485 2HD2 LEU 62 1HD2 LEU 62 -19.173 5.941 5.941 486 3HD2 LEU 62 3HD2 LEU 62 -20.151 6.552 6.552 487 H ASP 63 HN ASP 63 -22.528 6.893 6.893 488 HA ASP 63 HA ASP 63 -25.414 7.445 7.445 489 1HB ASP 63 2HB ASP 63 -23.216 7.984 7.984 490 2HB ASP 63 1HB ASP 63 -23.983 9.494 9.494 491 HA PRO 64 HA PRO 64 -25.420 10.794 10.794 492 1HB PRO 64 2HB PRO 64 -25.614 12.870 12.870 493 2HB PRO 64 1HB PRO 64 -26.699 12.538 12.538 494 1HG PRO 64 2HG PRO 64 -27.384 11.885 11.885 495 2HG PRO 64 1HG PRO 64 -27.799 10.835 10.835 496 1HD PRO 64 2HD PRO 64 -25.628 10.532 10.532 497 2HD PRO 64 1HD PRO 64 -26.669 9.294 9.294 498 H LYS 65 HN LYS 65 -23.479 11.053 11.053 499 HA LYS 65 HA LYS 65 -21.392 11.820 11.820 500 1HB LYS 65 2HB LYS 65 -21.875 14.066 14.066 501 2HB LYS 65 1HB LYS 65 -20.965 14.089 14.089 502 1HG LYS 65 2HG LYS 65 -23.077 13.805 13.805 503 2HG LYS 65 1HG LYS 65 -23.955 13.893 13.893 504 1HD LYS 65 2HD LYS 65 -24.087 16.076 16.076 505 2HD LYS 65 1HD LYS 65 -22.649 16.136 16.136 506 1HE LYS 65 2HE LYS 65 -21.737 17.125 17.125 507 2HE LYS 65 1HE LYS 65 -21.529 15.460 15.460 508 1HZ LYS 65 2HZ LYS 65 -23.727 15.690 15.690 509 2HZ LYS 65 1HZ LYS 65 -23.697 17.339 17.339 510 3HZ LYS 65 3HZ LYS 65 -22.512 16.677 16.677 511 H GLU 66 HN GLU 66 -21.520 9.873 9.873 512 HA GLU 66 HA GLU 66 -19.521 10.729 10.729 513 1HB GLU 66 2HB GLU 66 -21.742 8.830 8.830 514 2HB GLU 66 1HB GLU 66 -20.252 8.149 8.149 515 1HG GLU 66 2HG GLU 66 -20.515 10.716 10.716 516 2HG GLU 66 1HG GLU 66 -22.093 9.940 9.940 517 H LYS 67 HN LYS 67 -17.709 9.354 9.354 518 HA LYS 67 HA LYS 67 -16.866 7.789 7.789 519 1HB LYS 67 2HB LYS 67 -14.986 9.061 9.061 520 2HB LYS 67 1HB LYS 67 -14.632 8.473 8.473 521 1HG LYS 67 2HG LYS 67 -16.044 10.292 10.292 522 2HG LYS 67 1HG LYS 67 -16.235 10.914 10.914 523 1HD LYS 67 2HD LYS 67 -13.669 10.936 10.936 524 2HD LYS 67 1HD LYS 67 -13.750 10.765 10.765 525 1HE LYS 67 2HE LYS 67 -13.633 13.060 13.060 526 2HE LYS 67 1HE LYS 67 -15.368 12.785 12.785 527 1HZ LYS 67 1HZ LYS 67 -14.549 12.583 12.583 528 2HZ LYS 67 3HZ LYS 67 -14.043 14.063 14.063 529 3HZ LYS 67 2HZ LYS 67 -15.678 13.633 13.633 530 H VAL 68 HN VAL 68 -15.897 5.805 5.805 531 HA VAL 68 HA VAL 68 -15.735 4.785 4.785 532 HB VAL 68 HB VAL 68 -16.606 2.578 2.578 533 1HG1 VAL 68 3HG1 VAL 68 -18.213 5.039 5.039 534 2HG1 VAL 68 2HG1 VAL 68 -19.049 3.587 3.587 535 3HG1 VAL 68 1HG1 VAL 68 -18.132 3.561 3.561 536 1HG2 VAL 68 1HG2 VAL 68 -17.035 4.308 4.308 537 2HG2 VAL 68 3HG2 VAL 68 -16.599 2.603 2.603 538 3HG2 VAL 68 2HG2 VAL 68 -18.265 3.104 3.104 539 H LEU 69 HN LEU 69 -14.249 3.069 3.069 540 HA LEU 69 HA LEU 69 -12.120 3.036 3.036 541 1HB LEU 69 2HB LEU 69 -12.157 3.162 3.162 542 2HB LEU 69 1HB LEU 69 -11.451 1.614 1.614 543 HG LEU 69 HG LEU 69 -10.482 4.273 4.273 544 1HD1 LEU 69 1HD1 LEU 69 -9.800 2.696 2.696 545 2HD1 LEU 69 3HD1 LEU 69 -8.474 3.441 3.441 546 3HD1 LEU 69 2HD1 LEU 69 -9.783 4.440 4.440 547 1HD2 LEU 69 3HD2 LEU 69 -9.584 1.436 1.436 548 2HD2 LEU 69 2HD2 LEU 69 -9.843 2.682 2.682 549 3HD2 LEU 69 1HD2 LEU 69 -8.445 2.774 2.774 550 H MET 70 HN MET 70 -11.346 1.195 1.195 551 HA MET 70 HA MET 70 -12.777 -1.314 -1.314 552 1HB MET 70 2HB MET 70 -12.968 0.161 0.161 553 2HB MET 70 1HB MET 70 -11.811 -1.105 -1.105 554 1HG MET 70 2HG MET 70 -13.731 -2.541 -2.541 555 2HG MET 70 1HG MET 70 -14.695 -1.267 -1.267 556 1HE MET 70 3HE MET 70 -13.399 -0.395 -0.395 557 2HE MET 70 2HE MET 70 -13.210 -1.502 -1.502 558 3HE MET 70 1HE MET 70 -14.819 -1.131 -1.131 559 H ALA 71 HN ALA 71 -11.599 -3.257 -3.257 560 HA ALA 71 HA ALA 71 -8.701 -2.930 -2.930 561 1HB ALA 71 2HB ALA 71 -9.261 -3.086 -3.086 562 2HB ALA 71 1HB ALA 71 -9.935 -4.688 -4.688 563 3HB ALA 71 3HB ALA 71 -8.218 -4.388 -4.388 564 H VAL 72 HN VAL 72 -7.785 -4.379 -4.379 565 HA VAL 72 HA VAL 72 -9.304 -6.809 -6.809 566 HB VAL 72 HB VAL 72 -7.650 -5.326 -5.326 567 1HG1 VAL 72 1HG1 VAL 72 -8.382 -7.786 -7.786 568 2HG1 VAL 72 3HG1 VAL 72 -9.992 -7.126 -7.126 569 3HG1 VAL 72 2HG1 VAL 72 -8.659 -6.704 -6.704 570 1HG2 VAL 72 3HG2 VAL 72 -10.341 -4.686 -4.686 571 2HG2 VAL 72 2HG2 VAL 72 -9.171 -3.671 -3.671 572 3HG2 VAL 72 1HG2 VAL 72 -10.192 -4.784 -4.784 573 H SER 73 HN SER 73 -8.021 -8.087 -8.087 574 HA SER 73 HA SER 73 -5.180 -8.047 -8.047 575 1HB SER 73 2HB SER 73 -6.465 -10.566 -10.566 576 2HB SER 73 1HB SER 73 -5.318 -9.545 -9.545 577 HG SER 73 HG SER 73 -7.002 -8.969 -8.969 578 H CYS 74 HN CYS 74 -3.735 -9.524 -9.524 579 HA CYS 74 HA CYS 74 -4.832 -11.166 -11.166 580 1HB CYS 74 2HB CYS 74 -3.026 -8.960 -8.960 581 2HB CYS 74 1HB CYS 74 -2.151 -10.422 -10.422 582 HG CYS 74 HG CYS 74 -3.584 -9.085 -9.085 583 H ASP 75 HN ASP 75 -3.666 -13.078 -13.078 584 HA ASP 75 HA ASP 75 -2.093 -14.097 -14.097 585 1HB ASP 75 2HB ASP 75 -3.874 -15.428 -15.428 586 2HB ASP 75 1HB ASP 75 -2.662 -16.359 -16.359 587 H THR 76 HN THR 76 -0.071 -14.885 -14.885 588 HA THR 76 HA THR 76 1.469 -14.067 -14.067 589 HB THR 76 HB THR 76 3.276 -15.113 -15.113 590 HG1 THR 76 1HG THR 76 3.179 -17.048 -17.048 591 1HG2 THR 76 3HG2 THR 76 1.958 -13.502 -13.502 592 2HG2 THR 76 2HG2 THR 76 1.522 -14.962 -14.962 593 3HG2 THR 76 1HG2 THR 76 3.218 -14.514 -14.514 594 H PHE 77 HN PHE 77 2.351 -15.170 -15.170 595 HA PHE 77 HA PHE 77 1.849 -17.934 -17.934 596 1HB PHE 77 2HB PHE 77 0.292 -17.785 -17.785 597 2HB PHE 77 1HB PHE 77 -0.399 -16.884 -16.884 598 HD1 PHE 77 2HD PHE 77 0.275 -14.300 -14.300 599 HD2 PHE 77 1HD PHE 77 0.178 -16.839 -16.839 600 HE1 PHE 77 2HE PHE 77 0.023 -12.330 -12.330 601 HE2 PHE 77 1HE PHE 77 -0.074 -14.874 -14.874 602 HZ PHE 77 HZ PHE 77 -0.152 -12.616 -12.616 603 H ASN 78 HN ASN 78 2.014 -17.992 -17.992 604 HA ASN 78 HA ASN 78 4.621 -16.703 -16.703 605 1HB ASN 78 2HB ASN 78 3.577 -19.422 -19.422 606 2HB ASN 78 1HB ASN 78 4.733 -18.682 -18.682 607 1HD2 ASN 78 2HD2 ASN 78 6.146 -20.623 -20.623 608 2HD2 ASN 78 1HD2 ASN 78 4.647 -20.878 -20.878 609 H ALA 79 HN ALA 79 4.576 -15.138 -15.138 610 HA ALA 79 HA ALA 79 2.398 -15.064 -15.064 611 1HB ALA 79 3HB ALA 79 3.773 -13.089 -13.089 612 2HB ALA 79 2HB ALA 79 3.981 -12.739 -12.739 613 3HB ALA 79 1HB ALA 79 2.361 -12.902 -12.902 614 H ALA 80 HN ALA 80 4.988 -16.707 -16.707 615 HA ALA 80 HA ALA 80 6.217 -15.607 -15.607 616 1HB ALA 80 2HB ALA 80 7.213 -17.052 -17.052 617 2HB ALA 80 1HB ALA 80 7.257 -18.174 -18.174 618 3HB ALA 80 3HB ALA 80 8.075 -16.615 -16.615 619 H THR 81 HN THR 81 4.094 -18.162 -18.162 620 HA THR 81 HA THR 81 3.660 -18.880 -18.880 621 HB THR 81 HB THR 81 3.712 -21.279 -21.279 622 HG1 THR 81 1HG THR 81 4.265 -22.010 -22.010 623 1HG2 THR 81 1HG2 THR 81 5.796 -20.056 -20.056 624 2HG2 THR 81 3HG2 THR 81 6.292 -20.100 -20.100 625 3HG2 THR 81 2HG2 THR 81 6.031 -21.606 -21.606 626 H GLU 82 HN GLU 82 2.002 -17.284 -17.284 627 HA GLU 82 HA GLU 82 -0.371 -18.974 -18.974 628 1HB GLU 82 2HB GLU 82 0.597 -17.073 -17.073 629 2HB GLU 82 1HB GLU 82 -1.058 -17.662 -17.662 630 1HG GLU 82 2HG GLU 82 1.346 -19.456 -19.456 631 2HG GLU 82 1HG GLU 82 0.424 -18.886 -18.886 632 H ASP 83 HN ASP 83 -2.316 -17.920 -17.920 633 HA ASP 83 HA ASP 83 -2.212 -15.851 -15.851 634 1HB ASP 83 2HB ASP 83 -4.726 -15.686 -15.686 635 2HB ASP 83 1HB ASP 83 -4.114 -17.244 -17.244 636 H LEU 84 HN LEU 84 -2.881 -13.668 -13.668 637 HA LEU 84 HA LEU 84 -2.885 -12.491 -12.491 638 1HB LEU 84 2HB LEU 84 -1.501 -11.361 -11.361 639 2HB LEU 84 1HB LEU 84 -1.571 -10.612 -10.612 640 HG LEU 84 HG LEU 84 -0.258 -13.277 -13.277 641 1HD1 LEU 84 1HD1 LEU 84 0.787 -11.341 -11.341 642 2HD1 LEU 84 3HD1 LEU 84 1.137 -10.637 -10.637 643 3HD1 LEU 84 2HD1 LEU 84 1.838 -12.192 -12.192 644 1HD2 LEU 84 2HD2 LEU 84 -0.699 -11.562 -11.562 645 2HD2 LEU 84 1HD2 LEU 84 -0.513 -13.312 -13.312 646 3HD2 LEU 84 3HD2 LEU 84 0.909 -12.269 -12.269 647 H ASN 85 HN ASN 85 -5.080 -13.171 -13.171 648 HA ASN 85 HA ASN 85 -6.341 -10.540 -10.540 649 1HB ASN 85 2HB ASN 85 -5.558 -12.020 -12.020 650 2HB ASN 85 1HB ASN 85 -7.299 -11.761 -11.761 651 1HD2 ASN 85 2HD2 ASN 85 -4.788 -8.769 -8.769 652 2HD2 ASN 85 1HD2 ASN 85 -4.269 -10.393 -10.393 653 H ASN 86 HN ASN 86 -6.592 -12.850 -12.850 654 HA ASN 86 HA ASN 86 -9.317 -13.749 -13.749 655 1HB ASN 86 2HB ASN 86 -6.998 -15.085 -15.085 656 2HB ASN 86 1HB ASN 86 -8.544 -15.405 -15.405 657 1HD2 ASN 86 2HD2 ASN 86 -8.535 -16.305 -16.305 658 2HD2 ASN 86 1HD2 ASN 86 -8.051 -14.746 -14.746 659 H ASP 87 HN ASP 87 -7.452 -11.901 -11.901 660 HA ASP 87 HA ASP 87 -9.382 -12.052 -12.052 661 1HB ASP 87 2HB ASP 87 -6.861 -10.436 -10.436 662 2HB ASP 87 1HB ASP 87 -7.900 -10.262 -10.262 663 H ARG 88 HN ARG 88 -11.201 -10.925 -10.925 664 HA ARG 88 HA ARG 88 -11.193 -8.166 -8.166 665 1HB ARG 88 2HB ARG 88 -12.802 -10.373 -10.373 666 2HB ARG 88 1HB ARG 88 -13.446 -8.737 -8.737 667 1HG ARG 88 2HG ARG 88 -12.191 -8.122 -8.122 668 2HG ARG 88 1HG ARG 88 -10.728 -8.745 -8.745 669 1HD ARG 88 2HD ARG 88 -11.312 -9.788 -9.788 670 2HD ARG 88 1HD ARG 88 -11.096 -10.921 -10.921 671 HE ARG 88 HE ARG 88 -13.823 -10.144 -10.144 672 1HH1 ARG 88 1HH2 ARG 88 -11.337 -12.249 -12.249 673 2HH1 ARG 88 2HH2 ARG 88 -12.453 -13.434 -13.434 674 1HH2 ARG 88 1HH1 ARG 88 -15.301 -11.697 -11.697 675 2HH2 ARG 88 2HH1 ARG 88 -14.707 -13.120 -13.120 676 H ILE 89 HN ILE 89 -12.559 -6.873 -6.873 677 HA ILE 89 HA ILE 89 -14.183 -8.172 -8.172 678 HB ILE 89 HB ILE 89 -13.355 -5.282 -5.282 679 1HG1 ILE 89 2HG1 ILE 89 -11.784 -7.634 -7.634 680 2HG1 ILE 89 1HG1 ILE 89 -11.302 -6.599 -6.599 681 1HG2 ILE 89 3HG2 ILE 89 -14.364 -7.272 -7.272 682 2HG2 ILE 89 2HG2 ILE 89 -13.456 -5.855 -5.855 683 3HG2 ILE 89 1HG2 ILE 89 -14.964 -5.654 -5.654 684 1HD1 ILE 89 2HD1 ILE 89 -11.844 -4.962 -4.962 685 2HD1 ILE 89 1HD1 ILE 89 -10.770 -6.273 -6.273 686 3HD1 ILE 89 3HD1 ILE 89 -10.319 -5.216 -5.216 687 H THR 90 HN THR 90 -16.146 -6.880 -6.880 688 HA THR 90 HA THR 90 -17.332 -5.218 -5.218 689 HB THR 90 HB THR 90 -18.755 -7.753 -7.753 690 HG1 THR 90 1HG THR 90 -17.247 -7.231 -7.231 691 1HG2 THR 90 3HG2 THR 90 -19.999 -5.685 -5.685 692 2HG2 THR 90 2HG2 THR 90 -19.292 -6.178 -6.178 693 3HG2 THR 90 1HG2 THR 90 -20.346 -7.285 -7.285 694 H ILE 91 HN ILE 91 -18.387 -3.631 -3.631 695 HA ILE 91 HA ILE 91 -19.383 -4.093 -4.093 696 HB ILE 91 HB ILE 91 -18.645 -1.438 -1.438 697 1HG1 ILE 91 2HG1 ILE 91 -16.714 -1.673 -1.673 698 2HG1 ILE 91 1HG1 ILE 91 -17.055 -3.397 -3.397 699 1HG2 ILE 91 1HG2 ILE 91 -19.260 -2.244 -2.244 700 2HG2 ILE 91 3HG2 ILE 91 -18.725 -0.644 -0.644 701 3HG2 ILE 91 2HG2 ILE 91 -20.281 -1.272 -1.272 702 1HD1 ILE 91 2HD1 ILE 91 -16.800 -2.155 -2.155 703 2HD1 ILE 91 1HD1 ILE 91 -15.350 -1.993 -1.993 704 3HD1 ILE 91 3HD1 ILE 91 -16.017 -3.592 -3.592 705 H GLU 92 HN GLU 92 -21.511 -4.086 -4.086 706 HA GLU 92 HA GLU 92 -23.160 -2.521 -2.521 707 1HB GLU 92 2HB GLU 92 -24.892 -4.311 -4.311 708 2HB GLU 92 1HB GLU 92 -23.427 -4.822 -4.822 709 1HG GLU 92 2HG GLU 92 -23.333 -5.319 -5.319 710 2HG GLU 92 1HG GLU 92 -24.672 -6.141 -6.141 711 H TRP 93 HN TRP 93 -24.731 -1.285 -1.285 712 HA TRP 93 HA TRP 93 -25.451 -1.721 -1.721 713 1HB TRP 93 2HB TRP 93 -25.133 0.648 0.648 714 2HB TRP 93 1HB TRP 93 -23.618 -0.091 -0.091 715 HD1 TRP 93 1HD TRP 93 -25.776 2.839 2.839 716 HE1 TRP 93 1HE TRP 93 -24.944 4.102 4.102 717 HE3 TRP 93 3HE TRP 93 -22.519 -0.656 -0.656 718 HZ2 TRP 93 2HZ TRP 93 -23.146 3.676 3.676 719 HZ3 TRP 93 3HZ TRP 93 -21.283 -0.150 -0.150 720 HH2 TRP 93 2HH TRP 93 -21.592 1.972 1.972 721 H THR 94 HN THR 94 -27.491 -1.009 -1.009 722 HA THR 94 HA THR 94 -29.111 0.204 0.204 723 HB THR 94 HB THR 94 -29.639 -2.145 -2.145 724 HG1 THR 94 1HG THR 94 -31.551 -1.303 -1.303 725 1HG2 THR 94 1HG2 THR 94 -28.858 -2.562 -2.562 726 2HG2 THR 94 3HG2 THR 94 -30.481 -2.065 -2.065 727 3HG2 THR 94 2HG2 THR 94 -30.262 -3.461 -3.461 728 H ASN 95 HN ASN 95 -30.861 1.482 1.482 729 HA ASN 95 HA ASN 95 -30.450 3.097 3.097 730 1HB ASN 95 2HB ASN 95 -32.938 2.477 2.477 731 2HB ASN 95 1HB ASN 95 -32.957 3.630 3.630 732 1HD2 ASN 95 2HD2 ASN 95 -30.892 6.003 6.003 733 2HD2 ASN 95 1HD2 ASN 95 -31.171 5.305 5.305 734 H THR 96 HN THR 96 -30.990 3.059 3.059 735 HA THR 96 HA THR 96 -31.841 0.546 0.546 736 HB THR 96 HB THR 96 -31.681 2.065 2.065 737 HG1 THR 96 1HG THR 96 -31.249 4.031 4.031 738 1HG2 THR 96 3HG2 THR 96 -29.488 0.893 0.893 739 2HG2 THR 96 2HG2 THR 96 -29.091 1.855 1.855 740 3HG2 THR 96 1HG2 THR 96 -30.099 0.417 0.417 741 HA PRO 97 HA PRO 97 -36.207 1.451 1.451 742 1HB PRO 97 2HB PRO 97 -36.171 -0.319 -0.319 743 2HB PRO 97 1HB PRO 97 -37.164 -0.417 -0.417 744 1HG PRO 97 2HG PRO 97 -35.135 -2.099 -2.099 745 2HG PRO 97 1HG PRO 97 -35.488 -1.441 -1.441 746 1HD PRO 97 2HD PRO 97 -33.334 -0.685 -0.685 747 2HD PRO 97 1HD PRO 97 -33.278 -0.788 -0.788 748 H ASP 98 HN ASP 98 -37.786 2.446 2.446 749 HA ASP 98 HA ASP 98 -36.892 4.578 4.578 750 1HB ASP 98 2HB ASP 98 -39.547 3.148 3.148 751 2HB ASP 98 1HB ASP 98 -39.204 4.768 4.768 752 H GLY 99 HN GLY 99 -36.041 4.788 4.788 753 1HA GLY 99 2HA GLY 99 -35.308 4.268 4.268 754 2HA GLY 99 1HA GLY 99 -36.894 3.544 3.544 755 H ALA 100 HN ALA 100 -34.283 2.573 2.573 756 HA ALA 100 HA ALA 100 -34.559 -0.162 -0.162 757 1HB ALA 100 2HB ALA 100 -33.331 1.103 1.103 758 2HB ALA 100 1HB ALA 100 -31.931 0.970 0.970 759 3HB ALA 100 3HB ALA 100 -32.760 -0.486 -0.486 760 H ALA 101 HN ALA 101 -33.478 -1.598 -1.598 761 HA ALA 101 HA ALA 101 -32.650 -0.705 -0.705 762 1HB ALA 101 3HB ALA 101 -32.456 -3.341 -3.341 763 2HB ALA 101 2HB ALA 101 -31.765 -3.103 -3.103 764 3HB ALA 101 1HB ALA 101 -33.496 -2.877 -2.877 765 H LYS 102 HN LYS 102 -30.558 -1.208 -1.208 766 HA LYS 102 HA LYS 102 -28.414 -0.159 -0.159 767 1HB LYS 102 2HB LYS 102 -28.784 -0.585 -0.585 768 2HB LYS 102 1HB LYS 102 -27.169 -0.343 -0.343 769 1HG LYS 102 2HG LYS 102 -27.701 1.807 1.807 770 2HG LYS 102 1HG LYS 102 -28.325 1.735 1.735 771 1HD LYS 102 2HD LYS 102 -30.097 2.684 2.684 772 2HD LYS 102 1HD LYS 102 -30.531 0.973 0.973 773 1HE LYS 102 2HE LYS 102 -30.697 1.124 1.124 774 2HE LYS 102 1HE LYS 102 -28.946 1.330 1.330 775 1HZ LYS 102 3HZ LYS 102 -29.365 3.761 3.761 776 2HZ LYS 102 2HZ LYS 102 -31.011 3.457 3.457 777 3HZ LYS 102 1HZ LYS 102 -29.905 3.130 3.130 778 H GLN 103 HN GLN 103 -28.536 -2.199 -2.199 779 HA GLN 103 HA GLN 103 -26.278 -3.782 -3.782 780 1HB GLN 103 2HB GLN 103 -28.751 -4.721 -4.721 781 2HB GLN 103 1HB GLN 103 -28.054 -5.908 -5.908 782 1HG GLN 103 2HG GLN 103 -25.851 -5.185 -5.185 783 2HG GLN 103 1HG GLN 103 -27.078 -4.912 -4.912 784 1HE2 GLN 103 2HE2 GLN 103 -27.148 -8.240 -8.240 785 2HE2 GLN 103 1HE2 GLN 103 -27.258 -6.575 -6.575 786 H PHE 104 HN PHE 104 -25.621 -4.549 -4.549 787 HA PHE 104 HA PHE 104 -26.869 -4.036 -4.036 788 1HB PHE 104 2HB PHE 104 -24.519 -4.639 -4.639 789 2HB PHE 104 1HB PHE 104 -24.933 -6.269 -6.269 790 HD1 PHE 104 1HD PHE 104 -26.067 -4.035 -4.035 791 HD2 PHE 104 2HD PHE 104 -24.504 -7.823 -7.823 792 HE1 PHE 104 1HE PHE 104 -26.123 -4.765 -4.765 793 HE2 PHE 104 2HE PHE 104 -24.556 -8.560 -8.560 794 HZ PHE 104 HZ PHE 104 -25.367 -7.031 -7.031 795 H ARG 105 HN ARG 105 -28.518 -4.873 -4.873 796 HA ARG 105 HA ARG 105 -29.530 -7.519 -7.519 797 1HB ARG 105 2HB ARG 105 -30.932 -4.944 -4.944 798 2HB ARG 105 1HB ARG 105 -31.741 -6.414 -6.414 799 1HG ARG 105 2HG ARG 105 -32.102 -7.144 -7.144 800 2HG ARG 105 1HG ARG 105 -30.646 -6.373 -6.373 801 1HD ARG 105 2HD ARG 105 -31.673 -4.299 -4.299 802 2HD ARG 105 1HD ARG 105 -32.943 -4.714 -4.714 803 HE ARG 105 HE ARG 105 -32.975 -6.282 -6.282 804 1HH1 ARG 105 1HH2 ARG 105 -34.074 -3.371 -3.371 805 2HH1 ARG 105 2HH2 ARG 105 -35.450 -3.180 -3.180 806 1HH2 ARG 105 1HH1 ARG 105 -34.784 -6.039 -6.039 807 2HH2 ARG 105 2HH1 ARG 105 -35.853 -4.697 -4.697 808 H ARG 106 HN ARG 106 -30.416 -8.850 -8.850 809 HA ARG 106 HA ARG 106 -29.190 -8.463 -8.463 810 1HB ARG 106 2HB ARG 106 -29.171 -10.663 -10.663 811 2HB ARG 106 1HB ARG 106 -30.903 -10.767 -10.767 812 1HG ARG 106 2HG ARG 106 -30.594 -10.904 -10.904 813 2HG ARG 106 1HG ARG 106 -28.881 -10.505 -10.505 814 1HD ARG 106 2HD ARG 106 -28.307 -12.601 -12.601 815 2HD ARG 106 1HD ARG 106 -29.837 -12.869 -12.869 816 HE ARG 106 HE ARG 106 -30.647 -13.837 -13.837 817 1HH1 ARG 106 1HH2 ARG 106 -27.872 -11.905 -11.905 818 2HH1 ARG 106 2HH2 ARG 106 -27.831 -12.433 -12.433 819 1HH2 ARG 106 1HH1 ARG 106 -30.606 -14.541 -14.541 820 2HH2 ARG 106 2HH1 ARG 106 -29.387 -13.932 -13.932 821 H GLU 107 HN GLU 107 -32.408 -8.572 -8.572 822 HA GLU 107 HA GLU 107 -33.891 -8.622 -8.622 823 1HB GLU 107 2HB GLU 107 -34.435 -8.471 -8.471 824 2HB GLU 107 1HB GLU 107 -35.244 -7.094 -7.094 825 1HG GLU 107 2HG GLU 107 -36.387 -8.577 -8.577 826 2HG GLU 107 1HG GLU 107 -35.554 -9.965 -9.965 827 H TRP 108 HN TRP 108 -32.058 -6.112 -6.112 828 HA TRP 108 HA TRP 108 -33.382 -3.814 -3.814 829 1HB TRP 108 2HB TRP 108 -30.487 -4.492 -4.492 830 2HB TRP 108 1HB TRP 108 -30.935 -2.913 -2.913 831 HD1 TRP 108 1HD TRP 108 -33.652 -3.497 -3.497 832 HE1 TRP 108 1HE TRP 108 -33.242 -2.539 -2.539 833 HE3 TRP 108 3HE TRP 108 -28.591 -2.827 -2.827 834 HZ2 TRP 108 2HZ TRP 108 -31.060 -1.621 -1.621 835 HZ3 TRP 108 3HZ TRP 108 -27.419 -1.903 -1.903 836 HH2 TRP 108 2HH TRP 108 -28.629 -1.313 -1.313 837 H PHE 109 HN PHE 109 -31.816 -6.177 -6.177 838 HA PHE 109 HA PHE 109 -31.597 -4.406 -4.406 839 1HB PHE 109 2HB PHE 109 -30.909 -7.306 -7.306 840 2HB PHE 109 1HB PHE 109 -30.828 -6.559 -6.559 841 HD1 PHE 109 2HD PHE 109 -29.452 -4.302 -4.302 842 HD2 PHE 109 1HD PHE 109 -29.010 -7.343 -7.343 843 HE1 PHE 109 2HE PHE 109 -27.185 -3.483 -3.483 844 HE2 PHE 109 1HE PHE 109 -26.743 -6.531 -6.531 845 HZ PHE 109 HZ PHE 109 -25.828 -4.598 -4.598 846 H GLN 110 HN GLN 110 -33.641 -6.994 -6.994 847 HA GLN 110 HA GLN 110 -35.229 -6.913 -6.913 848 1HB GLN 110 2HB GLN 110 -36.395 -8.895 -8.895 849 2HB GLN 110 1HB GLN 110 -34.681 -9.139 -9.139 850 1HG GLN 110 2HG GLN 110 -34.191 -9.408 -9.408 851 2HG GLN 110 1HG GLN 110 -35.320 -8.157 -8.157 852 1HE2 GLN 110 2HE2 GLN 110 -36.261 -11.883 -11.883 853 2HE2 GLN 110 1HE2 GLN 110 -34.677 -11.222 -11.222 854 H GLY 111 HN GLY 111 -35.515 -4.594 -4.594 855 1HA GLY 111 2HA GLY 111 -38.203 -4.816 -4.816 856 2HA GLY 111 1HA GLY 111 -36.985 -3.782 -3.782 857 H ASP 112 HN ASP 112 -37.237 -1.711 -1.711 858 HA ASP 112 HA ASP 112 -38.504 -0.989 -0.989 859 1HB ASP 112 2HB ASP 112 -38.683 0.111 0.111 860 2HB ASP 112 1HB ASP 112 -38.659 1.295 1.295 861 H GLY 113 HN GLY 113 -37.590 0.556 0.556 862 1HA GLY 113 2HA GLY 113 -36.016 2.320 2.320 863 2HA GLY 113 1HA GLY 113 -34.988 1.655 1.655 864 H MET 114 HN MET 114 -33.438 2.019 2.019 865 HA MET 114 HA MET 114 -33.395 -0.380 -0.380 866 1HB MET 114 2HB MET 114 -32.107 2.295 2.295 867 2HB MET 114 1HB MET 114 -32.143 0.903 0.903 868 1HG MET 114 2HG MET 114 -34.036 1.619 1.619 869 2HG MET 114 1HG MET 114 -34.813 1.506 1.506 870 1HE MET 114 2HE MET 114 -36.484 3.350 3.350 871 2HE MET 114 1HE MET 114 -35.806 3.555 3.555 872 3HE MET 114 3HE MET 114 -36.067 4.961 4.961 873 H VAL 115 HN VAL 115 -31.475 -1.511 -1.511 874 HA VAL 115 HA VAL 115 -29.573 -1.119 -1.119 875 HB VAL 115 HB VAL 115 -29.719 -3.372 -3.372 876 1HG1 VAL 115 1HG1 VAL 115 -28.046 -2.843 -2.843 877 2HG1 VAL 115 3HG1 VAL 115 -28.469 -4.502 -4.502 878 3HG1 VAL 115 2HG1 VAL 115 -27.582 -3.503 -3.503 879 1HG2 VAL 115 1HG2 VAL 115 -31.756 -3.153 -3.153 880 2HG2 VAL 115 3HG2 VAL 115 -30.868 -4.653 -4.653 881 3HG2 VAL 115 2HG2 VAL 115 -30.735 -3.333 -3.333 882 H ARG 116 HN ARG 116 -27.325 -0.990 -0.990 883 HA ARG 116 HA ARG 116 -26.501 -0.149 -0.149 884 1HB ARG 116 2HB ARG 116 -26.600 1.496 1.496 885 2HB ARG 116 1HB ARG 116 -24.963 0.875 0.875 886 1HG ARG 116 2HG ARG 116 -25.085 2.984 2.984 887 2HG ARG 116 1HG ARG 116 -24.398 1.657 1.657 888 1HD ARG 116 2HD ARG 116 -27.207 1.645 1.645 889 2HD ARG 116 1HD ARG 116 -26.638 3.300 3.300 890 HE ARG 116 HE ARG 116 -24.959 1.510 1.510 891 1HH1 ARG 116 1HH2 ARG 116 -28.145 2.909 2.909 892 2HH1 ARG 116 2HH2 ARG 116 -28.266 2.798 2.798 893 1HH2 ARG 116 1HH1 ARG 116 -25.107 1.360 1.360 894 2HH2 ARG 116 2HH1 ARG 116 -26.539 1.917 1.917 895 H ARG 117 HN ARG 117 -24.603 -0.942 -0.942 896 HA ARG 117 HA ARG 117 -23.066 -2.748 -2.748 897 1HB ARG 117 2HB ARG 117 -24.521 -4.060 -4.060 898 2HB ARG 117 1HB ARG 117 -23.813 -3.256 -3.256 899 1HG ARG 117 2HG ARG 117 -21.818 -4.388 -4.388 900 2HG ARG 117 1HG ARG 117 -22.044 -4.713 -4.713 901 1HD ARG 117 2HD ARG 117 -23.626 -5.968 -5.968 902 2HD ARG 117 1HD ARG 117 -22.294 -6.736 -6.736 903 HE ARG 117 HE ARG 117 -24.221 -5.900 -5.900 904 1HH1 ARG 117 1HH2 ARG 117 -23.789 -8.244 -8.244 905 2HH1 ARG 117 2HH2 ARG 117 -24.880 -9.394 -9.394 906 1HH2 ARG 117 1HH1 ARG 117 -25.659 -7.406 -7.406 907 2HH2 ARG 117 2HH1 ARG 117 -25.944 -8.917 -8.917 908 H LYS 118 HN LYS 118 -20.863 -2.877 -2.877 909 HA LYS 118 HA LYS 118 -19.682 -1.240 -1.240 910 1HB LYS 118 2HB LYS 118 -19.975 -0.220 -0.220 911 2HB LYS 118 1HB LYS 118 -18.312 -0.789 -0.789 912 1HG LYS 118 2HG LYS 118 -18.272 0.507 0.507 913 2HG LYS 118 1HG LYS 118 -19.621 1.381 1.381 914 1HD LYS 118 2HD LYS 118 -18.188 2.605 2.605 915 2HD LYS 118 1HD LYS 118 -17.585 1.145 1.145 916 1HE LYS 118 2HE LYS 118 -15.691 2.132 2.132 917 2HE LYS 118 1HE LYS 118 -16.136 0.827 0.827 918 1HZ LYS 118 1HZ LYS 118 -17.350 3.387 3.387 919 2HZ LYS 118 3HZ LYS 118 -15.667 3.347 3.347 920 3HZ LYS 118 2HZ LYS 118 -16.633 2.263 2.263 921 H ASN 119 HN ASN 119 -17.370 -1.622 -1.622 922 HA ASN 119 HA ASN 119 -16.512 -4.190 -4.190 923 1HB ASN 119 2HB ASN 119 -16.283 -3.308 -3.308 924 2HB ASN 119 1HB ASN 119 -15.452 -4.709 -4.709 925 1HD2 ASN 119 2HD2 ASN 119 -18.917 -5.350 -5.350 926 2HD2 ASN 119 1HD2 ASN 119 -17.715 -4.197 -4.197 927 H LEU 120 HN LEU 120 -14.315 -4.471 -4.471 928 HA LEU 120 HA LEU 120 -12.550 -2.186 -2.186 929 1HB LEU 120 2HB LEU 120 -13.463 -3.187 -3.187 930 2HB LEU 120 1HB LEU 120 -11.719 -3.062 -3.062 931 HG LEU 120 HG LEU 120 -12.579 -1.038 -1.038 932 1HD1 LEU 120 3HD1 LEU 120 -10.704 -0.916 -0.916 933 2HD1 LEU 120 2HD1 LEU 120 -11.889 -0.430 -0.430 934 3HD1 LEU 120 1HD1 LEU 120 -11.612 0.582 0.582 935 1HD2 LEU 120 3HD2 LEU 120 -14.814 -1.472 -1.472 936 2HD2 LEU 120 2HD2 LEU 120 -14.447 0.024 0.024 937 3HD2 LEU 120 1HD2 LEU 120 -14.066 -0.123 -0.123 938 HA PRO 121 HA PRO 121 -10.617 -6.154 -6.154 939 1HB PRO 121 2HB PRO 121 -8.935 -4.860 -4.860 940 2HB PRO 121 1HB PRO 121 -10.538 -5.480 -5.480 941 1HG PRO 121 2HG PRO 121 -9.701 -2.698 -2.698 942 2HG PRO 121 1HG PRO 121 -10.852 -3.247 -3.247 943 1HD PRO 121 2HD PRO 121 -11.679 -2.234 -2.234 944 2HD PRO 121 1HD PRO 121 -12.550 -3.561 -3.561 945 H ILE 122 HN ILE 122 -8.644 -7.031 -7.031 946 HA ILE 122 HA ILE 122 -6.931 -5.363 -5.363 947 HB ILE 122 HB ILE 122 -6.936 -8.372 -8.372 948 1HG1 ILE 122 2HG1 ILE 122 -9.067 -7.743 -7.743 949 2HG1 ILE 122 1HG1 ILE 122 -8.078 -8.279 -8.279 950 1HG2 ILE 122 3HG2 ILE 122 -5.640 -6.501 -6.501 951 2HG2 ILE 122 2HG2 ILE 122 -5.718 -8.253 -8.253 952 3HG2 ILE 122 1HG2 ILE 122 -4.833 -7.550 -7.550 953 1HD1 ILE 122 2HD1 ILE 122 -7.580 -5.597 -5.597 954 2HD1 ILE 122 1HD1 ILE 122 -9.272 -5.679 -5.679 955 3HD1 ILE 122 3HD1 ILE 122 -8.758 -6.402 -6.402 956 H GLU 123 HN GLU 123 -4.647 -5.435 -5.435 957 HA GLU 123 HA GLU 123 -3.575 -6.602 -6.602 958 1HB GLU 123 2HB GLU 123 -4.278 -4.144 -4.144 959 2HB GLU 123 1HB GLU 123 -2.911 -3.760 -3.760 960 1HG GLU 123 2HG GLU 123 -2.110 -3.533 -3.533 961 2HG GLU 123 1HG GLU 123 -1.491 -5.088 -5.088 962 H TYR 124 HN TYR 124 -1.274 -6.837 -6.837 963 HA TYR 124 HA TYR 124 -0.137 -6.807 -6.807 964 1HB TYR 124 2HB TYR 124 0.733 -8.608 -8.608 965 2HB TYR 124 1HB TYR 124 1.148 -8.742 -8.742 966 HD1 TYR 124 1HD TYR 124 -1.862 -8.730 -8.730 967 HD2 TYR 124 2HD TYR 124 -0.008 -10.272 -10.272 968 HE1 TYR 124 1HE TYR 124 -3.772 -10.242 -10.242 969 HE2 TYR 124 2HE TYR 124 -1.911 -11.789 -11.789 970 HH TYR 124 HH TYR 124 -3.707 -12.859 -12.859 971 H ASN 125 HN ASN 125 1.583 -5.578 -5.578 972 HA ASN 125 HA ASN 125 3.018 -4.473 -4.473 973 1HB ASN 125 2HB ASN 125 1.751 -3.078 -3.078 974 2HB ASN 125 1HB ASN 125 3.360 -3.198 -3.198 975 1HD2 ASN 125 2HD2 ASN 125 4.195 -0.333 -0.333 976 2HD2 ASN 125 1HD2 ASN 125 3.991 -1.120 -1.120 977 H LEU 126 HN LEU 126 4.372 -6.347 -6.347 978 HA LEU 126 HA LEU 126 6.060 -7.040 -7.040 979 1HB LEU 126 2HB LEU 126 6.300 -7.847 -7.847 980 2HB LEU 126 1HB LEU 126 7.108 -8.604 -8.604 981 HG LEU 126 HG LEU 126 4.114 -8.515 -8.515 982 1HD1 LEU 126 2HD1 LEU 126 5.957 -10.368 -10.368 983 2HD1 LEU 126 1HD1 LEU 126 4.332 -10.856 -10.856 984 3HD1 LEU 126 3HD1 LEU 126 4.555 -9.488 -9.488 985 1HD2 LEU 126 3HD2 LEU 126 5.597 -9.228 -9.228 986 2HD2 LEU 126 2HD2 LEU 126 4.197 -10.203 -10.203 987 3HD2 LEU 126 1HD2 LEU 126 5.817 -10.713 -10.713 988 1H ALA 1 3HN ALA 1 43.754 -8.964 -8.964 989 2H ALA 1 2HN ALA 1 45.292 -8.905 -8.905 990 3H ALA 1 1HN ALA 1 44.729 -10.371 -10.371 991 HA ALA 1 HA ALA 1 44.391 -10.687 -10.687 992 1HB ALA 1 3HB ALA 1 44.889 -8.256 -8.256 993 2HB ALA 1 2HB ALA 1 43.167 -7.956 -7.956 994 3HB ALA 1 1HB ALA 1 43.708 -9.052 -9.052 995 H GLN 2 HN GLN 2 42.474 -11.440 -11.440 996 HA GLN 2 HA GLN 2 40.208 -11.566 -11.566 997 1HB GLN 2 2HB GLN 2 41.089 -13.689 -13.689 998 2HB GLN 2 1HB GLN 2 40.846 -13.176 -13.176 999 1HG GLN 2 2HG GLN 2 38.723 -13.816 -13.816 1000 2HG GLN 2 1HG GLN 2 38.408 -12.986 -12.986 1001 1HE2 GLN 2 2HE2 GLN 2 39.267 -16.965 -16.965 1002 2HE2 GLN 2 1HE2 GLN 2 39.543 -15.959 -15.959 1003 H SER 3 HN SER 3 39.438 -9.427 -9.427 1004 HA SER 3 HA SER 3 38.541 -8.781 -8.781 1005 1HB SER 3 2HB SER 3 38.188 -7.331 -7.331 1006 2HB SER 3 1HB SER 3 37.683 -6.700 -6.700 1007 HG SER 3 HG SER 3 40.195 -6.868 -6.868 1008 H VAL 4 HN VAL 4 36.220 -7.854 -7.854 1009 HA VAL 4 HA VAL 4 34.313 -9.464 -9.464 1010 HB VAL 4 HB VAL 4 33.056 -9.958 -9.958 1011 1HG1 VAL 4 3HG1 VAL 4 35.801 -11.160 -11.160 1012 2HG1 VAL 4 2HG1 VAL 4 34.509 -11.858 -11.858 1013 3HG1 VAL 4 1HG1 VAL 4 34.306 -11.698 -11.698 1014 1HG2 VAL 4 3HG2 VAL 4 35.551 -8.787 -8.787 1015 2HG2 VAL 4 2HG2 VAL 4 33.870 -8.519 -8.519 1016 3HG2 VAL 4 1HG2 VAL 4 34.668 -10.036 -10.036 1017 HA PRO 5 HA PRO 5 32.204 -5.548 -5.548 1018 1HB PRO 5 2HB PRO 5 29.864 -6.324 -6.324 1019 2HB PRO 5 1HB PRO 5 31.353 -6.208 -6.208 1020 1HG PRO 5 2HG PRO 5 30.053 -8.626 -8.626 1021 2HG PRO 5 1HG PRO 5 30.777 -8.426 -8.426 1022 1HD PRO 5 2HD PRO 5 32.068 -9.627 -9.627 1023 2HD PRO 5 1HD PRO 5 32.914 -8.744 -8.744 1024 HA PRO 6 HA PRO 6 29.580 -5.365 -5.365 1025 1HB PRO 6 2HB PRO 6 27.671 -3.567 -3.567 1026 2HB PRO 6 1HB PRO 6 29.340 -3.107 -3.107 1027 1HG PRO 6 2HG PRO 6 28.022 -3.531 -3.531 1028 2HG PRO 6 1HG PRO 6 29.132 -2.245 -2.245 1029 1HD PRO 6 2HD PRO 6 29.947 -4.372 -4.372 1030 2HD PRO 6 1HD PRO 6 30.998 -3.576 -3.576 1031 H GLY 7 HN GLY 7 28.226 -6.888 -6.888 1032 1HA GLY 7 2HA GLY 7 26.661 -8.550 -8.550 1033 2HA GLY 7 1HA GLY 7 26.356 -8.216 -8.216 1034 H ASP 8 HN ASP 8 25.125 -8.016 -8.016 1035 HA ASP 8 HA ASP 8 23.626 -5.687 -5.687 1036 1HB ASP 8 2HB ASP 8 22.811 -8.400 -8.400 1037 2HB ASP 8 1HB ASP 8 22.134 -6.851 -6.851 1038 H ILE 9 HN ILE 9 22.121 -4.928 -4.928 1039 HA ILE 9 HA ILE 9 20.836 -6.683 -6.683 1040 HB ILE 9 HB ILE 9 19.898 -4.638 -4.638 1041 1HG1 ILE 9 2HG1 ILE 9 21.359 -2.646 -2.646 1042 2HG1 ILE 9 1HG1 ILE 9 20.460 -3.587 -3.587 1043 1HG2 ILE 9 2HG2 ILE 9 22.162 -5.402 -5.402 1044 2HG2 ILE 9 1HG2 ILE 9 22.834 -4.326 -4.326 1045 3HG2 ILE 9 3HG2 ILE 9 21.962 -3.656 -3.656 1046 1HD1 ILE 9 2HD1 ILE 9 19.171 -2.447 -2.447 1047 2HD1 ILE 9 1HD1 ILE 9 19.315 -1.544 -1.544 1048 3HD1 ILE 9 3HD1 ILE 9 18.400 -3.051 -3.051 1049 H ASN 10 HN ASN 10 18.804 -7.421 -7.421 1050 HA ASN 10 HA ASN 10 17.255 -6.887 -6.887 1051 1HB ASN 10 2HB ASN 10 17.490 -9.039 -9.039 1052 2HB ASN 10 1HB ASN 10 15.855 -8.426 -8.426 1053 1HD2 ASN 10 2HD2 ASN 10 16.469 -10.861 -10.861 1054 2HD2 ASN 10 1HD2 ASN 10 17.356 -10.753 -10.753 1055 H THR 11 HN THR 11 15.108 -6.072 -6.072 1056 HA THR 11 HA THR 11 14.242 -4.654 -4.654 1057 HB THR 11 HB THR 11 13.562 -2.803 -2.803 1058 HG1 THR 11 1HG THR 11 14.543 -3.208 -3.208 1059 1HG2 THR 11 2HG2 THR 11 15.330 -2.875 -2.875 1060 2HG2 THR 11 1HG2 THR 11 16.383 -2.504 -2.504 1061 3HG2 THR 11 3HG2 THR 11 15.003 -1.466 -1.466 1062 H GLN 12 HN GLN 12 12.023 -4.241 -4.241 1063 HA GLN 12 HA GLN 12 10.308 -5.346 -5.346 1064 1HB GLN 12 2HB GLN 12 10.343 -6.208 -6.208 1065 2HB GLN 12 1HB GLN 12 8.941 -6.448 -6.448 1066 1HG GLN 12 2HG GLN 12 9.841 -8.231 -8.231 1067 2HG GLN 12 1HG GLN 12 11.370 -7.401 -7.401 1068 1HE2 GLN 12 2HE2 GLN 12 12.643 -9.867 -9.867 1069 2HE2 GLN 12 1HE2 GLN 12 12.425 -9.377 -9.377 1070 HA PRO 13 HA PRO 13 8.711 -4.584 -4.584 1071 1HB PRO 13 2HB PRO 13 8.784 -1.761 -1.761 1072 2HB PRO 13 1HB PRO 13 7.644 -3.043 -3.043 1073 1HG PRO 13 2HG PRO 13 6.937 -1.049 -1.049 1074 2HG PRO 13 1HG PRO 13 6.357 -2.704 -2.704 1075 1HD PRO 13 2HD PRO 13 8.535 -1.211 -1.211 1076 2HD PRO 13 1HD PRO 13 7.303 -2.304 -2.304 1077 H SER 14 HN SER 14 10.143 -4.616 -4.616 1078 HA SER 14 HA SER 14 12.792 -3.479 -3.479 1079 1HB SER 14 2HB SER 14 12.167 -6.130 -6.130 1080 2HB SER 14 1HB SER 14 12.698 -5.767 -5.767 1081 HG SER 14 HG SER 14 14.375 -6.416 -6.416 1082 H GLN 15 HN GLN 15 10.214 -3.125 -3.125 1083 HA GLN 15 HA GLN 15 11.970 -2.174 -2.174 1084 1HB GLN 15 2HB GLN 15 10.314 -4.179 -4.179 1085 2HB GLN 15 1HB GLN 15 9.117 -2.898 -2.898 1086 1HG GLN 15 2HG GLN 15 10.165 -1.959 -1.959 1087 2HG GLN 15 1HG GLN 15 11.641 -2.885 -2.885 1088 1HE2 GLN 15 2HE2 GLN 15 10.611 -5.210 -5.210 1089 2HE2 GLN 15 1HE2 GLN 15 11.837 -4.166 -4.166 1090 H LYS 16 HN LYS 16 8.829 -1.662 -1.662 1091 HA LYS 16 HA LYS 16 9.210 1.141 1.141 1092 1HB LYS 16 2HB LYS 16 7.599 1.940 1.940 1093 2HB LYS 16 1HB LYS 16 8.729 0.906 0.906 1094 1HG LYS 16 2HG LYS 16 6.860 -0.909 -0.909 1095 2HG LYS 16 1HG LYS 16 5.852 0.539 0.539 1096 1HD LYS 16 2HD LYS 16 6.225 0.868 0.868 1097 2HD LYS 16 1HD LYS 16 7.801 0.074 0.074 1098 1HE LYS 16 2HE LYS 16 6.595 -2.094 -2.094 1099 2HE LYS 16 1HE LYS 16 5.086 -1.231 -1.231 1100 1HZ LYS 16 2HZ LYS 16 6.405 -0.505 -0.505 1101 2HZ LYS 16 1HZ LYS 16 7.193 -1.976 -1.976 1102 3HZ LYS 16 3HZ LYS 16 5.515 -1.942 -1.942 1103 H ILE 17 HN ILE 17 7.778 2.083 2.083 1104 HA ILE 17 HA ILE 17 5.711 0.311 0.311 1105 HB ILE 17 HB ILE 17 7.473 0.944 0.944 1106 1HG1 ILE 17 2HG1 ILE 17 4.798 2.247 2.247 1107 2HG1 ILE 17 1HG1 ILE 17 5.198 0.553 0.553 1108 1HG2 ILE 17 3HG2 ILE 17 6.595 3.746 3.746 1109 2HG2 ILE 17 2HG2 ILE 17 7.563 3.331 3.331 1110 3HG2 ILE 17 1HG2 ILE 17 8.198 3.040 3.040 1111 1HD1 ILE 17 3HD1 ILE 17 6.936 1.305 1.305 1112 2HD1 ILE 17 2HD1 ILE 17 6.312 2.945 2.945 1113 3HD1 ILE 17 1HD1 ILE 17 5.277 1.676 1.676 1114 H VAL 18 HN VAL 18 3.638 1.103 1.103 1115 HA VAL 18 HA VAL 18 3.062 3.749 3.749 1116 HB VAL 18 HB VAL 18 2.342 1.984 1.984 1117 1HG1 VAL 18 1HG1 VAL 18 1.906 0.388 0.388 1118 2HG1 VAL 18 3HG1 VAL 18 0.279 1.066 1.066 1119 3HG1 VAL 18 2HG1 VAL 18 0.953 0.234 0.234 1120 1HG2 VAL 18 2HG2 VAL 18 0.455 3.836 3.836 1121 2HG2 VAL 18 1HG2 VAL 18 0.928 3.703 3.703 1122 3HG2 VAL 18 3HG2 VAL 18 -0.263 2.590 2.590 1123 H PHE 19 HN PHE 19 2.703 4.945 4.945 1124 HA PHE 19 HA PHE 19 1.539 4.074 4.074 1125 1HB PHE 19 2HB PHE 19 1.871 6.775 6.775 1126 2HB PHE 19 1HB PHE 19 0.970 6.607 6.607 1127 HD1 PHE 19 1HD PHE 19 4.258 5.836 5.836 1128 HD2 PHE 19 2HD PHE 19 2.086 6.581 6.581 1129 HE1 PHE 19 1HE PHE 19 6.369 5.891 5.891 1130 HE2 PHE 19 2HE PHE 19 4.193 6.638 6.638 1131 HZ PHE 19 HZ PHE 19 6.338 6.293 6.293 1132 H ASN 20 HN ASN 20 -0.418 3.194 3.194 1133 HA ASN 20 HA ASN 20 -2.532 3.696 3.696 1134 1HB ASN 20 2HB ASN 20 -2.276 2.123 2.123 1135 2HB ASN 20 1HB ASN 20 -3.865 2.391 2.391 1136 1HD2 ASN 20 2HD2 ASN 20 -1.154 -0.055 -0.055 1137 2HD2 ASN 20 1HD2 ASN 20 -0.658 1.090 1.090 1138 H ALA 21 HN ALA 21 -4.342 4.919 4.919 1139 HA ALA 21 HA ALA 21 -4.295 7.270 7.270 1140 1HB ALA 21 3HB ALA 21 -5.952 6.094 6.094 1141 2HB ALA 21 2HB ALA 21 -6.997 6.575 6.575 1142 3HB ALA 21 1HB ALA 21 -5.951 7.767 7.767 1143 HA PRO 22 HA PRO 22 -6.304 8.515 8.515 1144 1HB PRO 22 2HB PRO 22 -7.349 9.967 9.967 1145 2HB PRO 22 1HB PRO 22 -8.287 8.675 8.675 1146 1HG PRO 22 2HG PRO 22 -6.896 8.711 8.711 1147 2HG PRO 22 1HG PRO 22 -8.428 7.947 7.947 1148 1HD PRO 22 2HD PRO 22 -5.926 6.679 6.679 1149 2HD PRO 22 1HD PRO 22 -7.385 6.016 6.016 1150 H TYR 23 HN TYR 23 -5.429 10.665 10.665 1151 HA TYR 23 HA TYR 23 -2.928 10.719 10.719 1152 1HB TYR 23 2HB TYR 23 -3.844 12.212 12.212 1153 2HB TYR 23 1HB TYR 23 -2.379 12.640 12.640 1154 HD1 TYR 23 2HD TYR 23 -0.872 10.442 10.442 1155 HD2 TYR 23 1HD TYR 23 -3.532 10.908 10.908 1156 HE1 TYR 23 2HE TYR 23 0.383 8.737 8.737 1157 HE2 TYR 23 1HE TYR 23 -2.284 9.205 9.205 1158 HH TYR 23 HH TYR 23 0.724 8.221 8.221 1159 H ASP 24 HN ASP 24 -5.569 11.307 11.307 1160 HA ASP 24 HA ASP 24 -5.367 14.176 14.176 1161 1HB ASP 24 2HB ASP 24 -7.542 12.162 12.162 1162 2HB ASP 24 1HB ASP 24 -7.576 13.456 13.456 1163 H ASP 25 HN ASP 25 -3.936 11.547 11.547 1164 HA ASP 25 HA ASP 25 -3.673 12.741 12.741 1165 1HB ASP 25 2HB ASP 25 -5.356 10.508 10.508 1166 2HB ASP 25 1HB ASP 25 -3.900 9.897 9.897 1167 H LYS 26 HN LYS 26 -1.820 11.945 11.945 1168 HA LYS 26 HA LYS 26 0.378 11.363 11.363 1169 1HB LYS 26 2HB LYS 26 0.461 11.362 11.362 1170 2HB LYS 26 1HB LYS 26 1.774 11.691 11.691 1171 1HG LYS 26 2HG LYS 26 0.092 13.645 13.645 1172 2HG LYS 26 1HG LYS 26 -0.376 13.457 13.457 1173 1HD LYS 26 2HD LYS 26 2.018 13.684 13.684 1174 2HD LYS 26 1HD LYS 26 2.392 14.015 14.015 1175 1HE LYS 26 2HE LYS 26 2.058 16.165 16.165 1176 2HE LYS 26 1HE LYS 26 0.341 15.767 15.767 1177 1HZ LYS 26 2HZ LYS 26 1.994 15.406 15.406 1178 2HZ LYS 26 1HZ LYS 26 1.390 16.935 16.935 1179 3HZ LYS 26 3HZ LYS 26 0.325 15.649 15.649 1180 H HIS 27 HN HIS 27 0.621 9.367 9.367 1181 HA HIS 27 HA HIS 27 0.206 7.095 7.095 1182 1HB HIS 27 2HB HIS 27 0.225 7.052 7.052 1183 2HB HIS 27 1HB HIS 27 -0.199 5.720 5.720 1184 HD1 HIS 27 1HD HIS 27 -2.339 6.600 6.600 1185 HD2 HIS 27 2HD HIS 27 -1.970 8.161 8.161 1186 HE1 HIS 27 1HE HIS 27 -4.612 7.523 7.523 1187 H THR 28 HN THR 28 1.830 5.683 5.683 1188 HA THR 28 HA THR 28 4.421 6.279 6.279 1189 HB THR 28 HB THR 28 3.944 4.847 4.847 1190 HG1 THR 28 1HG THR 28 3.560 6.744 6.744 1191 1HG2 THR 28 2HG2 THR 28 6.396 5.918 5.918 1192 2HG2 THR 28 1HG2 THR 28 6.312 5.695 5.695 1193 3HG2 THR 28 3HG2 THR 28 6.107 4.313 4.313 1194 H TYR 29 HN TYR 29 4.753 4.922 4.922 1195 HA TYR 29 HA TYR 29 3.840 2.158 2.158 1196 1HB TYR 29 2HB TYR 29 4.944 3.849 3.849 1197 2HB TYR 29 1HB TYR 29 4.767 2.104 2.104 1198 HD1 TYR 29 1HD TYR 29 2.837 5.186 5.186 1199 HD2 TYR 29 2HD TYR 29 2.726 1.195 1.195 1200 HE1 TYR 29 1HE TYR 29 0.482 5.493 5.493 1201 HE2 TYR 29 2HE TYR 29 0.371 1.490 1.490 1202 HH TYR 29 HH TYR 29 -1.542 3.952 3.952 1203 H HIS 30 HN HIS 30 5.133 0.726 0.726 1204 HA HIS 30 HA HIS 30 7.957 1.194 1.194 1205 1HB HIS 30 2HB HIS 30 6.498 -1.346 -1.346 1206 2HB HIS 30 1HB HIS 30 7.998 -0.728 -0.728 1207 HD1 HIS 30 1HD HIS 30 4.266 -0.175 -0.175 1208 HD2 HIS 30 2HD HIS 30 7.722 1.064 1.064 1209 HE1 HIS 30 1HE HIS 30 3.510 1.086 1.086 1210 H ILE 31 HN ILE 31 9.618 -0.230 -0.230 1211 HA ILE 31 HA ILE 31 8.922 -1.897 -1.897 1212 HB ILE 31 HB ILE 31 11.385 -0.161 -0.161 1213 1HG1 ILE 31 2HG1 ILE 31 8.868 0.359 0.359 1214 2HG1 ILE 31 1HG1 ILE 31 9.257 1.174 1.174 1215 1HG2 ILE 31 1HG2 ILE 31 11.307 -2.283 -2.283 1216 2HG2 ILE 31 3HG2 ILE 31 10.136 -1.431 -1.431 1217 3HG2 ILE 31 2HG2 ILE 31 11.768 -0.790 -0.790 1218 1HD1 ILE 31 3HD1 ILE 31 11.084 1.242 1.242 1219 2HD1 ILE 31 2HD1 ILE 31 9.786 2.413 2.413 1220 3HD1 ILE 31 1HD1 ILE 31 11.092 2.285 2.285 1221 H LYS 32 HN LYS 32 10.220 -3.719 -3.719 1222 HA LYS 32 HA LYS 32 11.788 -4.504 -4.504 1223 1HB LYS 32 2HB LYS 32 9.965 -6.005 -6.005 1224 2HB LYS 32 1HB LYS 32 10.593 -6.167 -6.167 1225 1HG LYS 32 2HG LYS 32 12.349 -7.507 -7.507 1226 2HG LYS 32 1HG LYS 32 12.304 -6.922 -6.922 1227 1HD LYS 32 2HD LYS 32 10.422 -8.221 -8.221 1228 2HD LYS 32 1HD LYS 32 10.032 -8.493 -8.493 1229 1HE LYS 32 2HE LYS 32 11.559 -10.162 -10.162 1230 2HE LYS 32 1HE LYS 32 12.666 -9.455 -9.455 1231 1HZ LYS 32 1HZ LYS 32 10.100 -10.751 -10.751 1232 2HZ LYS 32 3HZ LYS 32 11.584 -11.562 -11.562 1233 3HZ LYS 32 2HZ LYS 32 11.343 -10.269 -10.269 1234 H ILE 33 HN ILE 33 13.924 -4.680 -4.680 1235 HA ILE 33 HA ILE 33 15.220 -4.863 -4.863 1236 HB ILE 33 HB ILE 33 16.411 -3.424 -3.424 1237 1HG1 ILE 33 2HG1 ILE 33 15.144 -2.077 -2.077 1238 2HG1 ILE 33 1HG1 ILE 33 14.231 -2.414 -2.414 1239 1HG2 ILE 33 1HG2 ILE 33 17.129 -3.713 -3.713 1240 2HG2 ILE 33 3HG2 ILE 33 17.740 -2.375 -2.375 1241 3HG2 ILE 33 2HG2 ILE 33 18.116 -4.037 -4.037 1242 1HD1 ILE 33 3HD1 ILE 33 16.422 -1.176 -1.176 1243 2HD1 ILE 33 2HD1 ILE 33 16.240 -0.361 -0.361 1244 3HD1 ILE 33 1HD1 ILE 33 14.903 -0.374 -0.374 1245 H THR 34 HN THR 34 17.369 -5.827 -5.827 1246 HA THR 34 HA THR 34 18.147 -7.370 -7.370 1247 HB THR 34 HB THR 34 17.216 -8.757 -8.757 1248 HG1 THR 34 1HG THR 34 15.474 -9.152 -9.152 1249 1HG2 THR 34 3HG2 THR 34 18.566 -9.873 -9.873 1250 2HG2 THR 34 2HG2 THR 34 17.668 -10.847 -10.847 1251 3HG2 THR 34 1HG2 THR 34 19.108 -9.967 -9.967 1252 H ASN 35 HN ASN 35 20.223 -8.344 -8.344 1253 HA ASN 35 HA ASN 35 21.796 -7.221 -7.221 1254 1HB ASN 35 2HB ASN 35 22.460 -6.253 -6.253 1255 2HB ASN 35 1HB ASN 35 22.628 -7.851 -7.851 1256 1HD2 ASN 35 2HD2 ASN 35 25.855 -8.372 -8.372 1257 2HD2 ASN 35 1HD2 ASN 35 24.483 -8.962 -8.962 1258 H ALA 36 HN ALA 36 21.143 -9.135 -9.135 1259 HA ALA 36 HA ALA 36 21.480 -11.755 -11.755 1260 1HB ALA 36 1HB ALA 36 22.277 -10.322 -10.322 1261 2HB ALA 36 3HB ALA 36 22.043 -12.064 -12.064 1262 3HB ALA 36 2HB ALA 36 20.685 -10.968 -10.968 1263 H GLY 37 HN GLY 37 24.073 -9.439 -9.439 1264 1HA GLY 37 2HA GLY 37 26.207 -11.195 -11.195 1265 2HA GLY 37 1HA GLY 37 26.340 -9.619 -9.619 1266 H GLY 38 HN GLY 38 28.063 -11.394 -11.394 1267 1HA GLY 38 2HA GLY 38 26.869 -12.487 -12.487 1268 2HA GLY 38 1HA GLY 38 28.303 -13.137 -13.137 1269 H ARG 39 HN ARG 39 27.643 -9.718 -9.718 1270 HA ARG 39 HA ARG 39 29.403 -9.578 -9.578 1271 1HB ARG 39 2HB ARG 39 30.195 -7.909 -7.909 1272 2HB ARG 39 1HB ARG 39 31.142 -8.344 -8.344 1273 1HG ARG 39 2HG ARG 39 31.371 -10.610 -10.610 1274 2HG ARG 39 1HG ARG 39 30.319 -10.261 -10.261 1275 1HD ARG 39 2HD ARG 39 32.080 -9.587 -9.587 1276 2HD ARG 39 1HD ARG 39 32.377 -8.317 -8.317 1277 HE ARG 39 HE ARG 39 34.139 -9.536 -9.536 1278 1HH1 ARG 39 1HH2 ARG 39 32.033 -11.649 -11.649 1279 2HH1 ARG 39 2HH2 ARG 39 33.102 -13.009 -13.009 1280 1HH2 ARG 39 1HH1 ARG 39 35.553 -11.320 -11.320 1281 2HH2 ARG 39 2HH1 ARG 39 35.102 -12.822 -12.822 1282 H ARG 40 HN ARG 40 29.726 -7.185 -7.185 1283 HA ARG 40 HA ARG 40 27.125 -6.005 -6.005 1284 1HB ARG 40 2HB ARG 40 29.847 -5.268 -5.268 1285 2HB ARG 40 1HB ARG 40 28.508 -4.134 -4.134 1286 1HG ARG 40 2HG ARG 40 27.225 -5.848 -5.848 1287 2HG ARG 40 1HG ARG 40 28.642 -6.899 -6.899 1288 1HD ARG 40 2HD ARG 40 28.657 -4.132 -4.132 1289 2HD ARG 40 1HD ARG 40 28.349 -5.593 -5.593 1290 HE ARG 40 HE ARG 40 30.703 -6.117 -6.117 1291 1HH1 ARG 40 1HH2 ARG 40 29.551 -3.498 -3.498 1292 2HH1 ARG 40 2HH2 ARG 40 31.111 -3.143 -3.143 1293 1HH2 ARG 40 1HH1 ARG 40 32.763 -5.659 -5.659 1294 2HH2 ARG 40 2HH1 ARG 40 32.936 -4.372 -4.372 1295 H ILE 41 HN ILE 41 26.516 -3.895 -3.895 1296 HA ILE 41 HA ILE 41 28.205 -2.575 -2.575 1297 HB ILE 41 HB ILE 41 26.315 -2.478 -2.478 1298 1HG1 ILE 41 2HG1 ILE 41 25.219 -4.933 -4.933 1299 2HG1 ILE 41 1HG1 ILE 41 24.681 -3.339 -3.339 1300 1HG2 ILE 41 1HG2 ILE 41 28.348 -4.117 -4.117 1301 2HG2 ILE 41 3HG2 ILE 41 27.099 -5.333 -5.333 1302 3HG2 ILE 41 2HG2 ILE 41 27.051 -4.333 -4.333 1303 1HD1 ILE 41 1HD1 ILE 41 24.517 -4.368 -4.368 1304 2HD1 ILE 41 3HD1 ILE 41 23.191 -4.370 -4.370 1305 3HD1 ILE 41 2HD1 ILE 41 23.876 -2.841 -2.841 1306 H GLY 42 HN GLY 42 27.776 -0.417 -0.417 1307 1HA GLY 42 2HA GLY 42 25.816 0.706 0.706 1308 2HA GLY 42 1HA GLY 42 27.180 1.569 1.569 1309 H TRP 43 HN TRP 43 23.863 0.971 0.971 1310 HA TRP 43 HA TRP 43 23.760 2.013 2.013 1311 1HB TRP 43 2HB TRP 43 21.459 1.117 1.117 1312 2HB TRP 43 1HB TRP 43 22.652 -0.135 -0.135 1313 HD1 TRP 43 1HD TRP 43 22.265 -1.584 -1.584 1314 HE1 TRP 43 1HE TRP 43 20.604 -1.531 -1.531 1315 HE3 TRP 43 3HE TRP 43 20.081 2.949 2.949 1316 HZ2 TRP 43 2HZ TRP 43 18.630 0.202 0.202 1317 HZ3 TRP 43 3HZ TRP 43 18.313 3.731 3.731 1318 HH2 TRP 43 2HH TRP 43 17.604 2.384 2.384 1319 H ALA 44 HN ALA 44 22.112 3.542 3.542 1320 HA ALA 44 HA ALA 44 20.905 5.055 5.055 1321 1HB ALA 44 2HB ALA 44 23.288 5.931 5.931 1322 2HB ALA 44 1HB ALA 44 22.466 6.619 6.619 1323 3HB ALA 44 3HB ALA 44 21.961 7.071 7.071 1324 H ILE 45 HN ILE 45 19.256 6.524 6.524 1325 HA ILE 45 HA ILE 45 18.322 5.929 5.929 1326 HB ILE 45 HB ILE 45 16.431 6.586 6.586 1327 1HG1 ILE 45 2HG1 ILE 45 17.628 4.661 4.661 1328 2HG1 ILE 45 1HG1 ILE 45 16.057 4.121 4.121 1329 1HG2 ILE 45 2HG2 ILE 45 15.903 6.570 6.570 1330 2HG2 ILE 45 1HG2 ILE 45 15.879 4.818 4.818 1331 3HG2 ILE 45 3HG2 ILE 45 14.773 5.829 5.829 1332 1HD1 ILE 45 3HD1 ILE 45 18.072 4.001 4.001 1333 2HD1 ILE 45 2HD1 ILE 45 18.516 3.054 3.054 1334 3HD1 ILE 45 1HD1 ILE 45 16.985 2.747 2.747 1335 H LYS 46 HN LYS 46 17.406 7.582 7.582 1336 HA LYS 46 HA LYS 46 17.144 10.223 10.223 1337 1HB LYS 46 2HB LYS 46 18.513 11.177 11.177 1338 2HB LYS 46 1HB LYS 46 19.393 10.451 10.451 1339 1HG LYS 46 2HG LYS 46 20.178 8.753 8.753 1340 2HG LYS 46 1HG LYS 46 18.709 8.648 8.648 1341 1HD LYS 46 2HD LYS 46 20.464 11.042 11.042 1342 2HD LYS 46 1HD LYS 46 20.964 9.523 9.523 1343 1HE LYS 46 2HE LYS 46 19.682 10.122 10.122 1344 2HE LYS 46 1HE LYS 46 18.308 9.720 9.720 1345 1HZ LYS 46 2HZ LYS 46 19.246 12.338 12.338 1346 2HZ LYS 46 1HZ LYS 46 18.902 12.179 12.179 1347 3HZ LYS 46 3HZ LYS 46 17.708 11.838 11.838 1348 H THR 47 HN THR 47 15.573 11.416 11.416 1349 HA THR 47 HA THR 47 14.390 10.357 10.357 1350 HB THR 47 HB THR 47 12.237 10.759 10.759 1351 HG1 THR 47 1HG THR 47 11.819 12.468 12.468 1352 1HG2 THR 47 1HG2 THR 47 13.648 9.055 9.055 1353 2HG2 THR 47 3HG2 THR 47 13.338 10.234 10.234 1354 3HG2 THR 47 2HG2 THR 47 11.990 9.475 9.475 1355 H THR 48 HN THR 48 13.345 11.907 11.907 1356 HA THR 48 HA THR 48 14.872 14.081 14.081 1357 HB THR 48 HB THR 48 12.673 14.902 14.902 1358 HG1 THR 48 1HG THR 48 10.995 13.888 13.888 1359 1HG2 THR 48 3HG2 THR 48 14.249 12.496 12.496 1360 2HG2 THR 48 2HG2 THR 48 12.686 12.625 12.625 1361 3HG2 THR 48 1HG2 THR 48 13.886 13.904 13.904 1362 H ASN 49 HN ASN 49 11.673 14.333 14.333 1363 HA ASN 49 HA ASN 49 12.397 16.985 16.985 1364 1HB ASN 49 2HB ASN 49 9.963 15.755 15.755 1365 2HB ASN 49 1HB ASN 49 9.747 16.338 16.338 1366 1HD2 ASN 49 2HD2 ASN 49 9.059 19.492 19.492 1367 2HD2 ASN 49 1HD2 ASN 49 8.641 18.160 18.160 1368 H MET 50 HN MET 50 13.287 17.098 17.098 1369 HA MET 50 HA MET 50 12.750 15.012 15.012 1370 1HB MET 50 2HB MET 50 14.769 17.256 17.256 1371 2HB MET 50 1HB MET 50 14.579 16.173 16.173 1372 1HG MET 50 2HG MET 50 14.831 14.571 14.571 1373 2HG MET 50 1HG MET 50 16.091 15.802 15.802 1374 1HE MET 50 1HE MET 50 14.864 12.738 12.738 1375 2HE MET 50 3HE MET 50 16.380 11.986 11.986 1376 3HE MET 50 2HE MET 50 15.180 12.442 12.442 1377 H ARG 51 HN ARG 51 10.836 17.219 17.219 1378 HA ARG 51 HA ARG 51 10.573 18.540 18.540 1379 1HB ARG 51 2HB ARG 51 8.928 19.291 19.291 1380 2HB ARG 51 1HB ARG 51 9.444 20.288 20.288 1381 1HG ARG 51 2HG ARG 51 11.296 19.244 19.244 1382 2HG ARG 51 1HG ARG 51 10.547 20.842 20.842 1383 1HD ARG 51 2HD ARG 51 11.680 20.598 20.598 1384 2HD ARG 51 1HD ARG 51 12.875 19.916 19.916 1385 HE ARG 51 HE ARG 51 11.961 22.342 22.342 1386 1HH1 ARG 51 1HH2 ARG 51 13.817 21.145 21.145 1387 2HH1 ARG 51 2HH2 ARG 51 14.783 22.576 22.576 1388 1HH2 ARG 51 1HH1 ARG 51 13.226 24.232 24.232 1389 2HH2 ARG 51 2HH1 ARG 51 14.447 24.331 24.331 1390 H ARG 52 HN ARG 52 8.771 16.714 16.714 1391 HA ARG 52 HA ARG 52 6.531 16.407 16.407 1392 1HB ARG 52 2HB ARG 52 6.911 15.825 15.825 1393 2HB ARG 52 1HB ARG 52 5.552 15.149 15.149 1394 1HG ARG 52 2HG ARG 52 4.816 17.402 17.402 1395 2HG ARG 52 1HG ARG 52 6.179 18.079 18.079 1396 1HD ARG 52 2HD ARG 52 3.926 16.428 16.428 1397 2HD ARG 52 1HD ARG 52 4.155 18.164 18.164 1398 HE ARG 52 HE ARG 52 6.460 17.057 17.057 1399 1HH1 ARG 52 1HH2 ARG 52 3.068 16.676 16.676 1400 2HH1 ARG 52 2HH2 ARG 52 3.323 16.263 16.263 1401 1HH2 ARG 52 1HH1 ARG 52 6.808 16.511 16.511 1402 2HH2 ARG 52 2HH1 ARG 52 5.450 16.168 16.168 1403 H LEU 53 HN LEU 53 8.685 14.357 14.357 1404 HA LEU 53 HA LEU 53 7.827 11.949 11.949 1405 1HB LEU 53 2HB LEU 53 10.341 12.284 12.284 1406 2HB LEU 53 1HB LEU 53 9.401 10.825 10.825 1407 HG LEU 53 HG LEU 53 8.584 13.217 13.217 1408 1HD1 LEU 53 3HD1 LEU 53 10.249 11.128 11.128 1409 2HD1 LEU 53 2HD1 LEU 53 8.677 10.601 10.601 1410 3HD1 LEU 53 1HD1 LEU 53 9.353 12.141 12.141 1411 1HD2 LEU 53 1HD2 LEU 53 6.657 12.243 12.243 1412 2HD2 LEU 53 3HD2 LEU 53 6.616 11.894 11.894 1413 3HD2 LEU 53 2HD2 LEU 53 7.109 10.643 10.643 1414 H SER 54 HN SER 54 8.819 10.788 10.788 1415 HA SER 54 HA SER 54 11.273 11.903 11.903 1416 1HB SER 54 2HB SER 54 8.655 11.367 11.367 1417 2HB SER 54 1HB SER 54 10.156 11.172 11.172 1418 HG SER 54 HG SER 54 8.949 13.472 13.472 1419 H VAL 55 HN VAL 55 12.803 10.421 10.421 1420 HA VAL 55 HA VAL 55 12.043 7.590 7.590 1421 HB VAL 55 HB VAL 55 14.628 7.370 7.370 1422 1HG1 VAL 55 3HG1 VAL 55 12.560 8.201 8.201 1423 2HG1 VAL 55 2HG1 VAL 55 14.227 7.951 7.951 1424 3HG1 VAL 55 1HG1 VAL 55 13.331 6.630 6.630 1425 1HG2 VAL 55 2HG2 VAL 55 15.077 9.756 9.756 1426 2HG2 VAL 55 1HG2 VAL 55 15.682 9.242 9.242 1427 3HG2 VAL 55 3HG2 VAL 55 14.196 10.188 10.188 1428 H ASP 56 HN ASP 56 12.649 6.148 6.148 1429 HA ASP 56 HA ASP 56 14.521 6.751 6.751 1430 1HB ASP 56 2HB ASP 56 12.287 8.063 8.063 1431 2HB ASP 56 1HB ASP 56 11.761 6.490 6.490 1432 HA PRO 57 HA PRO 57 15.642 5.735 5.735 1433 1HB PRO 57 2HB PRO 57 17.425 3.510 3.510 1434 2HB PRO 57 1HB PRO 57 17.037 4.199 4.199 1435 1HG PRO 57 2HG PRO 57 16.188 1.749 1.749 1436 2HG PRO 57 1HG PRO 57 15.244 2.796 2.796 1437 1HD PRO 57 2HD PRO 57 14.903 2.292 2.292 1438 2HD PRO 57 1HD PRO 57 13.668 2.418 2.418 1439 HA PRO 58 HA PRO 58 17.034 7.410 7.410 1440 1HB PRO 58 2HB PRO 58 19.192 8.542 8.542 1441 2HB PRO 58 1HB PRO 58 18.107 9.357 9.357 1442 1HG PRO 58 2HG PRO 58 17.741 9.576 9.576 1443 2HG PRO 58 1HG PRO 58 16.360 9.436 9.436 1444 1HD PRO 58 2HD PRO 58 17.569 7.379 7.379 1445 2HD PRO 58 1HD PRO 58 15.865 7.659 7.659 1446 H CYS 59 HN CYS 59 19.443 6.162 6.162 1447 HA CYS 59 HA CYS 59 20.717 4.704 4.704 1448 1HB CYS 59 2HB CYS 59 22.422 6.101 6.101 1449 2HB CYS 59 1HB CYS 59 22.879 5.477 5.477 1450 HG CYS 59 HG CYS 59 22.419 7.675 7.675 1451 H GLY 60 HN GLY 60 21.553 2.728 2.728 1452 1HA GLY 60 2HA GLY 60 21.800 2.017 2.017 1453 2HA GLY 60 1HA GLY 60 20.539 1.177 1.177 1454 H VAL 61 HN VAL 61 22.810 -0.017 -0.017 1455 HA VAL 61 HA VAL 61 24.432 -0.891 -0.891 1456 HB VAL 61 HB VAL 61 24.970 -1.551 -1.551 1457 1HG1 VAL 61 1HG1 VAL 61 26.112 -2.873 -2.873 1458 2HG1 VAL 61 3HG1 VAL 61 26.808 -1.383 -1.383 1459 3HG1 VAL 61 2HG1 VAL 61 27.229 -1.930 -1.930 1460 1HG2 VAL 61 1HG2 VAL 61 24.809 0.915 0.915 1461 2HG2 VAL 61 3HG2 VAL 61 26.405 0.359 0.359 1462 3HG2 VAL 61 2HG2 VAL 61 26.112 0.791 0.791 1463 H LEU 62 HN LEU 62 23.781 -2.689 -2.689 1464 HA LEU 62 HA LEU 62 22.084 -4.587 -4.587 1465 1HB LEU 62 2HB LEU 62 22.683 -3.906 -3.906 1466 2HB LEU 62 1HB LEU 62 22.611 -5.637 -5.637 1467 HG LEU 62 HG LEU 62 20.387 -3.981 -3.981 1468 1HD1 LEU 62 1HD1 LEU 62 21.156 -3.621 -3.621 1469 2HD1 LEU 62 3HD1 LEU 62 19.892 -4.847 -4.847 1470 3HD1 LEU 62 2HD1 LEU 62 19.559 -3.298 -3.298 1471 1HD2 LEU 62 2HD2 LEU 62 20.784 -6.560 -6.560 1472 2HD2 LEU 62 1HD2 LEU 62 19.169 -5.926 -5.926 1473 3HD2 LEU 62 3HD2 LEU 62 20.148 -6.545 -6.545 1474 H ASP 63 HN ASP 63 22.531 -6.879 -6.879 1475 HA ASP 63 HA ASP 63 25.417 -7.438 -7.438 1476 1HB ASP 63 2HB ASP 63 23.230 -7.955 -7.955 1477 2HB ASP 63 1HB ASP 63 23.985 -9.474 -9.474 1478 HA PRO 64 HA PRO 64 25.393 -10.805 -10.805 1479 1HB PRO 64 2HB PRO 64 25.589 -12.869 -12.869 1480 2HB PRO 64 1HB PRO 64 26.667 -12.550 -12.550 1481 1HG PRO 64 2HG PRO 64 27.370 -11.885 -11.885 1482 2HG PRO 64 1HG PRO 64 27.781 -10.845 -10.845 1483 1HD PRO 64 2HD PRO 64 25.622 -10.522 -10.522 1484 2HD PRO 64 1HD PRO 64 26.664 -9.292 -9.292 1485 H LYS 65 HN LYS 65 23.446 -11.058 -11.058 1486 HA LYS 65 HA LYS 65 21.354 -11.824 -11.824 1487 1HB LYS 65 2HB LYS 65 21.846 -14.060 -14.060 1488 2HB LYS 65 1HB LYS 65 20.924 -14.091 -14.091 1489 1HG LYS 65 2HG LYS 65 23.027 -13.818 -13.818 1490 2HG LYS 65 1HG LYS 65 23.918 -13.899 -13.899 1491 1HD LYS 65 2HD LYS 65 24.037 -16.087 -16.087 1492 2HD LYS 65 1HD LYS 65 22.604 -16.136 -16.136 1493 1HE LYS 65 2HE LYS 65 21.676 -17.132 -17.132 1494 2HE LYS 65 1HE LYS 65 21.475 -15.471 -15.471 1495 1HZ LYS 65 2HZ LYS 65 23.666 -15.721 -15.721 1496 2HZ LYS 65 1HZ LYS 65 23.628 -17.368 -17.368 1497 3HZ LYS 65 3HZ LYS 65 22.441 -16.704 -16.704 1498 H GLU 66 HN GLU 66 21.497 -9.864 -9.864 1499 HA GLU 66 HA GLU 66 19.507 -10.702 -10.702 1500 1HB GLU 66 2HB GLU 66 21.736 -8.813 -8.813 1501 2HB GLU 66 1HB GLU 66 20.253 -8.122 -8.122 1502 1HG GLU 66 2HG GLU 66 20.511 -10.686 -10.686 1503 2HG GLU 66 1HG GLU 66 22.094 -9.916 -9.916 1504 H LYS 67 HN LYS 67 17.704 -9.319 -9.319 1505 HA LYS 67 HA LYS 67 16.855 -7.762 -7.762 1506 1HB LYS 67 2HB LYS 67 14.980 -9.016 -9.016 1507 2HB LYS 67 1HB LYS 67 14.619 -8.438 -8.438 1508 1HG LYS 67 2HG LYS 67 16.022 -10.267 -10.267 1509 2HG LYS 67 1HG LYS 67 16.220 -10.878 -10.878 1510 1HD LYS 67 2HD LYS 67 13.655 -10.896 -10.896 1511 2HD LYS 67 1HD LYS 67 13.724 -10.733 -10.733 1512 1HE LYS 67 2HE LYS 67 13.608 -13.024 -13.024 1513 2HE LYS 67 1HE LYS 67 15.345 -12.753 -12.753 1514 1HZ LYS 67 1HZ LYS 67 14.530 -12.542 -12.542 1515 2HZ LYS 67 3HZ LYS 67 14.014 -14.019 -14.019 1516 3HZ LYS 67 2HZ LYS 67 15.652 -13.600 -13.600 1517 H VAL 68 HN VAL 68 15.896 -5.774 -5.774 1518 HA VAL 68 HA VAL 68 15.749 -4.742 -4.742 1519 HB VAL 68 HB VAL 68 16.624 -2.541 -2.541 1520 1HG1 VAL 68 3HG1 VAL 68 18.225 -5.007 -5.007 1521 2HG1 VAL 68 2HG1 VAL 68 19.063 -3.561 -3.561 1522 3HG1 VAL 68 1HG1 VAL 68 18.158 -3.524 -3.524 1523 1HG2 VAL 68 1HG2 VAL 68 17.031 -4.280 -4.280 1524 2HG2 VAL 68 3HG2 VAL 68 16.603 -2.572 -2.572 1525 3HG2 VAL 68 2HG2 VAL 68 18.269 -3.080 -3.080 1526 H LEU 69 HN LEU 69 14.276 -3.014 -3.014 1527 HA LEU 69 HA LEU 69 12.135 -2.985 -2.985 1528 1HB LEU 69 2HB LEU 69 12.186 -3.102 -3.102 1529 2HB LEU 69 1HB LEU 69 11.485 -1.551 -1.551 1530 HG LEU 69 HG LEU 69 10.498 -4.209 -4.209 1531 1HD1 LEU 69 1HD1 LEU 69 9.833 -2.621 -2.621 1532 2HD1 LEU 69 3HD1 LEU 69 8.502 -3.369 -3.369 1533 3HD1 LEU 69 2HD1 LEU 69 9.813 -4.366 -4.366 1534 1HD2 LEU 69 3HD2 LEU 69 9.616 -1.368 -1.368 1535 2HD2 LEU 69 2HD2 LEU 69 9.849 -2.627 -2.627 1536 3HD2 LEU 69 1HD2 LEU 69 8.463 -2.698 -2.698 1537 H MET 70 HN MET 70 11.366 -1.150 -1.150 1538 HA MET 70 HA MET 70 12.806 1.359 1.359 1539 1HB MET 70 2HB MET 70 12.977 -0.132 -0.132 1540 2HB MET 70 1HB MET 70 11.824 1.137 1.137 1541 1HG MET 70 2HG MET 70 13.757 2.570 2.570 1542 2HG MET 70 1HG MET 70 14.710 1.289 1.289 1543 1HE MET 70 3HE MET 70 13.405 0.412 0.412 1544 2HE MET 70 2HE MET 70 13.208 1.514 1.514 1545 3HE MET 70 1HE MET 70 14.822 1.143 1.143 1546 H ALA 71 HN ALA 71 11.630 3.303 3.303 1547 HA ALA 71 HA ALA 71 8.730 2.985 2.985 1548 1HB ALA 71 2HB ALA 71 9.301 3.152 3.152 1549 2HB ALA 71 1HB ALA 71 9.978 4.750 4.750 1550 3HB ALA 71 3HB ALA 71 8.260 4.452 4.452 1551 H VAL 72 HN VAL 72 7.814 4.431 4.431 1552 HA VAL 72 HA VAL 72 9.338 6.853 6.853 1553 HB VAL 72 HB VAL 72 7.665 5.362 5.362 1554 1HG1 VAL 72 1HG1 VAL 72 8.404 7.818 7.818 1555 2HG1 VAL 72 3HG1 VAL 72 10.009 7.151 7.151 1556 3HG1 VAL 72 2HG1 VAL 72 8.668 6.726 6.726 1557 1HG2 VAL 72 3HG2 VAL 72 10.360 4.719 4.719 1558 2HG2 VAL 72 2HG2 VAL 72 9.182 3.704 3.704 1559 3HG2 VAL 72 1HG2 VAL 72 10.201 4.806 4.806 1560 H SER 73 HN SER 73 8.066 8.145 8.145 1561 HA SER 73 HA SER 73 5.223 8.109 8.109 1562 1HB SER 73 2HB SER 73 6.517 10.631 10.631 1563 2HB SER 73 1HB SER 73 5.372 9.615 9.615 1564 HG SER 73 HG SER 73 7.062 9.044 9.044 1565 H CYS 74 HN CYS 74 3.778 9.587 9.587 1566 HA CYS 74 HA CYS 74 4.868 11.213 11.213 1567 1HB CYS 74 2HB CYS 74 3.053 9.013 9.013 1568 2HB CYS 74 1HB CYS 74 2.182 10.477 10.477 1569 HG CYS 74 HG CYS 74 3.610 9.114 9.114 1570 H ASP 75 HN ASP 75 3.704 13.126 13.126 1571 HA ASP 75 HA ASP 75 2.148 14.164 14.164 1572 1HB ASP 75 2HB ASP 75 3.919 15.480 15.480 1573 2HB ASP 75 1HB ASP 75 2.718 16.418 16.418 1574 H THR 76 HN THR 76 0.126 14.958 14.958 1575 HA THR 76 HA THR 76 -1.428 14.132 14.132 1576 HB THR 76 HB THR 76 -3.225 15.192 15.192 1577 HG1 THR 76 1HG THR 76 -3.118 17.131 17.131 1578 1HG2 THR 76 3HG2 THR 76 -1.906 13.586 13.586 1579 2HG2 THR 76 2HG2 THR 76 -1.466 15.049 15.049 1580 3HG2 THR 76 1HG2 THR 76 -3.163 14.603 14.603 1581 H PHE 77 HN PHE 77 -2.315 15.230 15.230 1582 HA PHE 77 HA PHE 77 -1.804 17.989 17.989 1583 1HB PHE 77 2HB PHE 77 -0.254 17.823 17.823 1584 2HB PHE 77 1HB PHE 77 0.438 16.923 16.923 1585 HD1 PHE 77 2HD PHE 77 -0.246 14.344 14.344 1586 HD2 PHE 77 1HD PHE 77 -0.157 16.866 16.866 1587 HE1 PHE 77 2HE PHE 77 -0.009 12.367 12.367 1588 HE2 PHE 77 1HE PHE 77 0.081 14.894 14.894 1589 HZ PHE 77 HZ PHE 77 0.154 12.640 12.640 1590 H ASN 78 HN ASN 78 -1.987 18.038 18.038 1591 HA ASN 78 HA ASN 78 -4.598 16.749 16.749 1592 1HB ASN 78 2HB ASN 78 -3.552 19.462 19.462 1593 2HB ASN 78 1HB ASN 78 -4.719 18.719 18.719 1594 1HD2 ASN 78 2HD2 ASN 78 -6.102 20.684 20.684 1595 2HD2 ASN 78 1HD2 ASN 78 -4.609 20.930 20.930 1596 H ALA 79 HN ALA 79 -4.568 15.181 15.181 1597 HA ALA 79 HA ALA 79 -2.399 15.089 15.089 1598 1HB ALA 79 3HB ALA 79 -3.764 13.126 13.126 1599 2HB ALA 79 2HB ALA 79 -3.994 12.767 12.767 1600 3HB ALA 79 1HB ALA 79 -2.365 12.929 12.929 1601 H ALA 80 HN ALA 80 -4.987 16.735 16.735 1602 HA ALA 80 HA ALA 80 -6.232 15.624 15.624 1603 1HB ALA 80 2HB ALA 80 -7.214 17.085 17.085 1604 2HB ALA 80 1HB ALA 80 -7.256 18.202 18.202 1605 3HB ALA 80 3HB ALA 80 -8.083 16.647 16.647 1606 H THR 81 HN THR 81 -4.098 18.183 18.183 1607 HA THR 81 HA THR 81 -3.674 18.879 18.879 1608 HB THR 81 HB THR 81 -3.714 21.282 21.282 1609 HG1 THR 81 1HG THR 81 -4.239 22.026 22.026 1610 1HG2 THR 81 1HG2 THR 81 -5.806 20.063 20.063 1611 2HG2 THR 81 3HG2 THR 81 -6.292 20.116 20.116 1612 3HG2 THR 81 2HG2 THR 81 -6.032 21.618 21.618 1613 H GLU 82 HN GLU 82 -2.013 17.288 17.288 1614 HA GLU 82 HA GLU 82 0.367 18.971 18.971 1615 1HB GLU 82 2HB GLU 82 -0.594 17.083 17.083 1616 2HB GLU 82 1HB GLU 82 1.062 17.666 17.666 1617 1HG GLU 82 2HG GLU 82 -1.336 19.466 19.466 1618 2HG GLU 82 1HG GLU 82 -0.402 18.902 18.902 1619 H ASP 83 HN ASP 83 2.309 17.905 17.905 1620 HA ASP 83 HA ASP 83 2.186 15.827 15.827 1621 1HB ASP 83 2HB ASP 83 4.702 15.651 15.651 1622 2HB ASP 83 1HB ASP 83 4.096 17.208 17.208 1623 H LEU 84 HN LEU 84 2.851 13.643 13.643 1624 HA LEU 84 HA LEU 84 2.860 12.479 12.479 1625 1HB LEU 84 2HB LEU 84 1.457 11.342 11.342 1626 2HB LEU 84 1HB LEU 84 1.533 10.602 10.602 1627 HG LEU 84 HG LEU 84 0.228 13.270 13.270 1628 1HD1 LEU 84 1HD1 LEU 84 -0.831 11.331 11.331 1629 2HD1 LEU 84 3HD1 LEU 84 -1.175 10.638 10.638 1630 3HD1 LEU 84 2HD1 LEU 84 -1.872 12.193 12.193 1631 1HD2 LEU 84 2HD2 LEU 84 0.671 11.569 11.569 1632 2HD2 LEU 84 1HD2 LEU 84 0.498 13.319 13.319 1633 3HD2 LEU 84 3HD2 LEU 84 -0.932 12.287 12.287 1634 H ASN 85 HN ASN 85 5.048 13.143 13.143 1635 HA ASN 85 HA ASN 85 6.300 10.508 10.508 1636 1HB ASN 85 2HB ASN 85 5.504 11.975 11.975 1637 2HB ASN 85 1HB ASN 85 7.245 11.713 11.713 1638 1HD2 ASN 85 1HD2 ASN 85 4.211 10.347 10.347 1639 2HD2 ASN 85 2HD2 ASN 85 4.724 8.720 8.720 1640 H ASN 86 HN ASN 86 6.570 12.827 12.827 1641 HA ASN 86 HA ASN 86 9.293 13.711 13.711 1642 1HB ASN 86 2HB ASN 86 6.991 15.065 15.065 1643 2HB ASN 86 1HB ASN 86 8.545 15.381 15.381 1644 1HD2 ASN 86 2HD2 ASN 86 8.505 16.262 16.262 1645 2HD2 ASN 86 1HD2 ASN 86 8.020 14.706 14.706 1646 H ASP 87 HN ASP 87 7.434 11.881 11.881 1647 HA ASP 87 HA ASP 87 9.377 12.037 12.037 1648 1HB ASP 87 2HB ASP 87 6.851 10.426 10.426 1649 2HB ASP 87 1HB ASP 87 7.895 10.255 10.255 1650 H ARG 88 HN ARG 88 11.194 10.908 10.908 1651 HA ARG 88 HA ARG 88 11.171 8.141 8.141 1652 1HB ARG 88 2HB ARG 88 12.779 10.334 10.334 1653 2HB ARG 88 1HB ARG 88 13.419 8.697 8.697 1654 1HG ARG 88 2HG ARG 88 12.153 8.074 8.074 1655 2HG ARG 88 1HG ARG 88 10.696 8.707 8.707 1656 1HD ARG 88 2HD ARG 88 11.272 9.733 9.733 1657 2HD ARG 88 1HD ARG 88 11.062 10.874 10.874 1658 HE ARG 88 HE ARG 88 13.787 10.093 10.093 1659 1HH1 ARG 88 1HH2 ARG 88 11.300 12.194 12.194 1660 2HH1 ARG 88 2HH2 ARG 88 12.414 13.374 13.374 1661 1HH2 ARG 88 1HH1 ARG 88 15.264 11.639 11.639 1662 2HH2 ARG 88 2HH1 ARG 88 14.669 13.058 13.058 1663 H ILE 89 HN ILE 89 12.536 6.851 6.851 1664 HA ILE 89 HA ILE 89 14.176 8.151 8.151 1665 HB ILE 89 HB ILE 89 13.340 5.265 5.265 1666 1HG1 ILE 89 2HG1 ILE 89 11.779 7.628 7.628 1667 2HG1 ILE 89 1HG1 ILE 89 11.288 6.582 6.582 1668 1HG2 ILE 89 3HG2 ILE 89 14.365 7.258 7.258 1669 2HG2 ILE 89 2HG2 ILE 89 13.450 5.850 5.850 1670 3HG2 ILE 89 1HG2 ILE 89 14.953 5.636 5.636 1671 1HD1 ILE 89 2HD1 ILE 89 11.836 4.962 4.962 1672 2HD1 ILE 89 1HD1 ILE 89 10.771 6.282 6.282 1673 3HD1 ILE 89 3HD1 ILE 89 10.307 5.216 5.216 1674 H THR 90 HN THR 90 16.138 6.856 6.856 1675 HA THR 90 HA THR 90 17.307 5.180 5.180 1676 HB THR 90 HB THR 90 18.744 7.713 7.713 1677 HG1 THR 90 1HG THR 90 17.217 7.184 7.184 1678 1HG2 THR 90 3HG2 THR 90 19.970 5.632 5.632 1679 2HG2 THR 90 2HG2 THR 90 19.259 6.127 6.127 1680 3HG2 THR 90 1HG2 THR 90 20.324 7.228 7.228 1681 H ILE 91 HN ILE 91 18.359 3.594 3.594 1682 HA ILE 91 HA ILE 91 19.374 4.069 4.069 1683 HB ILE 91 HB ILE 91 18.618 1.411 1.411 1684 1HG1 ILE 91 2HG1 ILE 91 16.700 1.665 1.665 1685 2HG1 ILE 91 1HG1 ILE 91 17.048 3.388 3.388 1686 1HG2 ILE 91 1HG2 ILE 91 19.260 2.229 2.229 1687 2HG2 ILE 91 3HG2 ILE 91 18.710 0.630 0.630 1688 3HG2 ILE 91 2HG2 ILE 91 20.266 1.243 1.243 1689 1HD1 ILE 91 2HD1 ILE 91 16.775 2.125 2.125 1690 2HD1 ILE 91 1HD1 ILE 91 15.330 1.977 1.977 1691 3HD1 ILE 91 3HD1 ILE 91 16.001 3.570 3.570 1692 H GLU 92 HN GLU 92 21.502 4.056 4.056 1693 HA GLU 92 HA GLU 92 23.132 2.473 2.473 1694 1HB GLU 92 2HB GLU 92 24.874 4.258 4.258 1695 2HB GLU 92 1HB GLU 92 23.409 4.768 4.768 1696 1HG GLU 92 2HG GLU 92 23.327 5.283 5.283 1697 2HG GLU 92 1HG GLU 92 24.667 6.093 6.093 1698 H TRP 93 HN TRP 93 24.709 1.241 1.241 1699 HA TRP 93 HA TRP 93 25.443 1.686 1.686 1700 1HB TRP 93 2HB TRP 93 25.121 -0.678 -0.678 1701 2HB TRP 93 1HB TRP 93 23.605 0.063 0.063 1702 HD1 TRP 93 1HD TRP 93 25.750 -2.878 -2.878 1703 HE1 TRP 93 1HE TRP 93 24.903 -4.150 -4.150 1704 HE3 TRP 93 3HE TRP 93 22.494 0.617 0.617 1705 HZ2 TRP 93 2HZ TRP 93 23.093 -3.729 -3.729 1706 HZ3 TRP 93 3HZ TRP 93 21.244 0.103 0.103 1707 HH2 TRP 93 2HH TRP 93 21.539 -2.025 -2.025 1708 H THR 94 HN THR 94 27.484 0.970 0.970 1709 HA THR 94 HA THR 94 29.088 -0.258 -0.258 1710 HB THR 94 HB THR 94 29.628 2.089 2.089 1711 HG1 THR 94 1HG THR 94 31.534 1.244 1.244 1712 1HG2 THR 94 1HG2 THR 94 28.857 2.519 2.519 1713 2HG2 THR 94 3HG2 THR 94 30.479 2.014 2.014 1714 3HG2 THR 94 2HG2 THR 94 30.265 3.407 3.407 1715 H ASN 95 HN ASN 95 30.842 -1.539 -1.539 1716 HA ASN 95 HA ASN 95 30.431 -3.143 -3.143 1717 1HB ASN 95 2HB ASN 95 32.916 -2.542 -2.542 1718 2HB ASN 95 1HB ASN 95 32.936 -3.688 -3.688 1719 1HD2 ASN 95 2HD2 ASN 95 30.858 -6.064 -6.064 1720 2HD2 ASN 95 1HD2 ASN 95 31.140 -5.355 -5.355 1721 H THR 96 HN THR 96 30.984 -3.098 -3.098 1722 HA THR 96 HA THR 96 31.848 -0.578 -0.578 1723 HB THR 96 HB THR 96 31.694 -2.081 -2.081 1724 HG1 THR 96 1HG THR 96 31.254 -4.051 -4.051 1725 1HG2 THR 96 3HG2 THR 96 29.496 -0.916 -0.916 1726 2HG2 THR 96 2HG2 THR 96 29.102 -1.867 -1.867 1727 3HG2 THR 96 1HG2 THR 96 30.114 -0.431 -0.431 1728 HA PRO 97 HA PRO 97 36.210 -1.501 -1.501 1729 1HB PRO 97 2HB PRO 97 36.195 0.284 0.284 1730 2HB PRO 97 1HB PRO 97 37.180 0.368 0.368 1731 1HG PRO 97 2HG PRO 97 35.161 2.062 2.062 1732 2HG PRO 97 1HG PRO 97 35.500 1.392 1.392 1733 1HD PRO 97 2HD PRO 97 33.358 0.657 0.657 1734 2HD PRO 97 1HD PRO 97 33.289 0.749 0.749 1735 H ASP 98 HN ASP 98 37.795 -2.490 -2.490 1736 HA ASP 98 HA ASP 98 36.903 -4.612 -4.612 1737 1HB ASP 98 2HB ASP 98 39.565 -3.189 -3.189 1738 2HB ASP 98 1HB ASP 98 39.220 -4.804 -4.804 1739 H GLY 99 HN GLY 99 36.061 -4.806 -4.806 1740 1HA GLY 99 2HA GLY 99 35.347 -4.271 -4.271 1741 2HA GLY 99 1HA GLY 99 36.937 -3.551 -3.551 1742 H ALA 100 HN ALA 100 34.315 -2.586 -2.586 1743 HA ALA 100 HA ALA 100 34.601 0.152 0.152 1744 1HB ALA 100 2HB ALA 100 33.361 -1.124 -1.124 1745 2HB ALA 100 1HB ALA 100 31.966 -0.980 -0.980 1746 3HB ALA 100 3HB ALA 100 32.796 0.469 0.469 1747 H ALA 101 HN ALA 101 33.533 1.598 1.598 1748 HA ALA 101 HA ALA 101 32.714 0.720 0.720 1749 1HB ALA 101 3HB ALA 101 32.518 3.352 3.352 1750 2HB ALA 101 2HB ALA 101 31.841 3.121 3.121 1751 3HB ALA 101 1HB ALA 101 33.569 2.888 2.888 1752 H LYS 102 HN LYS 102 30.630 1.238 1.238 1753 HA LYS 102 HA LYS 102 28.473 0.186 0.186 1754 1HB LYS 102 2HB LYS 102 28.866 0.626 0.626 1755 2HB LYS 102 1HB LYS 102 27.245 0.387 0.387 1756 1HG LYS 102 2HG LYS 102 27.770 -1.761 -1.761 1757 2HG LYS 102 1HG LYS 102 28.383 -1.703 -1.703 1758 1HD LYS 102 2HD LYS 102 30.159 -2.653 -2.653 1759 2HD LYS 102 1HD LYS 102 30.599 -0.943 -0.943 1760 1HE LYS 102 2HE LYS 102 30.777 -1.081 -1.081 1761 2HE LYS 102 1HE LYS 102 29.027 -1.281 -1.281 1762 1HZ LYS 102 3HZ LYS 102 29.433 -3.713 -3.713 1763 2HZ LYS 102 2HZ LYS 102 31.083 -3.416 -3.416 1764 3HZ LYS 102 1HZ LYS 102 29.988 -3.075 -3.075 1765 H GLN 103 HN GLN 103 28.598 2.221 2.221 1766 HA GLN 103 HA GLN 103 26.349 3.815 3.815 1767 1HB GLN 103 2HB GLN 103 28.833 4.756 4.756 1768 2HB GLN 103 1HB GLN 103 28.127 5.936 5.936 1769 1HG GLN 103 2HG GLN 103 25.938 5.222 5.222 1770 2HG GLN 103 1HG GLN 103 27.174 4.955 4.955 1771 1HE2 GLN 103 2HE2 GLN 103 27.246 8.287 8.287 1772 2HE2 GLN 103 1HE2 GLN 103 27.359 6.622 6.622 1773 H PHE 104 HN PHE 104 25.684 4.574 4.574 1774 HA PHE 104 HA PHE 104 26.918 4.042 4.042 1775 1HB PHE 104 2HB PHE 104 24.570 4.655 4.655 1776 2HB PHE 104 1HB PHE 104 24.992 6.286 6.286 1777 HD1 PHE 104 1HD PHE 104 26.104 4.032 4.032 1778 HD2 PHE 104 2HD PHE 104 24.560 7.833 7.833 1779 HE1 PHE 104 1HE PHE 104 26.150 4.747 4.747 1780 HE2 PHE 104 2HE PHE 104 24.603 8.556 8.556 1781 HZ PHE 104 HZ PHE 104 25.400 7.013 7.013 1782 H ARG 105 HN ARG 105 28.563 4.867 4.867 1783 HA ARG 105 HA ARG 105 29.591 7.513 7.513 1784 1HB ARG 105 2HB ARG 105 30.978 4.929 4.929 1785 2HB ARG 105 1HB ARG 105 31.791 6.390 6.390 1786 1HG ARG 105 2HG ARG 105 32.167 7.133 7.133 1787 2HG ARG 105 1HG ARG 105 30.712 6.372 6.372 1788 1HD ARG 105 2HD ARG 105 31.734 4.295 4.295 1789 2HD ARG 105 1HD ARG 105 32.998 4.701 4.701 1790 HE ARG 105 HE ARG 105 33.049 6.282 6.282 1791 1HH1 ARG 105 1HH2 ARG 105 34.125 3.358 3.358 1792 2HH1 ARG 105 2HH2 ARG 105 35.506 3.164 3.164 1793 1HH2 ARG 105 1HH1 ARG 105 34.864 6.038 6.038 1794 2HH2 ARG 105 2HH1 ARG 105 35.926 4.689 4.689 1795 H ARG 106 HN ARG 106 30.468 8.833 8.833 1796 HA ARG 106 HA ARG 106 29.227 8.432 8.432 1797 1HB ARG 106 2HB ARG 106 29.227 10.639 10.639 1798 2HB ARG 106 1HB ARG 106 30.958 10.735 10.735 1799 1HG ARG 106 2HG ARG 106 30.626 10.858 10.858 1800 2HG ARG 106 1HG ARG 106 28.912 10.470 10.470 1801 1HD ARG 106 2HD ARG 106 28.359 12.572 12.572 1802 2HD ARG 106 1HD ARG 106 29.896 12.833 12.833 1803 HE ARG 106 HE ARG 106 30.696 13.793 13.793 1804 1HH1 ARG 106 1HH2 ARG 106 27.911 11.865 11.865 1805 2HH1 ARG 106 2HH2 ARG 106 27.865 12.386 12.386 1806 1HH2 ARG 106 1HH1 ARG 106 30.646 14.487 14.487 1807 2HH2 ARG 106 2HH1 ARG 106 29.421 13.877 13.877 1808 H GLU 107 HN GLU 107 32.453 8.539 8.539 1809 HA GLU 107 HA GLU 107 33.923 8.568 8.568 1810 1HB GLU 107 2HB GLU 107 34.482 8.431 8.431 1811 2HB GLU 107 1HB GLU 107 35.283 7.049 7.049 1812 1HG GLU 107 2HG GLU 107 36.419 8.522 8.522 1813 2HG GLU 107 1HG GLU 107 35.595 9.915 9.915 1814 H TRP 108 HN TRP 108 32.089 6.075 6.075 1815 HA TRP 108 HA TRP 108 33.401 3.769 3.769 1816 1HB TRP 108 2HB TRP 108 30.510 4.457 4.457 1817 2HB TRP 108 1HB TRP 108 30.950 2.874 2.874 1818 HD1 TRP 108 1HD TRP 108 33.680 3.460 3.460 1819 HE1 TRP 108 1HE TRP 108 33.280 2.517 2.517 1820 HE3 TRP 108 3HE TRP 108 28.615 2.808 2.808 1821 HZ2 TRP 108 2HZ TRP 108 31.105 1.616 1.616 1822 HZ3 TRP 108 3HZ TRP 108 27.451 1.901 1.901 1823 HH2 TRP 108 2HH TRP 108 28.672 1.317 1.317 1824 H PHE 109 HN PHE 109 31.830 6.125 6.125 1825 HA PHE 109 HA PHE 109 31.596 4.343 4.343 1826 1HB PHE 109 2HB PHE 109 30.919 7.250 7.250 1827 2HB PHE 109 1HB PHE 109 30.827 6.486 6.486 1828 HD1 PHE 109 2HD PHE 109 29.439 4.239 4.239 1829 HD2 PHE 109 1HD PHE 109 29.028 7.301 7.301 1830 HE1 PHE 109 2HE PHE 109 27.173 3.433 3.433 1831 HE2 PHE 109 1HE PHE 109 26.761 6.501 6.501 1832 HZ PHE 109 HZ PHE 109 25.831 4.563 4.563 1833 H GLN 110 HN GLN 110 33.655 6.929 6.929 1834 HA GLN 110 HA GLN 110 35.228 6.831 6.831 1835 1HB GLN 110 2HB GLN 110 36.404 8.814 8.814 1836 2HB GLN 110 1HB GLN 110 34.690 9.062 9.062 1837 1HG GLN 110 2HG GLN 110 34.216 9.339 9.339 1838 2HG GLN 110 1HG GLN 110 35.352 8.092 8.092 1839 1HE2 GLN 110 2HE2 GLN 110 36.294 11.824 11.824 1840 2HE2 GLN 110 1HE2 GLN 110 34.710 11.160 11.160 1841 H GLY 111 HN GLY 111 35.513 4.519 4.519 1842 1HA GLY 111 2HA GLY 111 38.206 4.737 4.737 1843 2HA GLY 111 1HA GLY 111 36.986 3.710 3.710 1844 H ASP 112 HN ASP 112 37.237 1.636 1.636 1845 HA ASP 112 HA ASP 112 38.486 0.898 0.898 1846 1HB ASP 112 2HB ASP 112 38.676 -0.192 -0.192 1847 2HB ASP 112 1HB ASP 112 38.640 -1.380 -1.380 1848 H GLY 113 HN GLY 113 37.560 -0.653 -0.653 1849 1HA GLY 113 2HA GLY 113 35.975 -2.412 -2.412 1850 2HA GLY 113 1HA GLY 113 34.957 -1.736 -1.736 1851 H MET 114 HN MET 114 33.395 -2.105 -2.105 1852 HA MET 114 HA MET 114 33.350 0.282 0.282 1853 1HB MET 114 2HB MET 114 32.049 -2.392 -2.392 1854 2HB MET 114 1HB MET 114 32.086 -1.008 -1.008 1855 1HG MET 114 2HG MET 114 33.971 -1.739 -1.739 1856 2HG MET 114 1HG MET 114 34.757 -1.617 -1.617 1857 1HE MET 114 2HE MET 114 36.417 -3.468 -3.468 1858 2HE MET 114 1HE MET 114 35.755 -3.665 -3.665 1859 3HE MET 114 3HE MET 114 36.003 -5.076 -5.076 1860 H VAL 115 HN VAL 115 31.433 1.419 1.419 1861 HA VAL 115 HA VAL 115 29.541 1.045 1.045 1862 HB VAL 115 HB VAL 115 29.682 3.288 3.288 1863 1HG1 VAL 115 1HG1 VAL 115 28.025 2.775 2.775 1864 2HG1 VAL 115 3HG1 VAL 115 28.453 4.432 4.432 1865 3HG1 VAL 115 2HG1 VAL 115 27.552 3.433 3.433 1866 1HG2 VAL 115 1HG2 VAL 115 31.728 3.063 3.063 1867 2HG2 VAL 115 3HG2 VAL 115 30.852 4.571 4.571 1868 3HG2 VAL 115 2HG2 VAL 115 30.719 3.259 3.259 1869 H ARG 116 HN ARG 116 27.292 0.924 0.924 1870 HA ARG 116 HA ARG 116 26.450 0.071 0.071 1871 1HB ARG 116 2HB ARG 116 26.559 -1.563 -1.563 1872 2HB ARG 116 1HB ARG 116 24.924 -0.938 -0.938 1873 1HG ARG 116 2HG ARG 116 25.030 -3.052 -3.052 1874 2HG ARG 116 1HG ARG 116 24.343 -1.727 -1.727 1875 1HD ARG 116 2HD ARG 116 27.151 -1.730 -1.730 1876 2HD ARG 116 1HD ARG 116 26.573 -3.381 -3.381 1877 HE ARG 116 HE ARG 116 24.895 -1.589 -1.589 1878 1HH1 ARG 116 1HH2 ARG 116 28.074 -3.006 -3.006 1879 2HH1 ARG 116 2HH2 ARG 116 28.185 -2.903 -2.903 1880 1HH2 ARG 116 1HH1 ARG 116 25.030 -1.449 -1.449 1881 2HH2 ARG 116 2HH1 ARG 116 26.454 -2.017 -2.017 1882 H ARG 117 HN ARG 117 24.554 0.869 0.869 1883 HA ARG 117 HA ARG 117 23.029 2.686 2.686 1884 1HB ARG 117 2HB ARG 117 24.480 3.983 3.983 1885 2HB ARG 117 1HB ARG 117 23.761 3.174 3.174 1886 1HG ARG 117 2HG ARG 117 21.773 4.315 4.315 1887 2HG ARG 117 1HG ARG 117 22.008 4.649 4.649 1888 1HD ARG 117 2HD ARG 117 23.585 5.885 5.885 1889 2HD ARG 117 1HD ARG 117 22.260 6.664 6.664 1890 HE ARG 117 HE ARG 117 24.193 5.833 5.833 1891 1HH1 ARG 117 1HH2 ARG 117 23.759 8.162 8.162 1892 2HH1 ARG 117 2HH2 ARG 117 24.857 9.313 9.313 1893 1HH2 ARG 117 1HH1 ARG 117 25.638 7.340 7.340 1894 2HH2 ARG 117 2HH1 ARG 117 25.926 8.845 8.845 1895 H LYS 118 HN LYS 118 20.825 2.818 2.818 1896 HA LYS 118 HA LYS 118 19.624 1.176 1.176 1897 1HB LYS 118 2HB LYS 118 19.925 0.171 0.171 1898 2HB LYS 118 1HB LYS 118 18.263 0.746 0.746 1899 1HG LYS 118 2HG LYS 118 18.209 -0.562 -0.562 1900 2HG LYS 118 1HG LYS 118 19.561 -1.435 -1.435 1901 1HD LYS 118 2HD LYS 118 18.131 -2.651 -2.651 1902 2HD LYS 118 1HD LYS 118 17.536 -1.184 -1.184 1903 1HE LYS 118 2HE LYS 118 15.634 -2.169 -2.169 1904 2HE LYS 118 1HE LYS 118 16.077 -0.872 -0.872 1905 1HZ LYS 118 1HZ LYS 118 17.276 -3.441 -3.441 1906 2HZ LYS 118 3HZ LYS 118 15.593 -3.396 -3.396 1907 3HZ LYS 118 2HZ LYS 118 16.556 -2.320 -2.320 1908 H ASN 119 HN ASN 119 17.313 1.567 1.567 1909 HA ASN 119 HA ASN 119 16.471 4.147 4.147 1910 1HB ASN 119 2HB ASN 119 16.220 3.248 3.248 1911 2HB ASN 119 1HB ASN 119 15.397 4.654 4.654 1912 1HD2 ASN 119 2HD2 ASN 119 18.856 5.278 5.278 1913 2HD2 ASN 119 1HD2 ASN 119 17.649 4.123 4.123 1914 H LEU 120 HN LEU 120 14.278 4.436 4.436 1915 HA LEU 120 HA LEU 120 12.502 2.155 2.155 1916 1HB LEU 120 2HB LEU 120 13.434 3.165 3.165 1917 2HB LEU 120 1HB LEU 120 11.689 3.044 3.044 1918 HG LEU 120 HG LEU 120 12.549 1.022 1.022 1919 1HD1 LEU 120 3HD1 LEU 120 10.664 0.898 0.898 1920 2HD1 LEU 120 2HD1 LEU 120 11.840 0.405 0.405 1921 3HD1 LEU 120 1HD1 LEU 120 11.570 -0.601 -0.601 1922 1HD2 LEU 120 3HD2 LEU 120 14.777 1.443 1.443 1923 2HD2 LEU 120 2HD2 LEU 120 14.411 -0.047 -0.047 1924 3HD2 LEU 120 1HD2 LEU 120 14.019 0.093 0.093 1925 HA PRO 121 HA PRO 121 10.576 6.122 6.122 1926 1HB PRO 121 2HB PRO 121 8.884 4.827 4.827 1927 2HB PRO 121 1HB PRO 121 10.489 5.433 5.433 1928 1HG PRO 121 2HG PRO 121 9.639 2.661 2.661 1929 2HG PRO 121 1HG PRO 121 10.786 3.195 3.195 1930 1HD PRO 121 2HD PRO 121 11.622 2.194 2.194 1931 2HD PRO 121 1HD PRO 121 12.494 3.513 3.513 1932 H ILE 122 HN ILE 122 8.611 7.009 7.009 1933 HA ILE 122 HA ILE 122 6.901 5.356 5.356 1934 HB ILE 122 HB ILE 122 6.917 8.363 8.363 1935 1HG1 ILE 122 2HG1 ILE 122 9.051 7.727 7.727 1936 2HG1 ILE 122 1HG1 ILE 122 8.073 8.279 8.279 1937 1HG2 ILE 122 3HG2 ILE 122 5.628 6.511 6.511 1938 2HG2 ILE 122 2HG2 ILE 122 5.710 8.264 8.264 1939 3HG2 ILE 122 1HG2 ILE 122 4.816 7.551 7.551 1940 1HD1 ILE 122 2HD1 ILE 122 7.557 5.599 5.599 1941 2HD1 ILE 122 1HD1 ILE 122 9.249 5.668 5.668 1942 3HD1 ILE 122 3HD1 ILE 122 8.746 6.407 6.407 1943 H GLU 123 HN GLU 123 4.614 5.439 5.439 1944 HA GLU 123 HA GLU 123 3.534 6.594 6.594 1945 1HB GLU 123 2HB GLU 123 4.227 4.132 4.132 1946 2HB GLU 123 1HB GLU 123 2.863 3.759 3.759 1947 1HG GLU 123 2HG GLU 123 2.051 3.520 3.520 1948 2HG GLU 123 1HG GLU 123 1.438 5.079 5.079 1949 H TYR 124 HN TYR 124 1.232 6.839 6.839 1950 HA TYR 124 HA TYR 124 0.110 6.828 6.828 1951 1HB TYR 124 2HB TYR 124 -0.764 8.618 8.618 1952 2HB TYR 124 1HB TYR 124 -1.172 8.765 8.765 1953 HD1 TYR 124 1HD TYR 124 1.826 8.729 8.729 1954 HD2 TYR 124 2HD TYR 124 0.000 10.297 10.297 1955 HE1 TYR 124 1HE TYR 124 3.745 10.233 10.233 1956 HE2 TYR 124 2HE TYR 124 1.912 11.806 11.806 1957 HH TYR 124 HH TYR 124 3.706 12.859 12.859 1958 H ASN 125 HN ASN 125 -1.612 5.609 5.609 1959 HA ASN 125 HA ASN 125 -3.063 4.496 4.496 1960 1HB ASN 125 2HB ASN 125 -1.787 3.105 3.105 1961 2HB ASN 125 1HB ASN 125 -3.391 3.235 3.235 1962 1HD2 ASN 125 2HD2 ASN 125 -4.250 0.365 0.365 1963 2HD2 ASN 125 1HD2 ASN 125 -4.029 1.164 1.164 1964 H LEU 126 HN LEU 126 -4.413 6.372 6.372 1965 HA LEU 126 HA LEU 126 -6.087 7.082 7.082 1966 1HB LEU 126 2HB LEU 126 -6.341 7.873 7.873 1967 2HB LEU 126 1HB LEU 126 -7.138 8.642 8.642 1968 HG LEU 126 HG LEU 126 -4.145 8.539 8.539 1969 1HD1 LEU 126 2HD1 LEU 126 -5.989 10.390 10.390 1970 2HD1 LEU 126 1HD1 LEU 126 -4.361 10.877 10.877 1971 3HD1 LEU 126 3HD1 LEU 126 -4.591 9.505 9.505 1972 1HD2 LEU 126 3HD2 LEU 126 -5.602 9.268 9.268 1973 2HD2 LEU 126 2HD2 LEU 126 -4.208 10.241 10.241 1974 3HD2 LEU 126 1HD2 LEU 126 -5.834 10.748 10.748 Start of MODEL 3 1 1H ALA 1 2HN ALA 1 -44.542 8.802 8.802 2 2H ALA 1 1HN ALA 1 -45.062 8.697 8.697 3 3H ALA 1 3HN ALA 1 -43.559 8.018 8.018 4 HA ALA 1 HA ALA 1 -43.126 10.003 10.003 5 1HB ALA 1 3HB ALA 1 -45.455 10.897 10.897 6 2HB ALA 1 2HB ALA 1 -44.873 11.441 11.441 7 3HB ALA 1 1HB ALA 1 -44.145 12.074 12.074 8 H GLN 2 HN GLN 2 -41.457 11.429 11.429 9 HA GLN 2 HA GLN 2 -39.666 12.081 12.081 10 1HB GLN 2 2HB GLN 2 -41.911 12.075 12.075 11 2HB GLN 2 1HB GLN 2 -40.358 11.841 11.841 12 1HG GLN 2 2HG GLN 2 -40.427 13.994 13.994 13 2HG GLN 2 1HG GLN 2 -41.445 14.246 14.246 14 1HE2 GLN 2 2HE2 GLN 2 -38.716 15.528 15.528 15 2HE2 GLN 2 1HE2 GLN 2 -40.348 15.706 15.706 16 H SER 3 HN SER 3 -37.840 11.137 11.137 17 HA SER 3 HA SER 3 -38.072 8.457 8.457 18 1HB SER 3 2HB SER 3 -35.849 8.089 8.089 19 2HB SER 3 1HB SER 3 -37.457 7.695 7.695 20 HG SER 3 HG SER 3 -36.153 8.998 8.998 21 H VAL 4 HN VAL 4 -35.899 7.723 7.723 22 HA VAL 4 HA VAL 4 -34.182 9.919 9.919 23 HB VAL 4 HB VAL 4 -34.287 9.237 9.237 24 1HG1 VAL 4 3HG1 VAL 4 -36.920 10.070 10.070 25 2HG1 VAL 4 2HG1 VAL 4 -36.501 10.216 10.216 26 3HG1 VAL 4 1HG1 VAL 4 -35.602 11.133 11.133 27 1HG2 VAL 4 2HG2 VAL 4 -35.978 7.141 7.141 28 2HG2 VAL 4 1HG2 VAL 4 -35.095 7.192 7.192 29 3HG2 VAL 4 3HG2 VAL 4 -36.690 7.935 7.935 30 HA PRO 5 HA PRO 5 -31.581 6.293 6.293 31 1HB PRO 5 2HB PRO 5 -29.373 7.657 7.657 32 2HB PRO 5 1HB PRO 5 -30.748 7.498 7.498 33 1HG PRO 5 2HG PRO 5 -29.988 9.796 9.796 34 2HG PRO 5 1HG PRO 5 -30.560 9.814 9.814 35 1HD PRO 5 2HD PRO 5 -32.170 10.319 10.319 36 2HD PRO 5 1HD PRO 5 -32.761 9.650 9.650 37 HA PRO 6 HA PRO 6 -29.355 6.049 6.049 38 1HB PRO 6 2HB PRO 6 -27.394 4.301 4.301 39 2HB PRO 6 1HB PRO 6 -29.087 3.812 3.812 40 1HG PRO 6 2HG PRO 6 -27.467 4.415 4.415 41 2HG PRO 6 1HG PRO 6 -28.621 3.097 3.097 42 1HD PRO 6 2HD PRO 6 -29.245 5.359 5.359 43 2HD PRO 6 1HD PRO 6 -30.438 4.425 4.425 44 H GLY 7 HN GLY 7 -28.309 7.867 7.867 45 1HA GLY 7 2HA GLY 7 -26.454 9.345 9.345 46 2HA GLY 7 1HA GLY 7 -26.536 9.288 9.288 47 H ASP 8 HN ASP 8 -24.357 9.202 9.202 48 HA ASP 8 HA ASP 8 -22.942 6.817 6.817 49 1HB ASP 8 2HB ASP 8 -21.727 9.577 9.577 50 2HB ASP 8 1HB ASP 8 -21.014 8.058 8.058 51 H ILE 9 HN ILE 9 -21.430 5.993 5.993 52 HA ILE 9 HA ILE 9 -21.244 7.312 7.312 53 HB ILE 9 HB ILE 9 -20.603 5.145 5.145 54 1HG1 ILE 9 2HG1 ILE 9 -21.165 3.815 3.815 55 2HG1 ILE 9 1HG1 ILE 9 -19.563 4.484 4.484 56 1HG2 ILE 9 1HG2 ILE 9 -23.103 5.381 5.381 57 2HG2 ILE 9 3HG2 ILE 9 -22.749 3.868 3.868 58 3HG2 ILE 9 2HG2 ILE 9 -22.884 5.367 5.367 59 1HD1 ILE 9 2HD1 ILE 9 -20.515 2.861 2.861 60 2HD1 ILE 9 1HD1 ILE 9 -20.424 1.972 1.972 61 3HD1 ILE 9 3HD1 ILE 9 -18.995 2.791 2.791 62 H ASN 10 HN ASN 10 -19.271 7.620 7.620 63 HA ASN 10 HA ASN 10 -16.982 7.776 7.776 64 1HB ASN 10 2HB ASN 10 -17.895 9.239 9.239 65 2HB ASN 10 1HB ASN 10 -16.207 8.760 8.760 66 1HD2 ASN 10 2HD2 ASN 10 -17.188 11.868 11.868 67 2HD2 ASN 10 1HD2 ASN 10 -18.243 11.091 11.091 68 H THR 11 HN THR 11 -15.043 6.728 6.728 69 HA THR 11 HA THR 11 -14.921 4.818 4.818 70 HB THR 11 HB THR 11 -13.675 3.398 3.398 71 HG1 THR 11 1HG THR 11 -15.016 3.545 3.545 72 1HG2 THR 11 3HG2 THR 11 -15.501 2.600 2.600 73 2HG2 THR 11 2HG2 THR 11 -16.659 3.325 3.325 74 3HG2 THR 11 1HG2 THR 11 -15.609 2.016 2.016 75 H GLN 12 HN GLN 12 -12.828 4.208 4.208 76 HA GLN 12 HA GLN 12 -10.607 5.765 5.765 77 1HB GLN 12 2HB GLN 12 -11.683 5.843 5.843 78 2HB GLN 12 1HB GLN 12 -9.933 5.806 5.806 79 1HG GLN 12 2HG GLN 12 -9.832 7.871 7.871 80 2HG GLN 12 1HG GLN 12 -11.449 7.751 7.751 81 1HE2 GLN 12 2HE2 GLN 12 -11.940 10.209 10.209 82 2HE2 GLN 12 1HE2 GLN 12 -11.353 10.022 10.022 83 HA PRO 13 HA PRO 13 -8.671 5.399 5.399 84 1HB PRO 13 2HB PRO 13 -8.049 3.685 3.685 85 2HB PRO 13 1HB PRO 13 -6.936 4.117 4.117 86 1HG PRO 13 2HG PRO 13 -8.658 1.687 1.687 87 2HG PRO 13 1HG PRO 13 -6.977 1.809 1.809 88 1HD PRO 13 2HD PRO 13 -9.009 1.518 1.518 89 2HD PRO 13 1HD PRO 13 -7.593 2.518 2.518 90 H SER 14 HN SER 14 -9.370 6.045 6.045 91 HA SER 14 HA SER 14 -12.064 6.196 6.196 92 1HB SER 14 2HB SER 14 -10.445 7.581 7.581 93 2HB SER 14 1HB SER 14 -10.002 6.186 6.186 94 HG SER 14 HG SER 14 -11.748 7.832 7.832 95 H GLN 15 HN GLN 15 -10.100 4.183 4.183 96 HA GLN 15 HA GLN 15 -11.938 1.967 1.967 97 1HB GLN 15 2HB GLN 15 -11.602 2.814 2.814 98 2HB GLN 15 1HB GLN 15 -12.953 2.002 2.002 99 1HG GLN 15 2HG GLN 15 -13.835 4.015 4.015 100 2HG GLN 15 1HG GLN 15 -12.337 4.894 4.894 101 1HE2 GLN 15 2HE2 GLN 15 -13.819 6.126 6.126 102 2HE2 GLN 15 1HE2 GLN 15 -13.123 6.440 6.440 103 H LYS 16 HN LYS 16 -9.192 2.239 2.239 104 HA LYS 16 HA LYS 16 -8.178 0.005 0.005 105 1HB LYS 16 2HB LYS 16 -6.096 1.266 1.266 106 2HB LYS 16 1HB LYS 16 -7.569 1.513 1.513 107 1HG LYS 16 2HG LYS 16 -7.610 3.488 3.488 108 2HG LYS 16 1HG LYS 16 -5.939 3.425 3.425 109 1HD LYS 16 2HD LYS 16 -8.360 3.660 3.660 110 2HD LYS 16 1HD LYS 16 -7.344 5.011 5.011 111 1HE LYS 16 2HE LYS 16 -5.939 4.589 4.589 112 2HE LYS 16 1HE LYS 16 -5.660 2.968 2.968 113 1HZ LYS 16 2HZ LYS 16 -7.981 3.634 3.634 114 2HZ LYS 16 1HZ LYS 16 -6.504 3.102 3.102 115 3HZ LYS 16 3HZ LYS 16 -7.394 2.100 2.100 116 H ILE 17 HN ILE 17 -6.649 -1.068 -1.068 117 HA ILE 17 HA ILE 17 -5.173 0.278 0.278 118 HB ILE 17 HB ILE 17 -7.204 -0.430 -0.430 119 1HG1 ILE 17 2HG1 ILE 17 -5.078 -2.399 -2.399 120 2HG1 ILE 17 1HG1 ILE 17 -4.820 -0.667 -0.667 121 1HG2 ILE 17 1HG2 ILE 17 -7.614 -2.324 -2.324 122 2HG2 ILE 17 3HG2 ILE 17 -6.538 -3.282 -3.282 123 3HG2 ILE 17 2HG2 ILE 17 -8.028 -2.619 -2.619 124 1HD1 ILE 17 2HD1 ILE 17 -7.337 -1.194 -1.194 125 2HD1 ILE 17 1HD1 ILE 17 -6.272 -2.483 -2.483 126 3HD1 ILE 17 3HD1 ILE 17 -5.844 -0.796 -0.796 127 H VAL 18 HN VAL 18 -3.202 -0.632 -0.632 128 HA VAL 18 HA VAL 18 -2.604 -3.126 -3.126 129 HB VAL 18 HB VAL 18 -0.708 -0.831 -0.831 130 1HG1 VAL 18 2HG1 VAL 18 0.147 -3.271 -3.271 131 2HG1 VAL 18 1HG1 VAL 18 -0.229 -3.094 -3.094 132 3HG1 VAL 18 3HG1 VAL 18 0.934 -2.010 -2.010 133 1HG2 VAL 18 2HG2 VAL 18 -2.729 -0.909 -0.909 134 2HG2 VAL 18 1HG2 VAL 18 -1.270 0.078 0.078 135 3HG2 VAL 18 3HG2 VAL 18 -1.334 -1.490 -1.490 136 H PHE 19 HN PHE 19 -2.209 -4.762 -4.762 137 HA PHE 19 HA PHE 19 -1.576 -4.395 -4.395 138 1HB PHE 19 2HB PHE 19 -1.911 -6.766 -6.766 139 2HB PHE 19 1HB PHE 19 -1.193 -6.981 -6.981 140 HD1 PHE 19 1HD PHE 19 -3.898 -4.628 -4.628 141 HD2 PHE 19 2HD PHE 19 -2.844 -8.221 -8.221 142 HE1 PHE 19 1HE PHE 19 -6.145 -4.721 -4.721 143 HE2 PHE 19 2HE PHE 19 -5.089 -8.320 -8.320 144 HZ PHE 19 HZ PHE 19 -6.743 -6.570 -6.570 145 H ASN 20 HN ASN 20 0.374 -3.385 -3.385 146 HA ASN 20 HA ASN 20 2.703 -4.077 -4.077 147 1HB ASN 20 2HB ASN 20 2.385 -2.526 -2.526 148 2HB ASN 20 1HB ASN 20 3.883 -2.645 -2.645 149 1HD2 ASN 20 2HD2 ASN 20 1.021 -0.024 -0.024 150 2HD2 ASN 20 1HD2 ASN 20 0.895 -1.069 -1.069 151 H ALA 21 HN ALA 21 4.326 -5.436 -5.436 152 HA ALA 21 HA ALA 21 3.941 -7.528 -7.528 153 1HB ALA 21 3HB ALA 21 5.350 -7.205 -7.205 154 2HB ALA 21 2HB ALA 21 6.587 -7.457 -7.457 155 3HB ALA 21 1HB ALA 21 5.300 -8.644 -8.644 156 HA PRO 22 HA PRO 22 6.092 -8.995 -8.995 157 1HB PRO 22 2HB PRO 22 7.015 -10.157 -10.157 158 2HB PRO 22 1HB PRO 22 8.084 -9.219 -9.219 159 1HG PRO 22 2HG PRO 22 6.789 -8.425 -8.425 160 2HG PRO 22 1HG PRO 22 8.446 -8.130 -8.130 161 1HD PRO 22 2HD PRO 22 6.410 -6.283 -6.283 162 2HD PRO 22 1HD PRO 22 7.837 -6.279 -6.279 163 H TYR 23 HN TYR 23 4.984 -10.940 -10.940 164 HA TYR 23 HA TYR 23 2.562 -10.371 -10.371 165 1HB TYR 23 2HB TYR 23 3.168 -12.457 -12.457 166 2HB TYR 23 1HB TYR 23 1.683 -12.440 -12.440 167 HD1 TYR 23 2HD TYR 23 0.763 -9.792 -9.792 168 HD2 TYR 23 1HD TYR 23 2.809 -11.729 -11.729 169 HE1 TYR 23 2HE TYR 23 -0.239 -8.214 -8.214 170 HE2 TYR 23 1HE TYR 23 1.811 -10.158 -10.158 171 HH TYR 23 HH TYR 23 0.809 -7.981 -7.981 172 H ASP 24 HN ASP 24 4.776 -10.798 -10.798 173 HA ASP 24 HA ASP 24 4.281 -13.480 -13.480 174 1HB ASP 24 2HB ASP 24 6.901 -11.981 -11.981 175 2HB ASP 24 1HB ASP 24 6.650 -13.476 -13.476 176 H ASP 25 HN ASP 25 3.577 -10.401 -10.401 177 HA ASP 25 HA ASP 25 3.769 -10.734 -10.734 178 1HB ASP 25 2HB ASP 25 5.526 -9.130 -9.130 179 2HB ASP 25 1HB ASP 25 4.164 -8.025 -8.025 180 H LYS 26 HN LYS 26 1.699 -10.584 -10.584 181 HA LYS 26 HA LYS 26 -0.504 -10.067 -10.067 182 1HB LYS 26 2HB LYS 26 -0.274 -9.572 -9.572 183 2HB LYS 26 1HB LYS 26 -1.790 -9.640 -9.640 184 1HG LYS 26 2HG LYS 26 -1.255 -11.968 -11.968 185 2HG LYS 26 1HG LYS 26 0.185 -11.880 -11.880 186 1HD LYS 26 2HD LYS 26 -1.002 -12.267 -12.267 187 2HD LYS 26 1HD LYS 26 -2.171 -11.011 -11.011 188 1HE LYS 26 2HE LYS 26 -3.566 -12.479 -12.479 189 2HE LYS 26 1HE LYS 26 -2.264 -13.615 -13.615 190 1HZ LYS 26 3HZ LYS 26 -2.208 -14.131 -14.131 191 2HZ LYS 26 2HZ LYS 26 -3.590 -13.179 -13.179 192 3HZ LYS 26 1HZ LYS 26 -3.656 -14.569 -14.569 193 H HIS 27 HN HIS 27 -1.645 -8.308 -8.308 194 HA HIS 27 HA HIS 27 -0.897 -5.677 -5.677 195 1HB HIS 27 2HB HIS 27 -0.475 -6.668 -6.668 196 2HB HIS 27 1HB HIS 27 -1.140 -5.044 -5.044 197 HD1 HIS 27 1HD HIS 27 0.432 -3.800 -3.800 198 HD2 HIS 27 2HD HIS 27 2.150 -6.388 -6.388 199 HE1 HIS 27 1HE HIS 27 2.911 -3.302 -3.302 200 H THR 28 HN THR 28 -2.866 -5.369 -5.369 201 HA THR 28 HA THR 28 -5.335 -5.899 -5.899 202 HB THR 28 HB THR 28 -4.943 -4.206 -4.206 203 HG1 THR 28 1HG THR 28 -5.067 -7.017 -7.017 204 1HG2 THR 28 3HG2 THR 28 -7.265 -5.721 -5.721 205 2HG2 THR 28 2HG2 THR 28 -7.156 -5.321 -5.321 206 3HG2 THR 28 1HG2 THR 28 -7.180 -4.035 -4.035 207 H TYR 29 HN TYR 29 -6.192 -4.666 -4.666 208 HA TYR 29 HA TYR 29 -5.418 -1.839 -1.839 209 1HB TYR 29 2HB TYR 29 -6.647 -3.672 -3.672 210 2HB TYR 29 1HB TYR 29 -6.327 -1.960 -1.960 211 HD1 TYR 29 2HD TYR 29 -3.939 -1.149 -1.149 212 HD2 TYR 29 1HD TYR 29 -4.942 -5.283 -5.283 213 HE1 TYR 29 2HE TYR 29 -1.648 -1.684 -1.684 214 HE2 TYR 29 1HE TYR 29 -2.654 -5.829 -5.829 215 HH TYR 29 HH TYR 29 -0.312 -4.646 -4.646 216 H HIS 30 HN HIS 30 -6.779 -0.500 -0.500 217 HA HIS 30 HA HIS 30 -9.561 -1.194 -1.194 218 1HB HIS 30 2HB HIS 30 -7.714 0.886 0.886 219 2HB HIS 30 1HB HIS 30 -9.423 1.304 1.304 220 HD1 HIS 30 1HD HIS 30 -6.968 -0.760 -0.760 221 HD2 HIS 30 2HD HIS 30 -11.087 -0.260 -0.260 222 HE1 HIS 30 1HE HIS 30 -7.926 -1.885 -1.885 223 H ILE 31 HN ILE 31 -11.281 -0.372 -0.372 224 HA ILE 31 HA ILE 31 -10.752 1.573 1.573 225 HB ILE 31 HB ILE 31 -12.939 -0.509 -0.509 226 1HG1 ILE 31 2HG1 ILE 31 -10.413 -0.363 -0.363 227 2HG1 ILE 31 1HG1 ILE 31 -10.785 -1.547 -1.547 228 1HG2 ILE 31 1HG2 ILE 31 -12.271 1.592 1.592 229 2HG2 ILE 31 3HG2 ILE 31 -13.238 0.170 0.170 230 3HG2 ILE 31 2HG2 ILE 31 -13.803 1.315 1.315 231 1HD1 ILE 31 1HD1 ILE 31 -12.587 -1.293 -1.293 232 2HD1 ILE 31 3HD1 ILE 31 -11.054 -2.152 -2.152 233 3HD1 ILE 31 2HD1 ILE 31 -12.254 -2.693 -2.693 234 H LYS 32 HN LYS 32 -11.983 3.396 3.396 235 HA LYS 32 HA LYS 32 -13.953 3.794 3.794 236 1HB LYS 32 2HB LYS 32 -11.762 5.416 5.416 237 2HB LYS 32 1HB LYS 32 -13.280 6.301 6.301 238 1HG LYS 32 2HG LYS 32 -13.323 5.089 5.089 239 2HG LYS 32 1HG LYS 32 -11.626 5.526 5.526 240 1HD LYS 32 2HD LYS 32 -12.939 7.768 7.768 241 2HD LYS 32 1HD LYS 32 -13.960 7.223 7.223 242 1HE LYS 32 2HE LYS 32 -12.340 8.723 8.723 243 2HE LYS 32 1HE LYS 32 -11.903 7.094 7.094 244 1HZ LYS 32 2HZ LYS 32 -10.711 8.302 8.302 245 2HZ LYS 32 1HZ LYS 32 -10.068 8.608 8.608 246 3HZ LYS 32 3HZ LYS 32 -10.127 7.024 7.024 247 H ILE 33 HN ILE 33 -16.006 4.074 4.074 248 HA ILE 33 HA ILE 33 -16.631 4.886 4.886 249 HB ILE 33 HB ILE 33 -18.345 3.099 3.099 250 1HG1 ILE 33 2HG1 ILE 33 -16.817 2.141 2.141 251 2HG1 ILE 33 1HG1 ILE 33 -16.024 2.214 2.214 252 1HG2 ILE 33 2HG2 ILE 33 -18.583 4.269 4.269 253 2HG2 ILE 33 1HG2 ILE 33 -19.159 2.617 2.617 254 3HG2 ILE 33 3HG2 ILE 33 -19.828 3.924 3.924 255 1HD1 ILE 33 3HD1 ILE 33 -18.646 0.819 0.819 256 2HD1 ILE 33 2HD1 ILE 33 -17.141 0.018 0.018 257 3HD1 ILE 33 1HD1 ILE 33 -17.377 0.575 0.575 258 H THR 34 HN THR 34 -18.574 6.119 6.119 259 HA THR 34 HA THR 34 -19.844 7.235 7.235 260 HB THR 34 HB THR 34 -18.244 8.920 8.920 261 HG1 THR 34 1HG THR 34 -16.888 8.460 8.460 262 1HG2 THR 34 3HG2 THR 34 -20.150 9.832 9.832 263 2HG2 THR 34 2HG2 THR 34 -18.986 10.865 10.865 264 3HG2 THR 34 1HG2 THR 34 -20.296 10.107 10.107 265 H ASN 35 HN ASN 35 -21.705 8.540 8.540 266 HA ASN 35 HA ASN 35 -23.008 7.646 7.646 267 1HB ASN 35 2HB ASN 35 -23.902 7.719 7.719 268 2HB ASN 35 1HB ASN 35 -24.600 9.193 9.193 269 1HD2 ASN 35 2HD2 ASN 35 -26.209 7.110 7.110 270 2HD2 ASN 35 1HD2 ASN 35 -24.948 8.291 8.291 271 H ALA 36 HN ALA 36 -22.738 8.971 8.971 272 HA ALA 36 HA ALA 36 -22.563 11.856 11.856 273 1HB ALA 36 1HB ALA 36 -21.194 10.162 10.162 274 2HB ALA 36 3HB ALA 36 -22.356 10.932 10.932 275 3HB ALA 36 2HB ALA 36 -21.246 11.921 11.921 276 H GLY 37 HN GLY 37 -25.084 10.194 10.194 277 1HA GLY 37 2HA GLY 37 -26.606 11.603 11.603 278 2HA GLY 37 1HA GLY 37 -27.070 10.049 10.049 279 H GLY 38 HN GLY 38 -29.129 10.842 10.842 280 1HA GLY 38 2HA GLY 38 -29.109 12.753 12.753 281 2HA GLY 38 1HA GLY 38 -30.419 12.643 12.643 282 H ARG 39 HN ARG 39 -29.996 9.596 9.596 283 HA ARG 39 HA ARG 39 -31.415 9.182 9.182 284 1HB ARG 39 2HB ARG 39 -31.900 7.527 7.527 285 2HB ARG 39 1HB ARG 39 -32.893 7.648 7.648 286 1HG ARG 39 2HG ARG 39 -32.679 10.239 10.239 287 2HG ARG 39 1HG ARG 39 -33.099 9.105 9.105 288 1HD ARG 39 2HD ARG 39 -34.573 8.698 8.698 289 2HD ARG 39 1HD ARG 39 -34.873 10.256 10.256 290 HE ARG 39 HE ARG 39 -35.073 8.360 8.360 291 1HH1 ARG 39 1HH2 ARG 39 -36.664 9.068 9.068 292 2HH1 ARG 39 2HH2 ARG 39 -38.187 8.410 8.410 293 1HH2 ARG 39 1HH1 ARG 39 -37.074 7.489 7.489 294 2HH2 ARG 39 2HH1 ARG 39 -38.419 7.511 7.511 295 H ARG 40 HN ARG 40 -31.122 7.147 7.147 296 HA ARG 40 HA ARG 40 -28.509 6.226 6.226 297 1HB ARG 40 2HB ARG 40 -29.625 4.142 4.142 298 2HB ARG 40 1HB ARG 40 -29.788 5.704 5.704 299 1HG ARG 40 2HG ARG 40 -31.929 5.284 5.284 300 2HG ARG 40 1HG ARG 40 -31.827 3.954 3.954 301 1HD ARG 40 2HD ARG 40 -31.911 6.876 6.876 302 2HD ARG 40 1HD ARG 40 -33.305 5.797 5.797 303 HE ARG 40 HE ARG 40 -31.510 4.533 4.533 304 1HH1 ARG 40 1HH2 ARG 40 -32.846 7.749 7.749 305 2HH1 ARG 40 2HH2 ARG 40 -32.735 7.963 7.963 306 1HH2 ARG 40 1HH1 ARG 40 -31.362 4.802 4.802 307 2HH2 ARG 40 2HH1 ARG 40 -31.892 6.287 6.287 308 H ILE 41 HN ILE 41 -27.843 3.879 3.879 309 HA ILE 41 HA ILE 41 -29.074 2.602 2.602 310 HB ILE 41 HB ILE 41 -27.069 2.618 2.618 311 1HG1 ILE 41 2HG1 ILE 41 -25.962 4.495 4.495 312 2HG1 ILE 41 1HG1 ILE 41 -25.380 2.870 2.870 313 1HG2 ILE 41 3HG2 ILE 41 -28.865 4.415 4.415 314 2HG2 ILE 41 2HG2 ILE 41 -27.704 5.471 5.471 315 3HG2 ILE 41 1HG2 ILE 41 -27.319 4.771 4.771 316 1HD1 ILE 41 2HD1 ILE 41 -25.422 4.864 4.864 317 2HD1 ILE 41 1HD1 ILE 41 -24.183 5.003 5.003 318 3HD1 ILE 41 3HD1 ILE 41 -24.313 3.524 3.524 319 H GLY 42 HN GLY 42 -28.392 0.476 0.476 320 1HA GLY 42 2HA GLY 42 -26.827 -0.651 -0.651 321 2HA GLY 42 1HA GLY 42 -28.046 -1.525 -1.525 322 H TRP 43 HN TRP 43 -24.772 -1.026 -1.026 323 HA TRP 43 HA TRP 43 -24.124 -1.783 -1.783 324 1HB TRP 43 2HB TRP 43 -21.777 -1.245 -1.245 325 2HB TRP 43 1HB TRP 43 -22.886 0.119 0.119 326 HD1 TRP 43 1HD TRP 43 -23.474 1.030 1.030 327 HE1 TRP 43 1HE TRP 43 -22.301 0.732 0.732 328 HE3 TRP 43 3HE TRP 43 -20.439 -2.918 -2.918 329 HZ2 TRP 43 2HZ TRP 43 -20.347 -0.950 -0.950 330 HZ3 TRP 43 3HZ TRP 43 -18.948 -3.811 -3.811 331 HH2 TRP 43 2HH TRP 43 -18.904 -2.846 -2.846 332 H ALA 44 HN ALA 44 -22.437 -3.366 -3.366 333 HA ALA 44 HA ALA 44 -22.059 -5.365 -5.365 334 1HB ALA 44 3HB ALA 44 -24.103 -6.084 -6.084 335 2HB ALA 44 2HB ALA 44 -23.261 -6.050 -6.050 336 3HB ALA 44 1HB ALA 44 -22.777 -7.206 -7.206 337 H ILE 45 HN ILE 45 -20.263 -6.755 -6.755 338 HA ILE 45 HA ILE 45 -18.483 -5.751 -5.751 339 HB ILE 45 HB ILE 45 -17.577 -7.071 -7.071 340 1HG1 ILE 45 2HG1 ILE 45 -18.817 -4.987 -4.987 341 2HG1 ILE 45 1HG1 ILE 45 -17.102 -4.849 -4.849 342 1HG2 ILE 45 3HG2 ILE 45 -16.141 -5.405 -5.405 343 2HG2 ILE 45 2HG2 ILE 45 -15.427 -6.027 -6.027 344 3HG2 ILE 45 1HG2 ILE 45 -15.979 -7.145 -7.145 345 1HD1 ILE 45 2HD1 ILE 45 -17.261 -3.947 -3.947 346 2HD1 ILE 45 1HD1 ILE 45 -18.734 -3.327 -3.327 347 3HD1 ILE 45 3HD1 ILE 45 -17.161 -2.950 -2.950 348 H LYS 46 HN LYS 46 -17.317 -7.168 -7.168 349 HA LYS 46 HA LYS 46 -17.758 -10.041 -10.041 350 1HB LYS 46 2HB LYS 46 -18.442 -8.397 -8.397 351 2HB LYS 46 1HB LYS 46 -17.825 -10.024 -10.024 352 1HG LYS 46 2HG LYS 46 -20.115 -9.510 -9.510 353 2HG LYS 46 1HG LYS 46 -20.360 -9.684 -9.684 354 1HD LYS 46 2HD LYS 46 -18.743 -11.822 -11.822 355 2HD LYS 46 1HD LYS 46 -19.787 -11.706 -11.706 356 1HE LYS 46 2HE LYS 46 -20.771 -11.782 -11.782 357 2HE LYS 46 1HE LYS 46 -20.679 -13.187 -13.187 358 1HZ LYS 46 3HZ LYS 46 -22.208 -10.755 -10.755 359 2HZ LYS 46 2HZ LYS 46 -22.898 -12.035 -12.035 360 3HZ LYS 46 1HZ LYS 46 -22.304 -12.292 -12.292 361 H THR 47 HN THR 47 -16.054 -11.354 -11.354 362 HA THR 47 HA THR 47 -13.723 -10.059 -10.059 363 HB THR 47 HB THR 47 -12.235 -11.157 -11.157 364 HG1 THR 47 1HG THR 47 -13.249 -12.730 -12.730 365 1HG2 THR 47 3HG2 THR 47 -13.956 -8.926 -8.926 366 2HG2 THR 47 2HG2 THR 47 -13.559 -9.786 -9.786 367 3HG2 THR 47 1HG2 THR 47 -12.270 -9.182 -9.182 368 H THR 48 HN THR 48 -12.284 -11.468 -11.468 369 HA THR 48 HA THR 48 -13.480 -13.628 -13.628 370 HB THR 48 HB THR 48 -10.877 -14.130 -14.130 371 HG1 THR 48 1HG THR 48 -10.202 -12.587 -12.587 372 1HG2 THR 48 1HG2 THR 48 -12.856 -12.772 -12.772 373 2HG2 THR 48 3HG2 THR 48 -11.491 -11.656 -11.656 374 3HG2 THR 48 2HG2 THR 48 -11.286 -13.280 -13.280 375 H ASN 49 HN ASN 49 -11.422 -13.481 -13.481 376 HA ASN 49 HA ASN 49 -12.039 -16.299 -16.299 377 1HB ASN 49 2HB ASN 49 -9.301 -15.032 -15.032 378 2HB ASN 49 1HB ASN 49 -9.662 -16.528 -16.528 379 1HD2 ASN 49 2HD2 ASN 49 -10.255 -18.354 -18.354 380 2HD2 ASN 49 1HD2 ASN 49 -10.987 -18.087 -18.087 381 H MET 50 HN MET 50 -13.122 -16.337 -16.337 382 HA MET 50 HA MET 50 -12.708 -14.243 -14.243 383 1HB MET 50 2HB MET 50 -14.702 -16.514 -16.514 384 2HB MET 50 1HB MET 50 -14.688 -15.165 -15.165 385 1HG MET 50 2HG MET 50 -14.871 -13.700 -13.700 386 2HG MET 50 1HG MET 50 -15.392 -15.191 -15.191 387 1HE MET 50 2HE MET 50 -15.635 -13.083 -13.083 388 2HE MET 50 1HE MET 50 -17.096 -12.227 -12.227 389 3HE MET 50 3HE MET 50 -17.181 -13.474 -13.474 390 H ARG 51 HN ARG 51 -10.971 -16.832 -16.832 391 HA ARG 51 HA ARG 51 -10.893 -17.877 -17.877 392 1HB ARG 51 2HB ARG 51 -9.227 -19.512 -19.512 393 2HB ARG 51 1HB ARG 51 -10.911 -19.651 -19.651 394 1HG ARG 51 2HG ARG 51 -10.470 -19.113 -19.113 395 2HG ARG 51 1HG ARG 51 -9.302 -17.869 -17.869 396 1HD ARG 51 2HD ARG 51 -7.880 -19.990 -19.990 397 2HD ARG 51 1HD ARG 51 -8.902 -20.772 -20.772 398 HE ARG 51 HE ARG 51 -6.798 -18.864 -18.864 399 1HH1 ARG 51 1HH2 ARG 51 -9.699 -20.325 -20.325 400 2HH1 ARG 51 2HH2 ARG 51 -9.312 -19.984 -19.984 401 1HH2 ARG 51 1HH1 ARG 51 -6.276 -18.410 -18.410 402 2HH2 ARG 51 2HH1 ARG 51 -7.365 -18.896 -18.896 403 H ARG 52 HN ARG 52 -8.971 -16.144 -16.144 404 HA ARG 52 HA ARG 52 -6.716 -15.970 -15.970 405 1HB ARG 52 2HB ARG 52 -6.528 -16.414 -16.414 406 2HB ARG 52 1HB ARG 52 -6.840 -14.693 -14.693 407 1HG ARG 52 2HG ARG 52 -4.740 -14.183 -14.183 408 2HG ARG 52 1HG ARG 52 -4.773 -15.180 -15.180 409 1HD ARG 52 2HD ARG 52 -4.194 -16.084 -16.084 410 2HD ARG 52 1HD ARG 52 -3.058 -16.005 -16.005 411 HE ARG 52 HE ARG 52 -5.123 -17.673 -17.673 412 1HH1 ARG 52 1HH2 ARG 52 -2.669 -17.600 -17.600 413 2HH1 ARG 52 2HH2 ARG 52 -2.541 -19.324 -19.324 414 1HH2 ARG 52 1HH1 ARG 52 -4.965 -19.944 -19.944 415 2HH2 ARG 52 2HH1 ARG 52 -3.847 -20.657 -20.657 416 H LEU 53 HN LEU 53 -9.363 -14.101 -14.101 417 HA LEU 53 HA LEU 53 -8.366 -11.756 -11.756 418 1HB LEU 53 2HB LEU 53 -10.379 -11.514 -11.514 419 2HB LEU 53 1HB LEU 53 -9.278 -10.304 -10.304 420 HG LEU 53 HG LEU 53 -8.167 -12.680 -12.680 421 1HD1 LEU 53 3HD1 LEU 53 -9.472 -10.287 -10.287 422 2HD1 LEU 53 2HD1 LEU 53 -8.289 -11.297 -11.297 423 3HD1 LEU 53 1HD1 LEU 53 -9.815 -11.992 -11.992 424 1HD2 LEU 53 2HD2 LEU 53 -6.705 -11.067 -11.067 425 2HD2 LEU 53 1HD2 LEU 53 -6.395 -11.148 -11.148 426 3HD2 LEU 53 3HD2 LEU 53 -7.305 -9.794 -9.794 427 H SER 54 HN SER 54 -9.744 -10.743 -10.743 428 HA SER 54 HA SER 54 -12.471 -11.806 -11.806 429 1HB SER 54 2HB SER 54 -12.269 -11.962 -11.962 430 2HB SER 54 1HB SER 54 -10.999 -12.927 -12.927 431 HG SER 54 HG SER 54 -10.664 -11.090 -11.090 432 H VAL 55 HN VAL 55 -13.760 -10.129 -10.129 433 HA VAL 55 HA VAL 55 -12.961 -7.469 -7.469 434 HB VAL 55 HB VAL 55 -15.049 -6.821 -6.821 435 1HG1 VAL 55 3HG1 VAL 55 -12.275 -7.413 -7.413 436 2HG1 VAL 55 2HG1 VAL 55 -13.402 -7.229 -7.229 437 3HG1 VAL 55 1HG1 VAL 55 -13.209 -5.926 -5.926 438 1HG2 VAL 55 3HG2 VAL 55 -15.686 -9.256 -9.256 439 2HG2 VAL 55 2HG2 VAL 55 -15.660 -8.276 -8.276 440 3HG2 VAL 55 1HG2 VAL 55 -14.328 -9.377 -9.377 441 H ASP 56 HN ASP 56 -13.846 -6.677 -6.677 442 HA ASP 56 HA ASP 56 -16.601 -7.381 -7.381 443 1HB ASP 56 2HB ASP 56 -14.962 -8.907 -8.907 444 2HB ASP 56 1HB ASP 56 -14.425 -7.476 -7.476 445 HA PRO 57 HA PRO 57 -18.265 -6.696 -6.696 446 1HB PRO 57 2HB PRO 57 -20.186 -4.893 -4.893 447 2HB PRO 57 1HB PRO 57 -19.545 -5.077 -5.077 448 1HG PRO 57 2HG PRO 57 -18.853 -3.047 -3.047 449 2HG PRO 57 1HG PRO 57 -19.130 -2.815 -2.815 450 1HD PRO 57 2HD PRO 57 -16.647 -2.954 -2.954 451 2HD PRO 57 1HD PRO 57 -17.009 -3.513 -3.513 452 HA PRO 58 HA PRO 58 -18.245 -7.434 -7.434 453 1HB PRO 58 2HB PRO 58 -20.329 -9.186 -9.186 454 2HB PRO 58 1HB PRO 58 -18.721 -9.632 -9.632 455 1HG PRO 58 2HG PRO 58 -21.169 -8.914 -8.914 456 2HG PRO 58 1HG PRO 58 -19.997 -10.214 -10.214 457 1HD PRO 58 2HD PRO 58 -19.945 -7.897 -7.897 458 2HD PRO 58 1HD PRO 58 -18.465 -8.786 -8.786 459 H CYS 59 HN CYS 59 -21.328 -6.785 -6.785 460 HA CYS 59 HA CYS 59 -22.081 -5.047 -5.047 461 1HB CYS 59 2HB CYS 59 -24.036 -6.958 -6.958 462 2HB CYS 59 1HB CYS 59 -24.305 -5.931 -5.931 463 HG CYS 59 HG CYS 59 -22.117 -7.891 -7.891 464 H GLY 60 HN GLY 60 -23.996 -3.639 -3.639 465 1HA GLY 60 2HA GLY 60 -24.858 -3.255 -3.255 466 2HA GLY 60 1HA GLY 60 -23.405 -2.290 -2.290 467 H VAL 61 HN VAL 61 -25.049 -0.592 -0.592 468 HA VAL 61 HA VAL 61 -25.922 0.638 0.638 469 HB VAL 61 HB VAL 61 -27.899 -0.646 -0.646 470 1HG1 VAL 61 1HG1 VAL 61 -27.108 0.043 0.043 471 2HG1 VAL 61 3HG1 VAL 61 -28.582 0.974 0.974 472 3HG1 VAL 61 2HG1 VAL 61 -28.600 -0.779 -0.779 473 1HG2 VAL 61 2HG2 VAL 61 -27.785 2.215 2.215 474 2HG2 VAL 61 1HG2 VAL 61 -28.935 1.039 1.039 475 3HG2 VAL 61 3HG2 VAL 61 -29.196 1.751 1.751 476 H LEU 62 HN LEU 62 -25.824 2.847 2.847 477 HA LEU 62 HA LEU 62 -25.426 4.108 4.108 478 1HB LEU 62 2HB LEU 62 -23.602 5.467 5.467 479 2HB LEU 62 1HB LEU 62 -23.218 3.758 3.758 480 HG LEU 62 HG LEU 62 -24.342 5.031 5.031 481 1HD1 LEU 62 3HD1 LEU 62 -21.593 5.457 5.457 482 2HD1 LEU 62 2HD1 LEU 62 -21.888 5.450 5.450 483 3HD1 LEU 62 1HD1 LEU 62 -22.702 6.629 6.629 484 1HD2 LEU 62 2HD2 LEU 62 -22.914 2.599 2.599 485 2HD2 LEU 62 1HD2 LEU 62 -23.986 2.904 2.904 486 3HD2 LEU 62 3HD2 LEU 62 -22.288 3.370 3.370 487 H ASP 63 HN ASP 63 -25.967 6.319 6.319 488 HA ASP 63 HA ASP 63 -28.068 7.081 7.081 489 1HB ASP 63 2HB ASP 63 -27.281 7.754 7.754 490 2HB ASP 63 1HB ASP 63 -27.680 9.190 9.190 491 HA PRO 64 HA PRO 64 -26.117 10.217 10.217 492 1HB PRO 64 2HB PRO 64 -27.572 12.442 12.442 493 2HB PRO 64 1HB PRO 64 -27.588 11.916 11.916 494 1HG PRO 64 2HG PRO 64 -29.683 11.483 11.483 495 2HG PRO 64 1HG PRO 64 -29.195 10.296 10.296 496 1HD PRO 64 2HD PRO 64 -28.712 10.282 10.282 497 2HD PRO 64 1HD PRO 64 -29.155 8.939 8.939 498 H LYS 65 HN LYS 65 -24.121 10.982 10.982 499 HA LYS 65 HA LYS 65 -22.355 12.274 12.274 500 1HB LYS 65 2HB LYS 65 -24.135 13.877 13.877 501 2HB LYS 65 1HB LYS 65 -23.904 13.111 13.111 502 1HG LYS 65 2HG LYS 65 -22.338 14.648 14.648 503 2HG LYS 65 1HG LYS 65 -21.337 13.704 13.704 504 1HD LYS 65 2HD LYS 65 -22.807 15.190 15.190 505 2HD LYS 65 1HD LYS 65 -22.643 16.306 16.306 506 1HE LYS 65 2HE LYS 65 -20.806 16.692 16.692 507 2HE LYS 65 1HE LYS 65 -20.181 15.863 15.863 508 1HZ LYS 65 2HZ LYS 65 -21.000 14.162 14.162 509 2HZ LYS 65 1HZ LYS 65 -19.630 15.116 15.116 510 3HZ LYS 65 3HZ LYS 65 -19.661 14.035 14.035 511 H GLU 66 HN GLU 66 -23.757 9.748 9.748 512 HA GLU 66 HA GLU 66 -21.806 9.606 9.606 513 1HB GLU 66 2HB GLU 66 -24.207 8.106 8.106 514 2HB GLU 66 1HB GLU 66 -22.945 7.131 7.131 515 1HG GLU 66 2HG GLU 66 -23.181 9.411 9.411 516 2HG GLU 66 1HG GLU 66 -24.829 8.911 8.911 517 H LYS 67 HN LYS 67 -20.317 7.836 7.836 518 HA LYS 67 HA LYS 67 -19.489 6.556 6.556 519 1HB LYS 67 2HB LYS 67 -17.100 6.955 6.955 520 2HB LYS 67 1HB LYS 67 -17.983 8.384 8.384 521 1HG LYS 67 2HG LYS 67 -18.007 7.760 7.760 522 2HG LYS 67 1HG LYS 67 -16.491 8.335 8.335 523 1HD LYS 67 2HD LYS 67 -17.637 10.303 10.303 524 2HD LYS 67 1HD LYS 67 -19.162 9.724 9.724 525 1HE LYS 67 2HE LYS 67 -18.632 10.970 10.970 526 2HE LYS 67 1HE LYS 67 -17.514 9.666 9.666 527 1HZ LYS 67 2HZ LYS 67 -16.005 11.077 11.077 528 2HZ LYS 67 1HZ LYS 67 -16.968 12.329 12.329 529 3HZ LYS 67 3HZ LYS 67 -16.058 11.372 11.372 530 H VAL 68 HN VAL 68 -18.412 4.567 4.567 531 HA VAL 68 HA VAL 68 -18.582 3.367 3.367 532 HB VAL 68 HB VAL 68 -19.005 1.186 1.186 533 1HG1 VAL 68 3HG1 VAL 68 -20.766 2.698 2.698 534 2HG1 VAL 68 2HG1 VAL 68 -21.151 3.199 3.199 535 3HG1 VAL 68 1HG1 VAL 68 -21.332 1.510 1.510 536 1HG2 VAL 68 3HG2 VAL 68 -19.384 3.009 3.009 537 2HG2 VAL 68 2HG2 VAL 68 -18.197 1.716 1.716 538 3HG2 VAL 68 1HG2 VAL 68 -19.914 1.328 1.328 539 H LEU 69 HN LEU 69 -17.029 1.761 1.761 540 HA LEU 69 HA LEU 69 -14.535 2.041 2.041 541 1HB LEU 69 2HB LEU 69 -15.169 1.618 1.618 542 2HB LEU 69 1HB LEU 69 -13.697 0.894 0.894 543 HG LEU 69 HG LEU 69 -14.355 3.829 3.829 544 1HD1 LEU 69 2HD1 LEU 69 -14.104 3.159 3.159 545 2HD1 LEU 69 1HD1 LEU 69 -12.545 2.429 2.429 546 3HD1 LEU 69 3HD1 LEU 69 -12.765 4.172 4.172 547 1HD2 LEU 69 1HD2 LEU 69 -12.025 2.124 2.124 548 2HD2 LEU 69 3HD2 LEU 69 -12.814 3.417 3.417 549 3HD2 LEU 69 2HD2 LEU 69 -11.768 3.806 3.806 550 H MET 70 HN MET 70 -13.471 0.296 0.296 551 HA MET 70 HA MET 70 -14.631 -2.361 -2.361 552 1HB MET 70 2HB MET 70 -13.674 -1.360 -1.360 553 2HB MET 70 1HB MET 70 -14.370 -2.938 -2.938 554 1HG MET 70 2HG MET 70 -16.445 -1.666 -1.666 555 2HG MET 70 1HG MET 70 -15.724 -0.265 -0.265 556 1HE MET 70 3HE MET 70 -14.859 -0.317 -0.317 557 2HE MET 70 2HE MET 70 -14.286 -1.971 -1.971 558 3HE MET 70 1HE MET 70 -15.524 -1.322 -1.322 559 H ALA 71 HN ALA 71 -13.179 -4.140 -4.140 560 HA ALA 71 HA ALA 71 -10.333 -3.442 -3.442 561 1HB ALA 71 1HB ALA 71 -10.935 -3.512 -3.512 562 2HB ALA 71 3HB ALA 71 -11.536 -5.158 -5.158 563 3HB ALA 71 2HB ALA 71 -9.821 -4.811 -4.811 564 H VAL 72 HN VAL 72 -9.437 -4.629 -4.629 565 HA VAL 72 HA VAL 72 -10.551 -7.289 -7.289 566 HB VAL 72 HB VAL 72 -10.582 -5.764 -5.764 567 1HG1 VAL 72 1HG1 VAL 72 -8.098 -4.926 -4.926 568 2HG1 VAL 72 3HG1 VAL 72 -7.777 -5.636 -5.636 569 3HG1 VAL 72 2HG1 VAL 72 -8.945 -4.324 -4.324 570 1HG2 VAL 72 2HG2 VAL 72 -9.787 -8.326 -8.326 571 2HG2 VAL 72 1HG2 VAL 72 -9.977 -7.350 -7.350 572 3HG2 VAL 72 3HG2 VAL 72 -8.378 -7.569 -7.569 573 H SER 73 HN SER 73 -9.413 -8.370 -8.370 574 HA SER 73 HA SER 73 -6.577 -8.205 -8.205 575 1HB SER 73 2HB SER 73 -8.686 -10.020 -10.020 576 2HB SER 73 1HB SER 73 -6.975 -10.377 -10.377 577 HG SER 73 HG SER 73 -8.391 -8.809 -8.809 578 H CYS 74 HN CYS 74 -5.019 -9.316 -9.316 579 HA CYS 74 HA CYS 74 -5.803 -11.589 -11.589 580 1HB CYS 74 2HB CYS 74 -3.911 -10.864 -10.864 581 2HB CYS 74 1HB CYS 74 -5.309 -9.796 -9.796 582 HG CYS 74 HG CYS 74 -2.636 -8.821 -8.821 583 H ASP 75 HN ASP 75 -5.168 -13.230 -13.230 584 HA ASP 75 HA ASP 75 -2.997 -13.331 -13.331 585 1HB ASP 75 2HB ASP 75 -3.133 -15.820 -15.820 586 2HB ASP 75 1HB ASP 75 -4.676 -15.047 -15.047 587 H THR 76 HN THR 76 -0.898 -14.162 -14.162 588 HA THR 76 HA THR 76 0.530 -13.472 -13.472 589 HB THR 76 HB THR 76 2.449 -14.102 -14.102 590 HG1 THR 76 1HG THR 76 2.439 -16.081 -16.081 591 1HG2 THR 76 2HG2 THR 76 0.587 -12.663 -12.663 592 2HG2 THR 76 1HG2 THR 76 1.065 -13.919 -13.919 593 3HG2 THR 76 3HG2 THR 76 2.285 -12.862 -12.862 594 H PHE 77 HN PHE 77 1.311 -14.655 -14.655 595 HA PHE 77 HA PHE 77 1.155 -17.543 -17.543 596 1HB PHE 77 2HB PHE 77 -0.299 -17.743 -17.743 597 2HB PHE 77 1HB PHE 77 -1.135 -16.832 -16.832 598 HD1 PHE 77 2HD PHE 77 -1.087 -14.275 -14.275 599 HD2 PHE 77 1HD PHE 77 -0.112 -16.889 -16.889 600 HE1 PHE 77 2HE PHE 77 -1.509 -12.456 -12.456 601 HE2 PHE 77 1HE PHE 77 -0.531 -15.076 -15.076 602 HZ PHE 77 HZ PHE 77 -1.231 -12.855 -12.855 603 H ASN 78 HN ASN 78 1.573 -18.167 -18.167 604 HA ASN 78 HA ASN 78 4.067 -16.744 -16.744 605 1HB ASN 78 2HB ASN 78 3.162 -19.574 -19.574 606 2HB ASN 78 1HB ASN 78 4.448 -18.900 -18.900 607 1HD2 ASN 78 2HD2 ASN 78 5.271 -20.306 -20.306 608 2HD2 ASN 78 1HD2 ASN 78 3.800 -20.584 -20.584 609 H ALA 79 HN ALA 79 3.787 -15.251 -15.251 610 HA ALA 79 HA ALA 79 1.832 -15.689 -15.689 611 1HB ALA 79 1HB ALA 79 3.348 -13.266 -13.266 612 2HB ALA 79 3HB ALA 79 2.400 -13.285 -13.285 613 3HB ALA 79 2HB ALA 79 1.611 -13.562 -13.562 614 H ALA 80 HN ALA 80 4.625 -16.947 -16.947 615 HA ALA 80 HA ALA 80 5.970 -15.894 -15.894 616 1HB ALA 80 1HB ALA 80 6.886 -17.060 -17.060 617 2HB ALA 80 3HB ALA 80 7.021 -18.372 -18.372 618 3HB ALA 80 2HB ALA 80 7.826 -16.831 -16.831 619 H THR 81 HN THR 81 3.846 -18.481 -18.481 620 HA THR 81 HA THR 81 3.919 -19.424 -19.424 621 HB THR 81 HB THR 81 3.868 -21.758 -21.758 622 HG1 THR 81 1HG THR 81 4.080 -20.631 -20.631 623 1HG2 THR 81 2HG2 THR 81 6.063 -20.563 -20.563 624 2HG2 THR 81 1HG2 THR 81 6.179 -20.468 -20.468 625 3HG2 THR 81 3HG2 THR 81 6.112 -22.042 -22.042 626 H GLU 82 HN GLU 82 2.010 -17.739 -17.739 627 HA GLU 82 HA GLU 82 -0.365 -19.443 -19.443 628 1HB GLU 82 2HB GLU 82 -0.101 -16.962 -16.962 629 2HB GLU 82 1HB GLU 82 -1.458 -18.079 -18.079 630 1HG GLU 82 2HG GLU 82 1.305 -18.891 -18.891 631 2HG GLU 82 1HG GLU 82 0.087 -18.280 -18.280 632 H ASP 83 HN ASP 83 -2.387 -17.928 -17.928 633 HA ASP 83 HA ASP 83 -1.745 -16.243 -16.243 634 1HB ASP 83 2HB ASP 83 -4.211 -17.777 -17.777 635 2HB ASP 83 1HB ASP 83 -4.271 -16.515 -16.515 636 H LEU 84 HN LEU 84 -1.640 -14.146 -14.146 637 HA LEU 84 HA LEU 84 -3.737 -12.966 -12.966 638 1HB LEU 84 2HB LEU 84 -0.841 -12.133 -12.133 639 2HB LEU 84 1HB LEU 84 -2.154 -11.530 -11.530 640 HG LEU 84 HG LEU 84 -1.220 -14.395 -14.395 641 1HD1 LEU 84 3HD1 LEU 84 0.497 -12.585 -12.585 642 2HD1 LEU 84 2HD1 LEU 84 -0.536 -12.343 -12.343 643 3HD1 LEU 84 1HD1 LEU 84 0.198 -13.920 -13.920 644 1HD2 LEU 84 1HD2 LEU 84 -3.555 -13.423 -13.423 645 2HD2 LEU 84 3HD2 LEU 84 -2.693 -14.717 -14.717 646 3HD2 LEU 84 2HD2 LEU 84 -2.565 -13.055 -13.055 647 H ASN 85 HN ASN 85 -4.294 -12.811 -12.811 648 HA ASN 85 HA ASN 85 -3.621 -10.070 -10.070 649 1HB ASN 85 2HB ASN 85 -3.289 -12.498 -12.498 650 2HB ASN 85 1HB ASN 85 -3.447 -10.870 -10.870 651 1HD2 ASN 85 2HD2 ASN 85 0.141 -11.806 -11.806 652 2HD2 ASN 85 1HD2 ASN 85 -1.219 -12.554 -12.554 653 H ASN 86 HN ASN 86 -6.002 -11.779 -11.779 654 HA ASN 86 HA ASN 86 -7.921 -10.603 -10.603 655 1HB ASN 86 2HB ASN 86 -7.479 -13.448 -13.448 656 2HB ASN 86 1HB ASN 86 -9.149 -12.968 -12.968 657 1HD2 ASN 86 2HD2 ASN 86 -7.937 -13.580 -13.580 658 2HD2 ASN 86 1HD2 ASN 86 -7.178 -14.170 -14.170 659 H ASP 87 HN ASP 87 -6.888 -10.494 -10.494 660 HA ASP 87 HA ASP 87 -9.302 -10.889 -10.889 661 1HB ASP 87 2HB ASP 87 -6.664 -9.588 -9.588 662 2HB ASP 87 1HB ASP 87 -7.996 -9.745 -9.745 663 H ARG 88 HN ARG 88 -10.806 -9.422 -9.422 664 HA ARG 88 HA ARG 88 -10.404 -6.597 -6.597 665 1HB ARG 88 2HB ARG 88 -12.433 -6.424 -6.424 666 2HB ARG 88 1HB ARG 88 -10.819 -6.700 -6.700 667 1HG ARG 88 2HG ARG 88 -11.258 -8.991 -8.991 668 2HG ARG 88 1HG ARG 88 -12.749 -8.932 -8.932 669 1HD ARG 88 2HD ARG 88 -13.856 -7.655 -7.655 670 2HD ARG 88 1HD ARG 88 -12.348 -7.292 -7.292 671 HE ARG 88 HE ARG 88 -12.516 -9.995 -9.995 672 1HH1 ARG 88 1HH2 ARG 88 -14.680 -7.397 -7.397 673 2HH1 ARG 88 2HH2 ARG 88 -15.443 -8.272 -8.272 674 1HH2 ARG 88 1HH1 ARG 88 -13.515 -11.157 -11.157 675 2HH2 ARG 88 2HH1 ARG 88 -14.782 -10.409 -10.409 676 H ILE 89 HN ILE 89 -11.732 -5.542 -5.542 677 HA ILE 89 HA ILE 89 -13.790 -7.111 -7.111 678 HB ILE 89 HB ILE 89 -12.629 -4.419 -4.419 679 1HG1 ILE 89 2HG1 ILE 89 -12.080 -7.176 -7.176 680 2HG1 ILE 89 1HG1 ILE 89 -10.967 -6.217 -6.217 681 1HG2 ILE 89 2HG2 ILE 89 -14.816 -6.056 -6.056 682 2HG2 ILE 89 1HG2 ILE 89 -13.683 -5.402 -5.402 683 3HG2 ILE 89 3HG2 ILE 89 -14.541 -4.316 -4.316 684 1HD1 ILE 89 1HD1 ILE 89 -11.988 -4.930 -4.930 685 2HD1 ILE 89 3HD1 ILE 89 -10.909 -6.306 -6.306 686 3HD1 ILE 89 2HD1 ILE 89 -10.374 -4.913 -4.913 687 H THR 90 HN THR 90 -15.781 -6.958 -6.958 688 HA THR 90 HA THR 90 -16.599 -4.520 -4.520 689 HB THR 90 HB THR 90 -17.978 -7.198 -7.198 690 HG1 THR 90 1HG THR 90 -16.062 -7.200 -7.200 691 1HG2 THR 90 1HG2 THR 90 -19.437 -5.138 -5.138 692 2HG2 THR 90 3HG2 THR 90 -18.647 -5.119 -5.119 693 3HG2 THR 90 2HG2 THR 90 -19.576 -6.531 -6.531 694 H ILE 91 HN ILE 91 -17.750 -3.003 -3.003 695 HA ILE 91 HA ILE 91 -19.240 -3.688 -3.688 696 HB ILE 91 HB ILE 91 -18.223 -0.967 -0.967 697 1HG1 ILE 91 2HG1 ILE 91 -16.728 -1.479 -1.479 698 2HG1 ILE 91 1HG1 ILE 91 -17.021 -3.151 -3.151 699 1HG2 ILE 91 3HG2 ILE 91 -19.884 -1.974 -1.974 700 2HG2 ILE 91 2HG2 ILE 91 -18.621 -0.825 -0.825 701 3HG2 ILE 91 1HG2 ILE 91 -19.838 -0.382 -0.382 702 1HD1 ILE 91 3HD1 ILE 91 -16.288 -1.809 -1.809 703 2HD1 ILE 91 2HD1 ILE 91 -15.175 -1.267 -1.267 704 3HD1 ILE 91 1HD1 ILE 91 -15.349 -2.989 -2.989 705 H GLU 92 HN GLU 92 -21.338 -3.937 -3.937 706 HA GLU 92 HA GLU 92 -22.583 -2.091 -2.091 707 1HB GLU 92 2HB GLU 92 -24.398 -3.872 -3.872 708 2HB GLU 92 1HB GLU 92 -22.849 -4.286 -4.286 709 1HG GLU 92 2HG GLU 92 -22.278 -5.713 -5.713 710 2HG GLU 92 1HG GLU 92 -23.548 -5.067 -5.067 711 H TRP 93 HN TRP 93 -24.164 -0.764 -0.764 712 HA TRP 93 HA TRP 93 -25.471 -1.304 -1.304 713 1HB TRP 93 2HB TRP 93 -25.149 0.936 0.936 714 2HB TRP 93 1HB TRP 93 -23.572 0.312 0.312 715 HD1 TRP 93 1HD TRP 93 -25.744 3.251 3.251 716 HE1 TRP 93 1HE TRP 93 -24.850 4.761 4.761 717 HE3 TRP 93 3HE TRP 93 -22.365 0.032 0.032 718 HZ2 TRP 93 2HZ TRP 93 -22.966 4.608 4.608 719 HZ3 TRP 93 3HZ TRP 93 -21.059 0.792 0.792 720 HH2 TRP 93 2HH TRP 93 -21.354 3.033 3.033 721 H THR 94 HN THR 94 -27.584 -0.663 -0.663 722 HA THR 94 HA THR 94 -28.732 0.746 0.746 723 HB THR 94 HB THR 94 -29.305 -1.493 -1.493 724 HG1 THR 94 1HG THR 94 -31.290 -0.916 -0.916 725 1HG2 THR 94 3HG2 THR 94 -28.701 -2.310 -2.310 726 2HG2 THR 94 2HG2 THR 94 -30.379 -1.957 -1.957 727 3HG2 THR 94 1HG2 THR 94 -30.009 -3.131 -3.131 728 H ASN 95 HN ASN 95 -30.469 2.087 2.087 729 HA ASN 95 HA ASN 95 -30.584 3.342 3.342 730 1HB ASN 95 2HB ASN 95 -32.240 3.355 3.355 731 2HB ASN 95 1HB ASN 95 -33.032 3.935 3.935 732 1HD2 ASN 95 2HD2 ASN 95 -31.735 7.070 7.070 733 2HD2 ASN 95 1HD2 ASN 95 -33.114 6.063 6.063 734 H THR 96 HN THR 96 -31.923 3.214 3.214 735 HA THR 96 HA THR 96 -33.091 0.630 0.630 736 HB THR 96 HB THR 96 -33.734 1.912 1.912 737 HG1 THR 96 1HG THR 96 -33.147 3.968 3.968 738 1HG2 THR 96 3HG2 THR 96 -31.469 0.448 0.448 739 2HG2 THR 96 2HG2 THR 96 -30.893 1.823 1.823 740 3HG2 THR 96 1HG2 THR 96 -32.080 0.716 0.716 741 HA PRO 97 HA PRO 97 -37.249 1.600 1.600 742 1HB PRO 97 2HB PRO 97 -38.586 -0.131 -0.131 743 2HB PRO 97 1HB PRO 97 -37.716 -0.643 -0.643 744 1HG PRO 97 2HG PRO 97 -36.845 -0.737 -0.737 745 2HG PRO 97 1HG PRO 97 -36.661 -1.965 -1.965 746 1HD PRO 97 2HD PRO 97 -34.637 -0.335 -0.335 747 2HD PRO 97 1HD PRO 97 -34.840 -0.902 -0.902 748 H ASP 98 HN ASP 98 -39.203 2.533 2.533 749 HA ASP 98 HA ASP 98 -38.896 4.547 4.547 750 1HB ASP 98 2HB ASP 98 -41.397 4.629 4.629 751 2HB ASP 98 1HB ASP 98 -40.725 4.600 4.600 752 H GLY 99 HN GLY 99 -38.730 4.600 4.600 753 1HA GLY 99 2HA GLY 99 -38.847 3.984 3.984 754 2HA GLY 99 1HA GLY 99 -40.319 3.123 3.123 755 H ALA 100 HN ALA 100 -37.116 2.482 2.482 756 HA ALA 100 HA ALA 100 -37.305 -0.295 -0.295 757 1HB ALA 100 2HB ALA 100 -35.927 0.744 0.744 758 2HB ALA 100 1HB ALA 100 -34.800 1.292 1.292 759 3HB ALA 100 3HB ALA 100 -35.045 -0.433 -0.433 760 H ALA 101 HN ALA 101 -36.605 -1.571 -1.571 761 HA ALA 101 HA ALA 101 -36.276 -0.600 -0.600 762 1HB ALA 101 2HB ALA 101 -35.583 -3.218 -3.218 763 2HB ALA 101 1HB ALA 101 -35.213 -2.905 -2.905 764 3HB ALA 101 3HB ALA 101 -36.883 -2.838 -2.838 765 H LYS 102 HN LYS 102 -34.391 -0.896 -0.896 766 HA LYS 102 HA LYS 102 -32.052 0.307 0.307 767 1HB LYS 102 2HB LYS 102 -31.278 0.632 0.632 768 2HB LYS 102 1HB LYS 102 -32.828 1.389 1.389 769 1HG LYS 102 2HG LYS 102 -33.152 -1.309 -1.309 770 2HG LYS 102 1HG LYS 102 -32.228 -0.301 -0.301 771 1HD LYS 102 2HD LYS 102 -34.106 1.441 1.441 772 2HD LYS 102 1HD LYS 102 -35.029 0.051 0.051 773 1HE LYS 102 2HE LYS 102 -33.721 0.272 0.272 774 2HE LYS 102 1HE LYS 102 -35.431 0.551 0.551 775 1HZ LYS 102 1HZ LYS 102 -34.315 -1.991 -1.991 776 2HZ LYS 102 3HZ LYS 102 -34.494 -1.786 -1.786 777 3HZ LYS 102 2HZ LYS 102 -35.837 -1.647 -1.647 778 H GLN 103 HN GLN 103 -31.710 -1.783 -1.783 779 HA GLN 103 HA GLN 103 -29.478 -3.101 -3.101 780 1HB GLN 103 2HB GLN 103 -31.964 -4.138 -4.138 781 2HB GLN 103 1HB GLN 103 -31.174 -5.354 -5.354 782 1HG GLN 103 2HG GLN 103 -29.637 -3.889 -3.889 783 2HG GLN 103 1HG GLN 103 -30.671 -5.253 -5.253 784 1HE2 GLN 103 2HE2 GLN 103 -28.364 -7.632 -7.632 785 2HE2 GLN 103 1HE2 GLN 103 -29.817 -7.208 -7.208 786 H PHE 104 HN PHE 104 -28.480 -4.258 -4.258 787 HA PHE 104 HA PHE 104 -29.183 -3.950 -3.950 788 1HB PHE 104 2HB PHE 104 -26.936 -4.602 -4.602 789 2HB PHE 104 1HB PHE 104 -27.535 -6.172 -6.172 790 HD1 PHE 104 1HD PHE 104 -26.791 -4.055 -4.055 791 HD2 PHE 104 2HD PHE 104 -27.967 -7.919 -7.919 792 HE1 PHE 104 1HE PHE 104 -26.361 -4.960 -4.960 793 HE2 PHE 104 2HE PHE 104 -27.538 -8.832 -8.832 794 HZ PHE 104 HZ PHE 104 -26.735 -7.352 -7.352 795 H ARG 105 HN ARG 105 -30.339 -5.080 -5.080 796 HA ARG 105 HA ARG 105 -31.712 -7.519 -7.519 797 1HB ARG 105 2HB ARG 105 -32.891 -5.075 -5.075 798 2HB ARG 105 1HB ARG 105 -33.669 -6.644 -6.644 799 1HG ARG 105 2HG ARG 105 -32.954 -5.539 -5.539 800 2HG ARG 105 1HG ARG 105 -34.443 -5.067 -5.067 801 1HD ARG 105 2HD ARG 105 -35.414 -6.922 -6.922 802 2HD ARG 105 1HD ARG 105 -34.246 -7.879 -7.879 803 HE ARG 105 HE ARG 105 -32.984 -7.142 -7.142 804 1HH1 ARG 105 1HH2 ARG 105 -35.809 -8.960 -8.960 805 2HH1 ARG 105 2HH2 ARG 105 -35.740 -10.008 -10.008 806 1HH2 ARG 105 1HH1 ARG 105 -32.883 -8.514 -8.514 807 2HH2 ARG 105 2HH1 ARG 105 -34.077 -9.753 -9.753 808 H ARG 106 HN ARG 106 -32.193 -9.046 -9.046 809 HA ARG 106 HA ARG 106 -30.383 -9.011 -9.011 810 1HB ARG 106 2HB ARG 106 -30.762 -11.073 -11.073 811 2HB ARG 106 1HB ARG 106 -32.461 -11.049 -11.049 812 1HG ARG 106 2HG ARG 106 -30.980 -10.906 -10.906 813 2HG ARG 106 1HG ARG 106 -30.253 -12.172 -12.172 814 1HD ARG 106 2HD ARG 106 -32.997 -12.545 -12.545 815 2HD ARG 106 1HD ARG 106 -32.767 -12.159 -12.159 816 HE ARG 106 HE ARG 106 -30.866 -14.079 -14.079 817 1HH1 ARG 106 1HH2 ARG 106 -34.267 -13.737 -13.737 818 2HH1 ARG 106 2HH2 ARG 106 -34.478 -15.391 -15.391 819 1HH2 ARG 106 1HH1 ARG 106 -31.128 -16.260 -16.260 820 2HH2 ARG 106 2HH1 ARG 106 -32.692 -16.828 -16.828 821 H GLU 107 HN GLU 107 -33.816 -8.596 -8.596 822 HA GLU 107 HA GLU 107 -34.537 -8.770 -8.770 823 1HB GLU 107 2HB GLU 107 -35.896 -8.606 -8.606 824 2HB GLU 107 1HB GLU 107 -36.472 -7.287 -7.287 825 1HG GLU 107 2HG GLU 107 -36.666 -9.168 -9.168 826 2HG GLU 107 1HG GLU 107 -36.710 -10.224 -10.224 827 H TRP 108 HN TRP 108 -32.959 -6.385 -6.385 828 HA TRP 108 HA TRP 108 -34.085 -4.032 -4.032 829 1HB TRP 108 2HB TRP 108 -31.445 -4.747 -4.747 830 2HB TRP 108 1HB TRP 108 -31.634 -3.174 -3.174 831 HD1 TRP 108 1HD TRP 108 -34.896 -3.843 -3.843 832 HE1 TRP 108 1HE TRP 108 -35.205 -2.764 -2.764 833 HE3 TRP 108 3HE TRP 108 -30.003 -2.816 -2.816 834 HZ2 TRP 108 2HZ TRP 108 -33.589 -1.627 -1.627 835 HZ3 TRP 108 3HZ TRP 108 -29.472 -1.731 -1.731 836 HH2 TRP 108 2HH TRP 108 -31.229 -1.149 -1.149 837 H PHE 109 HN PHE 109 -32.160 -6.438 -6.438 838 HA PHE 109 HA PHE 109 -31.450 -4.620 -4.620 839 1HB PHE 109 2HB PHE 109 -30.371 -7.299 -7.299 840 2HB PHE 109 1HB PHE 109 -30.029 -6.630 -6.630 841 HD1 PHE 109 1HD PHE 109 -29.996 -5.469 -5.469 842 HD2 PHE 109 2HD PHE 109 -28.024 -5.556 -5.556 843 HE1 PHE 109 1HE PHE 109 -28.128 -4.180 -4.180 844 HE2 PHE 109 2HE PHE 109 -26.152 -4.268 -4.268 845 HZ PHE 109 HZ PHE 109 -26.203 -3.578 -3.578 846 H GLN 110 HN GLN 110 -34.139 -5.721 -5.721 847 HA GLN 110 HA GLN 110 -34.575 -6.771 -6.771 848 1HB GLN 110 2HB GLN 110 -35.291 -8.292 -8.292 849 2HB GLN 110 1HB GLN 110 -36.076 -8.592 -8.592 850 1HG GLN 110 2HG GLN 110 -33.787 -9.018 -9.018 851 2HG GLN 110 1HG GLN 110 -33.183 -8.979 -8.979 852 1HE2 GLN 110 2HE2 GLN 110 -34.637 -12.065 -12.065 853 2HE2 GLN 110 1HE2 GLN 110 -34.146 -10.516 -10.516 854 H GLY 111 HN GLY 111 -35.195 -4.295 -4.295 855 1HA GLY 111 2HA GLY 111 -38.147 -4.449 -4.449 856 2HA GLY 111 1HA GLY 111 -37.266 -3.371 -3.371 857 H ASP 112 HN ASP 112 -38.056 -1.446 -1.446 858 HA ASP 112 HA ASP 112 -38.028 -0.848 -0.848 859 1HB ASP 112 2HB ASP 112 -39.525 0.056 0.056 860 2HB ASP 112 1HB ASP 112 -38.560 1.438 1.438 861 H GLY 113 HN GLY 113 -36.678 0.580 0.580 862 1HA GLY 113 2HA GLY 113 -35.085 2.411 2.411 863 2HA GLY 113 1HA GLY 113 -34.512 1.753 1.753 864 H MET 114 HN MET 114 -32.529 2.230 2.230 865 HA MET 114 HA MET 114 -31.909 -0.261 -0.261 866 1HB MET 114 2HB MET 114 -31.358 2.572 2.572 867 2HB MET 114 1HB MET 114 -29.978 1.507 1.507 868 1HG MET 114 2HG MET 114 -31.025 1.629 1.629 869 2HG MET 114 1HG MET 114 -31.495 0.066 0.066 870 1HE MET 114 2HE MET 114 -32.188 3.066 3.066 871 2HE MET 114 1HE MET 114 -33.646 2.419 2.419 872 3HE MET 114 3HE MET 114 -33.771 3.691 3.691 873 H VAL 115 HN VAL 115 -29.878 -1.232 -1.232 874 HA VAL 115 HA VAL 115 -28.583 -0.502 -0.502 875 HB VAL 115 HB VAL 115 -28.299 -3.136 -3.136 876 1HG1 VAL 115 3HG1 VAL 115 -27.144 -1.968 -1.968 877 2HG1 VAL 115 2HG1 VAL 115 -28.077 -3.401 -3.401 878 3HG1 VAL 115 1HG1 VAL 115 -26.789 -3.515 -3.515 879 1HG2 VAL 115 1HG2 VAL 115 -30.340 -2.305 -2.305 880 2HG2 VAL 115 3HG2 VAL 115 -30.634 -2.930 -2.930 881 3HG2 VAL 115 2HG2 VAL 115 -29.963 -3.985 -3.985 882 H ARG 116 HN ARG 116 -26.528 0.167 0.167 883 HA ARG 116 HA ARG 116 -25.103 0.302 0.302 884 1HB ARG 116 2HB ARG 116 -24.593 1.632 1.632 885 2HB ARG 116 1HB ARG 116 -23.564 1.831 1.831 886 1HG ARG 116 2HG ARG 116 -25.617 2.663 2.663 887 2HG ARG 116 1HG ARG 116 -26.408 2.723 2.723 888 1HD ARG 116 2HD ARG 116 -25.177 4.495 4.495 889 2HD ARG 116 1HD ARG 116 -23.751 4.009 4.009 890 HE ARG 116 HE ARG 116 -25.775 5.826 5.826 891 1HH1 ARG 116 1HH2 ARG 116 -23.574 3.391 3.391 892 2HH1 ARG 116 2HH2 ARG 116 -23.487 4.050 4.050 893 1HH2 ARG 116 1HH1 ARG 116 -25.668 6.701 6.701 894 2HH2 ARG 116 2HH1 ARG 116 -24.678 5.932 5.932 895 H ARG 117 HN ARG 117 -23.261 -0.768 -0.768 896 HA ARG 117 HA ARG 117 -22.087 -2.404 -2.404 897 1HB ARG 117 2HB ARG 117 -23.335 -3.837 -3.837 898 2HB ARG 117 1HB ARG 117 -22.486 -3.155 -3.155 899 1HG ARG 117 2HG ARG 117 -20.442 -4.169 -4.169 900 2HG ARG 117 1HG ARG 117 -21.093 -4.629 -4.629 901 1HD ARG 117 2HD ARG 117 -22.465 -5.618 -5.618 902 2HD ARG 117 1HD ARG 117 -20.931 -6.358 -6.358 903 HE ARG 117 HE ARG 117 -22.528 -6.298 -6.298 904 1HH1 ARG 117 1HH2 ARG 117 -22.544 -7.774 -7.774 905 2HH1 ARG 117 2HH2 ARG 117 -23.427 -9.172 -9.172 906 1HH2 ARG 117 1HH1 ARG 117 -23.691 -8.135 -8.135 907 2HH2 ARG 117 2HH1 ARG 117 -24.080 -9.377 -9.377 908 H LYS 118 HN LYS 118 -20.076 -1.833 -1.833 909 HA LYS 118 HA LYS 118 -18.414 -0.723 -0.723 910 1HB LYS 118 2HB LYS 118 -18.815 0.120 0.120 911 2HB LYS 118 1HB LYS 118 -17.171 0.206 0.206 912 1HG LYS 118 2HG LYS 118 -19.030 1.325 1.325 913 2HG LYS 118 1HG LYS 118 -19.199 2.090 2.090 914 1HD LYS 118 2HD LYS 118 -16.423 1.685 1.685 915 2HD LYS 118 1HD LYS 118 -17.338 2.758 2.758 916 1HE LYS 118 2HE LYS 118 -18.090 3.652 3.652 917 2HE LYS 118 1HE LYS 118 -16.424 3.158 3.158 918 1HZ LYS 118 1HZ LYS 118 -16.494 4.566 4.566 919 2HZ LYS 118 3HZ LYS 118 -17.341 5.478 5.478 920 3HZ LYS 118 2HZ LYS 118 -15.744 5.011 5.011 921 H ASN 119 HN ASN 119 -16.078 -1.053 -1.053 922 HA ASN 119 HA ASN 119 -15.378 -3.431 -3.431 923 1HB ASN 119 2HB ASN 119 -14.027 -4.155 -4.155 924 2HB ASN 119 1HB ASN 119 -15.740 -4.544 -4.544 925 1HD2 ASN 119 2HD2 ASN 119 -16.410 -3.058 -3.058 926 2HD2 ASN 119 1HD2 ASN 119 -16.697 -4.315 -4.315 927 H LEU 120 HN LEU 120 -13.267 -3.524 -3.524 928 HA LEU 120 HA LEU 120 -11.551 -1.247 -1.247 929 1HB LEU 120 2HB LEU 120 -11.449 -2.509 -2.509 930 2HB LEU 120 1HB LEU 120 -10.884 -0.927 -0.927 931 HG LEU 120 HG LEU 120 -13.706 -1.804 -1.804 932 1HD1 LEU 120 2HD1 LEU 120 -11.942 0.397 0.397 933 2HD1 LEU 120 1HD1 LEU 120 -13.643 0.188 0.188 934 3HD1 LEU 120 3HD1 LEU 120 -12.471 -1.050 -1.050 935 1HD2 LEU 120 2HD2 LEU 120 -12.850 0.046 0.046 936 2HD2 LEU 120 1HD2 LEU 120 -14.487 -0.422 -0.422 937 3HD2 LEU 120 3HD2 LEU 120 -13.686 0.914 0.914 938 HA PRO 121 HA PRO 121 -9.078 -4.842 -4.842 939 1HB PRO 121 2HB PRO 121 -7.224 -2.632 -2.632 940 2HB PRO 121 1HB PRO 121 -7.786 -3.990 -3.990 941 1HG PRO 121 2HG PRO 121 -8.721 -1.528 -1.528 942 2HG PRO 121 1HG PRO 121 -9.781 -2.944 -2.944 943 1HD PRO 121 2HD PRO 121 -9.554 -0.939 -0.939 944 2HD PRO 121 1HD PRO 121 -10.999 -1.739 -1.739 945 H ILE 122 HN ILE 122 -7.532 -5.934 -5.934 946 HA ILE 122 HA ILE 122 -6.056 -4.491 -4.491 947 HB ILE 122 HB ILE 122 -6.603 -7.451 -7.451 948 1HG1 ILE 122 2HG1 ILE 122 -8.757 -6.264 -6.264 949 2HG1 ILE 122 1HG1 ILE 122 -8.491 -7.021 -7.021 950 1HG2 ILE 122 1HG2 ILE 122 -5.509 -5.450 -5.450 951 2HG2 ILE 122 3HG2 ILE 122 -6.387 -6.842 -6.842 952 3HG2 ILE 122 2HG2 ILE 122 -4.955 -7.084 -7.084 953 1HD1 ILE 122 3HD1 ILE 122 -8.024 -4.113 -4.113 954 2HD1 ILE 122 2HD1 ILE 122 -9.463 -4.772 -4.772 955 3HD1 ILE 122 1HD1 ILE 122 -7.895 -4.895 -4.895 956 H GLU 123 HN GLU 123 -4.083 -4.077 -4.077 957 HA GLU 123 HA GLU 123 -2.718 -6.121 -6.121 958 1HB GLU 123 2HB GLU 123 -2.129 -3.206 -3.206 959 2HB GLU 123 1HB GLU 123 -1.024 -4.271 -4.271 960 1HG GLU 123 2HG GLU 123 -3.384 -4.697 -4.697 961 2HG GLU 123 1HG GLU 123 -3.473 -2.983 -2.983 962 H TYR 124 HN TYR 124 -1.406 -7.493 -7.493 963 HA TYR 124 HA TYR 124 -0.465 -6.990 -6.990 964 1HB TYR 124 2HB TYR 124 -0.180 -9.319 -9.319 965 2HB TYR 124 1HB TYR 124 0.628 -9.274 -9.274 966 HD1 TYR 124 1HD TYR 124 -2.802 -8.673 -8.673 967 HD2 TYR 124 2HD TYR 124 -0.432 -10.371 -10.371 968 HE1 TYR 124 1HE TYR 124 -4.837 -9.548 -9.548 969 HE2 TYR 124 2HE TYR 124 -2.459 -11.252 -11.252 970 HH TYR 124 HH TYR 124 -5.355 -10.235 -10.235 971 H ASN 125 HN ASN 125 1.087 -5.447 -5.447 972 HA ASN 125 HA ASN 125 3.169 -5.263 -5.263 973 1HB ASN 125 2HB ASN 125 2.191 -3.690 -3.690 974 2HB ASN 125 1HB ASN 125 3.935 -3.879 -3.879 975 1HD2 ASN 125 2HD2 ASN 125 3.785 -0.933 -0.933 976 2HD2 ASN 125 1HD2 ASN 125 3.723 -1.501 -1.501 977 H LEU 126 HN LEU 126 4.075 -7.383 -7.383 978 HA LEU 126 HA LEU 126 5.200 -8.524 -8.524 979 1HB LEU 126 2HB LEU 126 5.590 -9.013 -9.013 980 2HB LEU 126 1HB LEU 126 6.537 -9.875 -9.875 981 HG LEU 126 HG LEU 126 3.532 -9.946 -9.946 982 1HD1 LEU 126 2HD1 LEU 126 5.718 -11.887 -11.887 983 2HD1 LEU 126 1HD1 LEU 126 4.045 -12.390 -12.390 984 3HD1 LEU 126 3HD1 LEU 126 4.451 -11.246 -11.246 985 1HD2 LEU 126 2HD2 LEU 126 5.389 -11.213 -11.213 986 2HD2 LEU 126 1HD2 LEU 126 4.033 -10.131 -10.131 987 3HD2 LEU 126 3HD2 LEU 126 3.738 -11.765 -11.765 988 1H ALA 1 2HN ALA 1 44.396 -9.105 -9.105 989 2H ALA 1 1HN ALA 1 44.918 -9.015 -9.015 990 3H ALA 1 3HN ALA 1 43.420 -8.320 -8.320 991 HA ALA 1 HA ALA 1 42.967 -10.308 -10.308 992 1HB ALA 1 3HB ALA 1 45.289 -11.222 -11.222 993 2HB ALA 1 2HB ALA 1 44.714 -11.748 -11.748 994 3HB ALA 1 1HB ALA 1 43.969 -12.386 -12.386 995 H GLN 2 HN GLN 2 41.291 -11.718 -11.718 996 HA GLN 2 HA GLN 2 39.498 -12.348 -12.348 997 1HB GLN 2 2HB GLN 2 41.748 -12.350 -12.350 998 2HB GLN 2 1HB GLN 2 40.199 -12.098 -12.098 999 1HG GLN 2 2HG GLN 2 40.240 -14.262 -14.262 1000 2HG GLN 2 1HG GLN 2 41.265 -14.516 -14.516 1001 1HE2 GLN 2 2HE2 GLN 2 38.534 -15.768 -15.768 1002 2HE2 GLN 2 1HE2 GLN 2 40.162 -15.962 -15.962 1003 H SER 3 HN SER 3 37.681 -11.384 -11.384 1004 HA SER 3 HA SER 3 37.939 -8.699 -8.699 1005 1HB SER 3 2HB SER 3 35.712 -8.327 -8.327 1006 2HB SER 3 1HB SER 3 37.322 -7.940 -7.940 1007 HG SER 3 HG SER 3 36.006 -9.247 -9.247 1008 H VAL 4 HN VAL 4 35.776 -7.942 -7.942 1009 HA VAL 4 HA VAL 4 34.041 -10.117 -10.117 1010 HB VAL 4 HB VAL 4 34.163 -9.425 -9.425 1011 1HG1 VAL 4 3HG1 VAL 4 36.780 -10.288 -10.288 1012 2HG1 VAL 4 2HG1 VAL 4 36.373 -10.417 -10.417 1013 3HG1 VAL 4 1HG1 VAL 4 35.457 -11.334 -11.334 1014 1HG2 VAL 4 2HG2 VAL 4 35.865 -7.348 -7.348 1015 2HG2 VAL 4 1HG2 VAL 4 34.989 -7.384 -7.384 1016 3HG2 VAL 4 3HG2 VAL 4 36.578 -8.141 -8.141 1017 HA PRO 5 HA PRO 5 31.470 -6.472 -6.472 1018 1HB PRO 5 2HB PRO 5 29.247 -7.821 -7.821 1019 2HB PRO 5 1HB PRO 5 30.620 -7.678 -7.678 1020 1HG PRO 5 2HG PRO 5 29.847 -9.963 -9.963 1021 2HG PRO 5 1HG PRO 5 30.412 -9.992 -9.992 1022 1HD PRO 5 2HD PRO 5 32.025 -10.501 -10.501 1023 2HD PRO 5 1HD PRO 5 32.617 -9.844 -9.844 1024 HA PRO 6 HA PRO 6 29.259 -6.188 -6.188 1025 1HB PRO 6 2HB PRO 6 27.309 -4.428 -4.428 1026 2HB PRO 6 1HB PRO 6 29.007 -3.952 -3.952 1027 1HG PRO 6 2HG PRO 6 27.370 -4.562 -4.562 1028 2HG PRO 6 1HG PRO 6 28.531 -3.248 -3.248 1029 1HD PRO 6 2HD PRO 6 29.140 -5.520 -5.520 1030 2HD PRO 6 1HD PRO 6 30.341 -4.589 -4.589 1031 H GLY 7 HN GLY 7 28.199 -7.996 -7.996 1032 1HA GLY 7 2HA GLY 7 26.326 -9.464 -9.464 1033 2HA GLY 7 1HA GLY 7 26.413 -9.399 -9.399 1034 H ASP 8 HN ASP 8 24.229 -9.308 -9.308 1035 HA ASP 8 HA ASP 8 22.834 -6.910 -6.910 1036 1HB ASP 8 2HB ASP 8 21.597 -9.662 -9.662 1037 2HB ASP 8 1HB ASP 8 20.891 -8.142 -8.142 1038 H ILE 9 HN ILE 9 21.333 -6.067 -6.067 1039 HA ILE 9 HA ILE 9 21.145 -7.370 -7.370 1040 HB ILE 9 HB ILE 9 20.527 -5.193 -5.193 1041 1HG1 ILE 9 2HG1 ILE 9 21.086 -3.884 -3.884 1042 2HG1 ILE 9 1HG1 ILE 9 19.480 -4.533 -4.533 1043 1HG2 ILE 9 1HG2 ILE 9 23.018 -5.458 -5.458 1044 2HG2 ILE 9 3HG2 ILE 9 22.681 -3.938 -3.938 1045 3HG2 ILE 9 2HG2 ILE 9 22.808 -5.436 -5.436 1046 1HD1 ILE 9 2HD1 ILE 9 20.467 -2.905 -2.905 1047 2HD1 ILE 9 1HD1 ILE 9 20.369 -2.027 -2.027 1048 3HD1 ILE 9 3HD1 ILE 9 18.937 -2.828 -2.828 1049 H ASN 10 HN ASN 10 19.175 -7.653 -7.653 1050 HA ASN 10 HA ASN 10 16.878 -7.800 -7.800 1051 1HB ASN 10 2HB ASN 10 17.785 -9.257 -9.257 1052 2HB ASN 10 1HB ASN 10 16.102 -8.764 -8.764 1053 1HD2 ASN 10 2HD2 ASN 10 17.052 -11.891 -11.891 1054 2HD2 ASN 10 1HD2 ASN 10 18.117 -11.116 -11.116 1055 H THR 11 HN THR 11 14.948 -6.735 -6.735 1056 HA THR 11 HA THR 11 14.850 -4.809 -4.809 1057 HB THR 11 HB THR 11 13.609 -3.392 -3.392 1058 HG1 THR 11 1HG THR 11 14.943 -3.565 -3.565 1059 1HG2 THR 11 3HG2 THR 11 15.447 -2.597 -2.597 1060 2HG2 THR 11 2HG2 THR 11 16.594 -3.339 -3.339 1061 3HG2 THR 11 1HG2 THR 11 15.553 -2.027 -2.027 1062 H GLN 12 HN GLN 12 12.765 -4.179 -4.179 1063 HA GLN 12 HA GLN 12 10.529 -5.721 -5.721 1064 1HB GLN 12 2HB GLN 12 11.611 -5.794 -5.794 1065 2HB GLN 12 1HB GLN 12 9.860 -5.746 -5.746 1066 1HG GLN 12 2HG GLN 12 9.743 -7.814 -7.814 1067 2HG GLN 12 1HG GLN 12 11.362 -7.708 -7.708 1068 1HE2 GLN 12 2HE2 GLN 12 11.826 -10.161 -10.161 1069 2HE2 GLN 12 1HE2 GLN 12 11.239 -9.975 -9.975 1070 HA PRO 13 HA PRO 13 8.592 -5.347 -5.347 1071 1HB PRO 13 2HB PRO 13 7.974 -3.643 -3.643 1072 2HB PRO 13 1HB PRO 13 6.863 -4.052 -4.052 1073 1HG PRO 13 2HG PRO 13 8.616 -1.646 -1.646 1074 2HG PRO 13 1HG PRO 13 6.932 -1.740 -1.740 1075 1HD PRO 13 2HD PRO 13 8.963 -1.462 -1.462 1076 2HD PRO 13 1HD PRO 13 7.540 -2.449 -2.449 1077 H SER 14 HN SER 14 9.280 -6.014 -6.014 1078 HA SER 14 HA SER 14 11.971 -6.186 -6.186 1079 1HB SER 14 2HB SER 14 10.333 -7.564 -7.564 1080 2HB SER 14 1HB SER 14 9.902 -6.172 -6.172 1081 HG SER 14 HG SER 14 11.625 -7.837 -7.837 1082 H GLN 15 HN GLN 15 10.014 -4.172 -4.172 1083 HA GLN 15 HA GLN 15 11.871 -1.970 -1.970 1084 1HB GLN 15 2HB GLN 15 11.516 -2.832 -2.832 1085 2HB GLN 15 1HB GLN 15 12.875 -2.024 -2.024 1086 1HG GLN 15 2HG GLN 15 13.747 -4.038 -4.038 1087 2HG GLN 15 1HG GLN 15 12.244 -4.909 -4.909 1088 1HE2 GLN 15 2HE2 GLN 15 13.706 -6.167 -6.167 1089 2HE2 GLN 15 1HE2 GLN 15 13.012 -6.467 -6.467 1090 H LYS 16 HN LYS 16 9.125 -2.214 -2.214 1091 HA LYS 16 HA LYS 16 8.124 0.021 0.021 1092 1HB LYS 16 2HB LYS 16 6.028 -1.227 -1.227 1093 2HB LYS 16 1HB LYS 16 7.497 -1.493 -1.493 1094 1HG LYS 16 2HG LYS 16 7.528 -3.455 -3.455 1095 2HG LYS 16 1HG LYS 16 5.856 -3.382 -3.382 1096 1HD LYS 16 2HD LYS 16 8.268 -3.649 -3.649 1097 2HD LYS 16 1HD LYS 16 7.243 -4.988 -4.988 1098 1HE LYS 16 2HE LYS 16 5.836 -4.566 -4.566 1099 2HE LYS 16 1HE LYS 16 5.571 -2.939 -2.939 1100 1HZ LYS 16 2HZ LYS 16 7.882 -3.633 -3.633 1101 2HZ LYS 16 1HZ LYS 16 6.406 -3.096 -3.096 1102 3HZ LYS 16 3HZ LYS 16 7.306 -2.092 -2.092 1103 H ILE 17 HN ILE 17 6.608 1.114 1.114 1104 HA ILE 17 HA ILE 17 5.125 -0.205 -0.205 1105 HB ILE 17 HB ILE 17 7.167 0.488 0.488 1106 1HG1 ILE 17 2HG1 ILE 17 5.061 2.480 2.480 1107 2HG1 ILE 17 1HG1 ILE 17 4.791 0.751 0.751 1108 1HG2 ILE 17 1HG2 ILE 17 7.592 2.372 2.372 1109 2HG2 ILE 17 3HG2 ILE 17 6.527 3.343 3.343 1110 3HG2 ILE 17 2HG2 ILE 17 8.012 2.668 2.668 1111 1HD1 ILE 17 2HD1 ILE 17 7.316 1.260 1.260 1112 2HD1 ILE 17 1HD1 ILE 17 6.269 2.564 2.564 1113 3HD1 ILE 17 3HD1 ILE 17 5.823 0.885 0.885 1114 H VAL 18 HN VAL 18 3.167 0.725 0.725 1115 HA VAL 18 HA VAL 18 2.581 3.213 3.213 1116 HB VAL 18 HB VAL 18 0.673 0.936 0.936 1117 1HG1 VAL 18 2HG1 VAL 18 -0.166 3.379 3.379 1118 2HG1 VAL 18 1HG1 VAL 18 0.197 3.184 3.184 1119 3HG1 VAL 18 3HG1 VAL 18 -0.967 2.115 2.115 1120 1HG2 VAL 18 2HG2 VAL 18 2.683 0.981 0.981 1121 2HG2 VAL 18 1HG2 VAL 18 1.215 0.007 0.007 1122 3HG2 VAL 18 3HG2 VAL 18 1.290 1.566 1.566 1123 H PHE 19 HN PHE 19 2.202 4.862 4.862 1124 HA PHE 19 HA PHE 19 1.577 4.510 4.510 1125 1HB PHE 19 2HB PHE 19 1.924 6.872 6.872 1126 2HB PHE 19 1HB PHE 19 1.213 7.097 7.097 1127 HD1 PHE 19 1HD PHE 19 3.896 4.720 4.720 1128 HD2 PHE 19 2HD PHE 19 2.881 8.333 8.333 1129 HE1 PHE 19 1HE PHE 19 6.148 4.799 4.799 1130 HE2 PHE 19 2HE PHE 19 5.131 8.419 8.419 1131 HZ PHE 19 HZ PHE 19 6.768 6.651 6.651 1132 H ASN 20 HN ASN 20 -0.380 3.516 3.516 1133 HA ASN 20 HA ASN 20 -2.706 4.220 4.220 1134 1HB ASN 20 2HB ASN 20 -2.396 2.681 2.681 1135 2HB ASN 20 1HB ASN 20 -3.896 2.807 2.807 1136 1HD2 ASN 20 2HD2 ASN 20 -1.050 0.163 0.163 1137 2HD2 ASN 20 1HD2 ASN 20 -0.909 1.217 1.217 1138 H ALA 21 HN ALA 21 -4.317 5.596 5.596 1139 HA ALA 21 HA ALA 21 -3.907 7.696 7.696 1140 1HB ALA 21 3HB ALA 21 -5.325 7.375 7.375 1141 2HB ALA 21 2HB ALA 21 -6.559 7.635 7.635 1142 3HB ALA 21 1HB ALA 21 -5.267 8.816 8.816 1143 HA PRO 22 HA PRO 22 -6.045 9.181 9.181 1144 1HB PRO 22 2HB PRO 22 -6.949 10.364 10.364 1145 2HB PRO 22 1HB PRO 22 -8.030 9.430 9.430 1146 1HG PRO 22 2HG PRO 22 -6.734 8.640 8.640 1147 2HG PRO 22 1HG PRO 22 -8.395 8.355 8.355 1148 1HD PRO 22 2HD PRO 22 -6.372 6.492 6.492 1149 2HD PRO 22 1HD PRO 22 -7.805 6.491 6.491 1150 H TYR 23 HN TYR 23 -4.920 11.124 11.124 1151 HA TYR 23 HA TYR 23 -2.496 10.542 10.542 1152 1HB TYR 23 2HB TYR 23 -3.093 12.622 12.622 1153 2HB TYR 23 1HB TYR 23 -1.605 12.600 12.600 1154 HD1 TYR 23 2HD TYR 23 -0.704 9.944 9.944 1155 HD2 TYR 23 1HD TYR 23 -2.745 11.879 11.879 1156 HE1 TYR 23 2HE TYR 23 0.281 8.350 8.350 1157 HE2 TYR 23 1HE TYR 23 -1.764 10.291 10.291 1158 HH TYR 23 HH TYR 23 -0.779 8.108 8.108 1159 H ASP 24 HN ASP 24 -4.700 10.997 10.997 1160 HA ASP 24 HA ASP 24 -4.178 13.681 13.681 1161 1HB ASP 24 2HB ASP 24 -6.809 12.202 12.202 1162 2HB ASP 24 1HB ASP 24 -6.545 13.699 13.699 1163 H ASP 25 HN ASP 25 -3.503 10.597 10.597 1164 HA ASP 25 HA ASP 25 -3.680 10.951 10.951 1165 1HB ASP 25 2HB ASP 25 -5.452 9.356 9.356 1166 2HB ASP 25 1HB ASP 25 -4.102 8.237 8.237 1167 H LYS 26 HN LYS 26 -1.621 10.768 10.768 1168 HA LYS 26 HA LYS 26 0.577 10.235 10.235 1169 1HB LYS 26 2HB LYS 26 0.352 9.759 9.759 1170 2HB LYS 26 1HB LYS 26 1.866 9.808 9.808 1171 1HG LYS 26 2HG LYS 26 1.351 12.137 12.137 1172 2HG LYS 26 1HG LYS 26 -0.087 12.068 12.068 1173 1HD LYS 26 2HD LYS 26 1.109 12.457 12.457 1174 2HD LYS 26 1HD LYS 26 2.266 11.190 11.190 1175 1HE LYS 26 2HE LYS 26 3.669 12.639 12.639 1176 2HE LYS 26 1HE LYS 26 2.376 13.784 13.784 1177 1HZ LYS 26 3HZ LYS 26 2.337 14.311 14.311 1178 2HZ LYS 26 2HZ LYS 26 3.712 13.348 13.348 1179 3HZ LYS 26 1HZ LYS 26 3.786 14.733 14.733 1180 H HIS 27 HN HIS 27 1.708 8.462 8.462 1181 HA HIS 27 HA HIS 27 0.940 5.843 5.843 1182 1HB HIS 27 2HB HIS 27 0.514 6.819 6.819 1183 2HB HIS 27 1HB HIS 27 1.167 5.191 5.191 1184 HD1 HIS 27 1HD HIS 27 -0.407 3.969 3.969 1185 HD2 HIS 27 2HD HIS 27 -2.115 6.561 6.561 1186 HE1 HIS 27 1HE HIS 27 -2.890 3.493 3.493 1187 H THR 28 HN THR 28 2.908 5.524 5.524 1188 HA THR 28 HA THR 28 5.376 6.025 6.025 1189 HB THR 28 HB THR 28 4.978 4.348 4.348 1190 HG1 THR 28 1HG THR 28 5.125 7.157 7.157 1191 1HG2 THR 28 3HG2 THR 28 7.307 5.841 5.841 1192 2HG2 THR 28 2HG2 THR 28 7.201 5.450 5.450 1193 3HG2 THR 28 1HG2 THR 28 7.213 4.157 4.157 1194 H TYR 29 HN TYR 29 6.220 4.775 4.775 1195 HA TYR 29 HA TYR 29 5.420 1.955 1.955 1196 1HB TYR 29 2HB TYR 29 6.658 3.768 3.768 1197 2HB TYR 29 1HB TYR 29 6.323 2.058 2.058 1198 HD1 TYR 29 2HD TYR 29 3.931 1.266 1.266 1199 HD2 TYR 29 1HD TYR 29 4.964 5.391 5.391 1200 HE1 TYR 29 2HE TYR 29 1.643 1.815 1.815 1201 HE2 TYR 29 1HE TYR 29 2.679 5.952 5.952 1202 HH TYR 29 HH TYR 29 0.332 4.797 4.797 1203 H HIS 30 HN HIS 30 6.772 0.607 0.607 1204 HA HIS 30 HA HIS 30 9.562 1.283 1.283 1205 1HB HIS 30 2HB HIS 30 7.699 -0.773 -0.773 1206 2HB HIS 30 1HB HIS 30 9.404 -1.207 -1.207 1207 HD1 HIS 30 1HD HIS 30 6.976 0.889 0.889 1208 HD2 HIS 30 2HD HIS 30 11.090 0.359 0.359 1209 HE1 HIS 30 1HE HIS 30 7.952 2.020 2.020 1210 H ILE 31 HN ILE 31 11.270 0.438 0.438 1211 HA ILE 31 HA ILE 31 10.719 -1.515 -1.515 1212 HB ILE 31 HB ILE 31 12.924 0.548 0.548 1213 1HG1 ILE 31 2HG1 ILE 31 10.394 0.415 0.415 1214 2HG1 ILE 31 1HG1 ILE 31 10.778 1.604 1.604 1215 1HG2 ILE 31 1HG2 ILE 31 12.230 -1.558 -1.558 1216 2HG2 ILE 31 3HG2 ILE 31 13.213 -0.147 -0.147 1217 3HG2 ILE 31 2HG2 ILE 31 13.766 -1.294 -1.294 1218 1HD1 ILE 31 1HD1 ILE 31 12.572 1.317 1.317 1219 2HD1 ILE 31 3HD1 ILE 31 11.048 2.192 2.192 1220 3HD1 ILE 31 2HD1 ILE 31 12.257 2.726 2.726 1221 H LYS 32 HN LYS 32 11.940 -3.345 -3.345 1222 HA LYS 32 HA LYS 32 13.912 -3.751 -3.751 1223 1HB LYS 32 2HB LYS 32 11.703 -5.360 -5.360 1224 2HB LYS 32 1HB LYS 32 13.214 -6.258 -6.258 1225 1HG LYS 32 2HG LYS 32 13.273 -5.032 -5.032 1226 2HG LYS 32 1HG LYS 32 11.572 -5.455 -5.455 1227 1HD LYS 32 2HD LYS 32 12.864 -7.713 -7.713 1228 2HD LYS 32 1HD LYS 32 13.894 -7.169 -7.169 1229 1HE LYS 32 2HE LYS 32 12.266 -8.651 -8.651 1230 2HE LYS 32 1HE LYS 32 11.844 -7.015 -7.015 1231 1HZ LYS 32 2HZ LYS 32 10.631 -8.229 -8.229 1232 2HZ LYS 32 1HZ LYS 32 9.991 -8.515 -8.515 1233 3HZ LYS 32 3HZ LYS 32 10.063 -6.936 -6.936 1234 H ILE 33 HN ILE 33 15.958 -4.049 -4.049 1235 HA ILE 33 HA ILE 33 16.567 -4.884 -4.884 1236 HB ILE 33 HB ILE 33 18.300 -3.101 -3.101 1237 1HG1 ILE 33 2HG1 ILE 33 16.770 -2.145 -2.145 1238 2HG1 ILE 33 1HG1 ILE 33 15.982 -2.203 -2.203 1239 1HG2 ILE 33 2HG2 ILE 33 18.518 -4.289 -4.289 1240 2HG2 ILE 33 1HG2 ILE 33 19.110 -2.640 -2.640 1241 3HG2 ILE 33 3HG2 ILE 33 19.769 -3.949 -3.949 1242 1HD1 ILE 33 3HD1 ILE 33 18.612 -0.827 -0.827 1243 2HD1 ILE 33 2HD1 ILE 33 17.111 -0.019 -0.019 1244 3HD1 ILE 33 1HD1 ILE 33 17.350 -0.568 -0.568 1245 H THR 34 HN THR 34 18.499 -6.133 -6.133 1246 HA THR 34 HA THR 34 19.766 -7.243 -7.243 1247 HB THR 34 HB THR 34 18.147 -8.927 -8.927 1248 HG1 THR 34 1HG THR 34 16.800 -8.450 -8.450 1249 1HG2 THR 34 3HG2 THR 34 20.051 -9.844 -9.844 1250 2HG2 THR 34 2HG2 THR 34 18.877 -10.870 -10.870 1251 3HG2 THR 34 1HG2 THR 34 20.193 -10.126 -10.126 1252 H ASN 35 HN ASN 35 21.616 -8.567 -8.567 1253 HA ASN 35 HA ASN 35 22.918 -7.699 -7.699 1254 1HB ASN 35 2HB ASN 35 23.817 -7.764 -7.764 1255 2HB ASN 35 1HB ASN 35 24.502 -9.248 -9.248 1256 1HD2 ASN 35 2HD2 ASN 35 26.115 -7.193 -7.193 1257 2HD2 ASN 35 1HD2 ASN 35 24.844 -8.362 -8.362 1258 H ALA 36 HN ALA 36 22.632 -9.031 -9.031 1259 HA ALA 36 HA ALA 36 22.438 -11.912 -11.912 1260 1HB ALA 36 1HB ALA 36 21.074 -10.215 -10.215 1261 2HB ALA 36 3HB ALA 36 22.222 -11.004 -11.004 1262 3HB ALA 36 2HB ALA 36 21.108 -11.974 -11.974 1263 H GLY 37 HN GLY 37 24.971 -10.271 -10.271 1264 1HA GLY 37 2HA GLY 37 26.472 -11.700 -11.700 1265 2HA GLY 37 1HA GLY 37 26.952 -10.147 -10.147 1266 H GLY 38 HN GLY 38 29.004 -10.953 -10.953 1267 1HA GLY 38 2HA GLY 38 28.981 -12.859 -12.859 1268 2HA GLY 38 1HA GLY 38 30.286 -12.761 -12.761 1269 H ARG 39 HN ARG 39 29.886 -9.711 -9.711 1270 HA ARG 39 HA ARG 39 31.318 -9.297 -9.297 1271 1HB ARG 39 2HB ARG 39 31.806 -7.657 -7.657 1272 2HB ARG 39 1HB ARG 39 32.805 -7.781 -7.781 1273 1HG ARG 39 2HG ARG 39 32.563 -10.374 -10.374 1274 2HG ARG 39 1HG ARG 39 32.988 -9.249 -9.249 1275 1HD ARG 39 2HD ARG 39 34.476 -8.845 -8.845 1276 2HD ARG 39 1HD ARG 39 34.758 -10.409 -10.409 1277 HE ARG 39 HE ARG 39 34.968 -8.525 -8.525 1278 1HH1 ARG 39 1HH2 ARG 39 36.562 -9.225 -9.225 1279 2HH1 ARG 39 2HH2 ARG 39 38.089 -8.585 -8.585 1280 1HH2 ARG 39 1HH1 ARG 39 36.975 -7.677 -7.677 1281 2HH2 ARG 39 2HH1 ARG 39 38.323 -7.704 -7.704 1282 H ARG 40 HN ARG 40 31.043 -7.256 -7.256 1283 HA ARG 40 HA ARG 40 28.440 -6.309 -6.309 1284 1HB ARG 40 2HB ARG 40 29.577 -4.228 -4.228 1285 2HB ARG 40 1HB ARG 40 29.731 -5.784 -5.784 1286 1HG ARG 40 2HG ARG 40 31.868 -5.395 -5.395 1287 2HG ARG 40 1HG ARG 40 31.782 -4.059 -4.059 1288 1HD ARG 40 2HD ARG 40 31.842 -6.978 -6.978 1289 2HD ARG 40 1HD ARG 40 33.246 -5.913 -5.913 1290 HE ARG 40 HE ARG 40 31.471 -4.623 -4.623 1291 1HH1 ARG 40 1HH2 ARG 40 32.778 -7.850 -7.850 1292 2HH1 ARG 40 2HH2 ARG 40 32.673 -8.054 -8.054 1293 1HH2 ARG 40 1HH1 ARG 40 31.328 -4.881 -4.881 1294 2HH2 ARG 40 2HH1 ARG 40 31.848 -6.367 -6.367 1295 H ILE 41 HN ILE 41 27.795 -3.961 -3.961 1296 HA ILE 41 HA ILE 41 29.029 -2.708 -2.708 1297 HB ILE 41 HB ILE 41 27.019 -2.711 -2.711 1298 1HG1 ILE 41 2HG1 ILE 41 25.901 -4.564 -4.564 1299 2HG1 ILE 41 1HG1 ILE 41 25.335 -2.937 -2.937 1300 1HG2 ILE 41 3HG2 ILE 41 28.797 -4.525 -4.525 1301 2HG2 ILE 41 2HG2 ILE 41 27.630 -5.566 -5.566 1302 3HG2 ILE 41 1HG2 ILE 41 27.242 -4.872 -4.872 1303 1HD1 ILE 41 2HD1 ILE 41 25.347 -4.941 -4.941 1304 2HD1 ILE 41 1HD1 ILE 41 24.114 -5.067 -5.067 1305 3HD1 ILE 41 3HD1 ILE 41 24.250 -3.592 -3.592 1306 H GLY 42 HN GLY 42 28.360 -0.578 -0.578 1307 1HA GLY 42 2HA GLY 42 26.812 0.574 0.574 1308 2HA GLY 42 1HA GLY 42 28.034 1.433 1.433 1309 H TRP 43 HN TRP 43 24.760 0.970 0.970 1310 HA TRP 43 HA TRP 43 24.108 1.714 1.714 1311 1HB TRP 43 2HB TRP 43 21.758 1.202 1.202 1312 2HB TRP 43 1HB TRP 43 22.855 -0.172 -0.172 1313 HD1 TRP 43 1HD TRP 43 23.446 -1.073 -1.073 1314 HE1 TRP 43 1HE TRP 43 22.283 -0.756 -0.756 1315 HE3 TRP 43 3HE TRP 43 20.440 2.892 2.892 1316 HZ2 TRP 43 2HZ TRP 43 20.345 0.949 0.949 1317 HZ3 TRP 43 3HZ TRP 43 18.962 3.808 3.808 1318 HH2 TRP 43 2HH TRP 43 18.917 2.855 2.855 1319 H ALA 44 HN ALA 44 22.434 3.309 3.309 1320 HA ALA 44 HA ALA 44 22.077 5.322 5.322 1321 1HB ALA 44 3HB ALA 44 24.124 6.021 6.021 1322 2HB ALA 44 2HB ALA 44 23.280 5.985 5.985 1323 3HB ALA 44 1HB ALA 44 22.806 7.150 7.150 1324 H ILE 45 HN ILE 45 20.295 6.727 6.727 1325 HA ILE 45 HA ILE 45 18.497 5.726 5.726 1326 HB ILE 45 HB ILE 45 17.612 7.069 7.069 1327 1HG1 ILE 45 2HG1 ILE 45 18.838 4.978 4.978 1328 2HG1 ILE 45 1HG1 ILE 45 17.124 4.857 4.857 1329 1HG2 ILE 45 3HG2 ILE 45 16.154 5.398 5.398 1330 2HG2 ILE 45 2HG2 ILE 45 15.451 6.043 6.043 1331 3HG2 ILE 45 1HG2 ILE 45 16.011 7.141 7.141 1332 1HD1 ILE 45 2HD1 ILE 45 17.269 3.938 3.938 1333 2HD1 ILE 45 1HD1 ILE 45 18.734 3.308 3.308 1334 3HD1 ILE 45 3HD1 ILE 45 17.157 2.952 2.952 1335 H LYS 46 HN LYS 46 17.342 7.144 7.144 1336 HA LYS 46 HA LYS 46 17.806 10.016 10.016 1337 1HB LYS 46 2HB LYS 46 18.470 8.353 8.353 1338 2HB LYS 46 1HB LYS 46 17.867 9.984 9.984 1339 1HG LYS 46 2HG LYS 46 20.157 9.460 9.460 1340 2HG LYS 46 1HG LYS 46 20.399 9.623 9.623 1341 1HD LYS 46 2HD LYS 46 18.800 11.776 11.776 1342 2HD LYS 46 1HD LYS 46 19.846 11.659 11.659 1343 1HE LYS 46 2HE LYS 46 20.824 11.712 11.712 1344 2HE LYS 46 1HE LYS 46 20.746 13.123 13.123 1345 1HZ LYS 46 3HZ LYS 46 22.260 10.681 10.681 1346 2HZ LYS 46 2HZ LYS 46 22.956 11.958 11.958 1347 3HZ LYS 46 1HZ LYS 46 22.365 12.218 12.218 1348 H THR 47 HN THR 47 16.109 11.338 11.338 1349 HA THR 47 HA THR 47 13.763 10.056 10.056 1350 HB THR 47 HB THR 47 12.292 11.182 11.182 1351 HG1 THR 47 1HG THR 47 13.325 12.745 12.745 1352 1HG2 THR 47 3HG2 THR 47 13.992 8.934 8.934 1353 2HG2 THR 47 2HG2 THR 47 13.601 9.805 9.805 1354 3HG2 THR 47 1HG2 THR 47 12.307 9.209 9.209 1355 H THR 48 HN THR 48 12.333 11.472 11.472 1356 HA THR 48 HA THR 48 13.543 13.616 13.616 1357 HB THR 48 HB THR 48 10.943 14.137 14.137 1358 HG1 THR 48 1HG THR 48 10.261 12.607 12.607 1359 1HG2 THR 48 1HG2 THR 48 12.906 12.758 12.758 1360 2HG2 THR 48 3HG2 THR 48 11.536 11.649 11.649 1361 3HG2 THR 48 2HG2 THR 48 11.337 13.270 13.270 1362 H ASN 49 HN ASN 49 11.493 13.501 13.501 1363 HA ASN 49 HA ASN 49 12.137 16.316 16.316 1364 1HB ASN 49 2HB ASN 49 9.388 15.073 15.073 1365 2HB ASN 49 1HB ASN 49 9.766 16.571 16.571 1366 1HD2 ASN 49 2HD2 ASN 49 10.361 18.373 18.373 1367 2HD2 ASN 49 1HD2 ASN 49 11.096 18.113 18.113 1368 H MET 50 HN MET 50 13.226 16.355 16.355 1369 HA MET 50 HA MET 50 12.801 14.276 14.276 1370 1HB MET 50 2HB MET 50 14.811 16.532 16.532 1371 2HB MET 50 1HB MET 50 14.794 15.190 15.190 1372 1HG MET 50 2HG MET 50 14.955 13.714 13.714 1373 2HG MET 50 1HG MET 50 15.488 15.197 15.197 1374 1HE MET 50 2HE MET 50 15.720 13.113 13.113 1375 2HE MET 50 1HE MET 50 17.160 12.228 12.228 1376 3HE MET 50 3HE MET 50 17.283 13.479 13.479 1377 H ARG 51 HN ARG 51 11.080 16.873 16.873 1378 HA ARG 51 HA ARG 51 11.025 17.938 17.938 1379 1HB ARG 51 2HB ARG 51 9.375 19.583 19.583 1380 2HB ARG 51 1HB ARG 51 11.057 19.698 19.698 1381 1HG ARG 51 2HG ARG 51 10.599 19.151 19.151 1382 2HG ARG 51 1HG ARG 51 9.420 17.921 17.921 1383 1HD ARG 51 2HD ARG 51 8.022 20.059 20.059 1384 2HD ARG 51 1HD ARG 51 9.045 20.824 20.824 1385 HE ARG 51 HE ARG 51 6.919 18.936 18.936 1386 1HH1 ARG 51 1HH2 ARG 51 9.829 20.359 20.359 1387 2HH1 ARG 51 2HH2 ARG 51 9.432 20.012 20.012 1388 1HH2 ARG 51 1HH1 ARG 51 6.384 18.472 18.472 1389 2HH2 ARG 51 2HH1 ARG 51 7.473 18.940 18.940 1390 H ARG 52 HN ARG 52 9.082 16.203 16.203 1391 HA ARG 52 HA ARG 52 6.831 16.062 16.062 1392 1HB ARG 52 2HB ARG 52 6.638 16.493 16.493 1393 2HB ARG 52 1HB ARG 52 6.932 14.768 14.768 1394 1HG ARG 52 2HG ARG 52 4.830 14.281 14.281 1395 2HG ARG 52 1HG ARG 52 4.878 15.286 15.286 1396 1HD ARG 52 2HD ARG 52 4.294 16.177 16.177 1397 2HD ARG 52 1HD ARG 52 3.164 16.116 16.116 1398 HE ARG 52 HE ARG 52 5.248 17.772 17.772 1399 1HH1 ARG 52 1HH2 ARG 52 2.781 17.701 17.701 1400 2HH1 ARG 52 2HH2 ARG 52 2.666 19.426 19.426 1401 1HH2 ARG 52 1HH1 ARG 52 5.107 20.043 20.043 1402 2HH2 ARG 52 2HH1 ARG 52 3.990 20.758 20.758 1403 H LEU 53 HN LEU 53 9.457 14.163 14.163 1404 HA LEU 53 HA LEU 53 8.444 11.833 11.833 1405 1HB LEU 53 2HB LEU 53 10.448 11.569 11.569 1406 2HB LEU 53 1HB LEU 53 9.341 10.368 10.368 1407 HG LEU 53 HG LEU 53 8.242 12.748 12.748 1408 1HD1 LEU 53 3HD1 LEU 53 9.520 10.336 10.336 1409 2HD1 LEU 53 2HD1 LEU 53 8.343 11.352 11.352 1410 3HD1 LEU 53 1HD1 LEU 53 9.877 12.037 12.037 1411 1HD2 LEU 53 2HD2 LEU 53 6.767 11.162 11.162 1412 2HD2 LEU 53 1HD2 LEU 53 6.459 11.220 11.220 1413 3HD2 LEU 53 3HD2 LEU 53 7.359 9.870 9.870 1414 H SER 54 HN SER 54 9.819 10.818 10.818 1415 HA SER 54 HA SER 54 12.555 11.862 11.862 1416 1HB SER 54 2HB SER 54 12.364 12.035 12.035 1417 2HB SER 54 1HB SER 54 11.099 13.006 13.006 1418 HG SER 54 HG SER 54 10.758 11.178 11.178 1419 H VAL 55 HN VAL 55 13.826 10.172 10.172 1420 HA VAL 55 HA VAL 55 13.012 7.523 7.523 1421 HB VAL 55 HB VAL 55 15.090 6.851 6.851 1422 1HG1 VAL 55 3HG1 VAL 55 12.317 7.454 7.454 1423 2HG1 VAL 55 2HG1 VAL 55 13.434 7.269 7.269 1424 3HG1 VAL 55 1HG1 VAL 55 13.245 5.966 5.966 1425 1HG2 VAL 55 3HG2 VAL 55 15.744 9.278 9.278 1426 2HG2 VAL 55 2HG2 VAL 55 15.703 8.291 8.291 1427 3HG2 VAL 55 1HG2 VAL 55 14.381 9.405 9.405 1428 H ASP 56 HN ASP 56 13.894 6.736 6.736 1429 HA ASP 56 HA ASP 56 16.657 7.420 7.420 1430 1HB ASP 56 2HB ASP 56 15.031 8.965 8.965 1431 2HB ASP 56 1HB ASP 56 14.490 7.542 7.542 1432 HA PRO 57 HA PRO 57 18.318 6.729 6.729 1433 1HB PRO 57 2HB PRO 57 20.223 4.907 4.907 1434 2HB PRO 57 1HB PRO 57 19.585 5.103 5.103 1435 1HG PRO 57 2HG PRO 57 18.873 3.069 3.069 1436 2HG PRO 57 1HG PRO 57 19.153 2.844 2.844 1437 1HD PRO 57 2HD PRO 57 16.669 2.997 2.997 1438 2HD PRO 57 1HD PRO 57 17.040 3.561 3.561 1439 HA PRO 58 HA PRO 58 18.291 7.441 7.441 1440 1HB PRO 58 2HB PRO 58 20.387 9.174 9.174 1441 2HB PRO 58 1HB PRO 58 18.786 9.636 9.636 1442 1HG PRO 58 2HG PRO 58 21.236 8.902 8.902 1443 2HG PRO 58 1HG PRO 58 20.078 10.216 10.216 1444 1HD PRO 58 2HD PRO 58 20.007 7.908 7.908 1445 2HD PRO 58 1HD PRO 58 18.533 8.809 8.809 1446 H CYS 59 HN CYS 59 21.372 6.772 6.772 1447 HA CYS 59 HA CYS 59 22.105 5.021 5.021 1448 1HB CYS 59 2HB CYS 59 24.077 6.926 6.926 1449 2HB CYS 59 1HB CYS 59 24.338 5.887 5.887 1450 HG CYS 59 HG CYS 59 22.161 7.854 7.854 1451 H GLY 60 HN GLY 60 24.012 3.601 3.601 1452 1HA GLY 60 2HA GLY 60 24.876 3.223 3.223 1453 2HA GLY 60 1HA GLY 60 23.413 2.268 2.268 1454 H VAL 61 HN VAL 61 25.046 0.560 0.560 1455 HA VAL 61 HA VAL 61 25.902 -0.692 -0.692 1456 HB VAL 61 HB VAL 61 27.891 0.581 0.581 1457 1HG1 VAL 61 1HG1 VAL 61 27.104 -0.094 -0.094 1458 2HG1 VAL 61 3HG1 VAL 61 28.572 -1.034 -1.034 1459 3HG1 VAL 61 2HG1 VAL 61 28.600 0.718 0.718 1460 1HG2 VAL 61 2HG2 VAL 61 27.756 -2.282 -2.282 1461 2HG2 VAL 61 1HG2 VAL 61 28.906 -1.117 -1.117 1462 3HG2 VAL 61 3HG2 VAL 61 29.177 -1.820 -1.820 1463 H LEU 62 HN LEU 62 25.791 -2.900 -2.900 1464 HA LEU 62 HA LEU 62 25.391 -4.142 -4.142 1465 1HB LEU 62 2HB LEU 62 23.554 -5.493 -5.493 1466 2HB LEU 62 1HB LEU 62 23.182 -3.782 -3.782 1467 HG LEU 62 HG LEU 62 24.284 -5.074 -5.074 1468 1HD1 LEU 62 3HD1 LEU 62 21.535 -5.468 -5.468 1469 2HD1 LEU 62 2HD1 LEU 62 21.824 -5.474 -5.474 1470 3HD1 LEU 62 1HD1 LEU 62 22.630 -6.655 -6.655 1471 1HD2 LEU 62 2HD2 LEU 62 22.876 -2.625 -2.625 1472 2HD2 LEU 62 1HD2 LEU 62 23.946 -2.943 -2.943 1473 3HD2 LEU 62 3HD2 LEU 62 22.245 -3.397 -3.397 1474 H ASP 63 HN ASP 63 25.907 -6.359 -6.359 1475 HA ASP 63 HA ASP 63 27.998 -7.149 -7.149 1476 1HB ASP 63 2HB ASP 63 27.216 -7.798 -7.798 1477 2HB ASP 63 1HB ASP 63 27.598 -9.243 -9.243 1478 HA PRO 64 HA PRO 64 26.015 -10.282 -10.282 1479 1HB PRO 64 2HB PRO 64 27.454 -12.510 -12.510 1480 2HB PRO 64 1HB PRO 64 27.470 -11.999 -11.999 1481 1HG PRO 64 2HG PRO 64 29.573 -11.571 -11.571 1482 2HG PRO 64 1HG PRO 64 29.092 -10.388 -10.388 1483 1HD PRO 64 2HD PRO 64 28.620 -10.349 -10.349 1484 2HD PRO 64 1HD PRO 64 29.068 -9.017 -9.017 1485 H LYS 65 HN LYS 65 24.011 -11.024 -11.024 1486 HA LYS 65 HA LYS 65 22.237 -12.301 -12.301 1487 1HB LYS 65 2HB LYS 65 24.007 -13.912 -13.912 1488 2HB LYS 65 1HB LYS 65 23.788 -13.135 -13.135 1489 1HG LYS 65 2HG LYS 65 22.211 -14.658 -14.658 1490 2HG LYS 65 1HG LYS 65 21.214 -13.714 -13.714 1491 1HD LYS 65 2HD LYS 65 22.667 -15.224 -15.224 1492 2HD LYS 65 1HD LYS 65 22.499 -16.329 -16.329 1493 1HE LYS 65 2HE LYS 65 20.655 -16.709 -16.709 1494 2HE LYS 65 1HE LYS 65 20.040 -15.868 -15.868 1495 1HZ LYS 65 2HZ LYS 65 20.864 -14.179 -14.179 1496 2HZ LYS 65 1HZ LYS 65 19.491 -15.130 -15.130 1497 3HZ LYS 65 3HZ LYS 65 19.525 -14.046 -14.046 1498 H GLU 66 HN GLU 66 23.668 -9.779 -9.779 1499 HA GLU 66 HA GLU 66 21.725 -9.609 -9.609 1500 1HB GLU 66 2HB GLU 66 24.135 -8.131 -8.131 1501 2HB GLU 66 1HB GLU 66 22.882 -7.143 -7.143 1502 1HG GLU 66 2HG GLU 66 23.107 -9.418 -9.418 1503 2HG GLU 66 1HG GLU 66 24.756 -8.930 -8.930 1504 H LYS 67 HN LYS 67 20.251 -7.824 -7.824 1505 HA LYS 67 HA LYS 67 19.426 -6.554 -6.554 1506 1HB LYS 67 2HB LYS 67 17.036 -6.929 -6.929 1507 2HB LYS 67 1HB LYS 67 17.906 -8.368 -8.368 1508 1HG LYS 67 2HG LYS 67 17.949 -7.727 -7.727 1509 2HG LYS 67 1HG LYS 67 16.423 -8.289 -8.289 1510 1HD LYS 67 2HD LYS 67 17.544 -10.275 -10.275 1511 2HD LYS 67 1HD LYS 67 19.078 -9.709 -9.709 1512 1HE LYS 67 2HE LYS 67 18.546 -10.938 -10.938 1513 2HE LYS 67 1HE LYS 67 17.441 -9.622 -9.622 1514 1HZ LYS 67 2HZ LYS 67 15.913 -11.030 -11.030 1515 2HZ LYS 67 1HZ LYS 67 16.867 -12.286 -12.286 1516 3HZ LYS 67 3HZ LYS 67 15.969 -11.314 -11.314 1517 H VAL 68 HN VAL 68 18.362 -4.554 -4.554 1518 HA VAL 68 HA VAL 68 18.554 -3.336 -3.336 1519 HB VAL 68 HB VAL 68 18.989 -1.168 -1.168 1520 1HG1 VAL 68 3HG1 VAL 68 20.742 -2.687 -2.687 1521 2HG1 VAL 68 2HG1 VAL 68 21.122 -3.196 -3.196 1522 3HG1 VAL 68 1HG1 VAL 68 21.314 -1.507 -1.507 1523 1HG2 VAL 68 3HG2 VAL 68 19.349 -3.005 -3.005 1524 2HG2 VAL 68 2HG2 VAL 68 18.175 -1.699 -1.699 1525 3HG2 VAL 68 1HG2 VAL 68 19.896 -1.329 -1.329 1526 H LEU 69 HN LEU 69 17.017 -1.719 -1.719 1527 HA LEU 69 HA LEU 69 14.515 -1.983 -1.983 1528 1HB LEU 69 2HB LEU 69 15.168 -1.551 -1.551 1529 2HB LEU 69 1HB LEU 69 13.700 -0.815 -0.815 1530 HG LEU 69 HG LEU 69 14.327 -3.758 -3.758 1531 1HD1 LEU 69 2HD1 LEU 69 14.090 -3.076 -3.076 1532 2HD1 LEU 69 1HD1 LEU 69 12.537 -2.332 -2.332 1533 3HD1 LEU 69 3HD1 LEU 69 12.740 -4.077 -4.077 1534 1HD2 LEU 69 1HD2 LEU 69 12.014 -2.032 -2.032 1535 2HD2 LEU 69 3HD2 LEU 69 12.784 -3.342 -3.342 1536 3HD2 LEU 69 2HD2 LEU 69 11.738 -3.708 -3.708 1537 H MET 70 HN MET 70 13.467 -0.236 -0.236 1538 HA MET 70 HA MET 70 14.646 2.417 2.417 1539 1HB MET 70 2HB MET 70 13.670 1.413 1.413 1540 2HB MET 70 1HB MET 70 14.385 2.985 2.985 1541 1HG MET 70 2HG MET 70 16.448 1.694 1.694 1542 2HG MET 70 1HG MET 70 15.710 0.299 0.299 1543 1HE MET 70 3HE MET 70 14.847 0.344 0.344 1544 2HE MET 70 2HE MET 70 14.282 1.999 1.999 1545 3HE MET 70 1HE MET 70 15.513 1.338 1.338 1546 H ALA 71 HN ALA 71 13.209 4.205 4.205 1547 HA ALA 71 HA ALA 71 10.356 3.533 3.533 1548 1HB ALA 71 1HB ALA 71 10.967 3.610 3.610 1549 2HB ALA 71 3HB ALA 71 11.581 5.250 5.250 1550 3HB ALA 71 2HB ALA 71 9.862 4.915 4.915 1551 H VAL 72 HN VAL 72 9.466 4.718 4.718 1552 HA VAL 72 HA VAL 72 10.598 7.365 7.365 1553 HB VAL 72 HB VAL 72 10.610 5.827 5.827 1554 1HG1 VAL 72 1HG1 VAL 72 8.122 5.018 5.018 1555 2HG1 VAL 72 3HG1 VAL 72 7.805 5.716 5.716 1556 3HG1 VAL 72 2HG1 VAL 72 8.963 4.396 4.396 1557 1HG2 VAL 72 2HG2 VAL 72 9.843 8.396 8.396 1558 2HG2 VAL 72 1HG2 VAL 72 10.009 7.406 7.406 1559 3HG2 VAL 72 3HG2 VAL 72 8.419 7.649 7.649 1560 H SER 73 HN SER 73 9.474 8.465 8.465 1561 HA SER 73 HA SER 73 6.637 8.324 8.324 1562 1HB SER 73 2HB SER 73 8.764 10.127 10.127 1563 2HB SER 73 1HB SER 73 7.057 10.500 10.500 1564 HG SER 73 HG SER 73 8.457 8.938 8.938 1565 H CYS 74 HN CYS 74 5.087 9.438 9.438 1566 HA CYS 74 HA CYS 74 5.882 11.696 11.696 1567 1HB CYS 74 2HB CYS 74 3.979 10.977 10.977 1568 2HB CYS 74 1HB CYS 74 5.368 9.896 9.896 1569 HG CYS 74 HG CYS 74 2.689 8.947 8.947 1570 H ASP 75 HN ASP 75 5.265 13.351 13.351 1571 HA ASP 75 HA ASP 75 3.101 13.477 13.477 1572 1HB ASP 75 2HB ASP 75 3.256 15.965 15.965 1573 2HB ASP 75 1HB ASP 75 4.794 15.181 15.181 1574 H THR 76 HN THR 76 1.009 14.326 14.326 1575 HA THR 76 HA THR 76 -0.431 13.634 13.634 1576 HB THR 76 HB THR 76 -2.341 14.284 14.284 1577 HG1 THR 76 1HG THR 76 -2.319 16.265 16.265 1578 1HG2 THR 76 2HG2 THR 76 -0.483 12.842 12.842 1579 2HG2 THR 76 1HG2 THR 76 -0.954 14.108 14.108 1580 3HG2 THR 76 3HG2 THR 76 -2.180 13.053 13.053 1581 H PHE 77 HN PHE 77 -1.206 14.815 14.815 1582 HA PHE 77 HA PHE 77 -1.028 17.701 17.701 1583 1HB PHE 77 2HB PHE 77 0.419 17.879 17.879 1584 2HB PHE 77 1HB PHE 77 1.253 16.970 16.970 1585 HD1 PHE 77 2HD PHE 77 1.176 14.410 14.410 1586 HD2 PHE 77 1HD PHE 77 0.223 17.017 17.017 1587 HE1 PHE 77 2HE PHE 77 1.577 12.578 12.578 1588 HE2 PHE 77 1HE PHE 77 0.620 15.191 15.191 1589 HZ PHE 77 HZ PHE 77 1.297 12.968 12.968 1590 H ASN 78 HN ASN 78 -1.448 18.315 18.315 1591 HA ASN 78 HA ASN 78 -3.956 16.908 16.908 1592 1HB ASN 78 2HB ASN 78 -3.029 19.729 19.729 1593 2HB ASN 78 1HB ASN 78 -4.320 19.060 19.060 1594 1HD2 ASN 78 2HD2 ASN 78 -5.132 20.492 20.492 1595 2HD2 ASN 78 1HD2 ASN 78 -3.658 20.752 20.752 1596 H ALA 79 HN ALA 79 -3.698 15.407 15.407 1597 HA ALA 79 HA ALA 79 -1.747 15.820 15.820 1598 1HB ALA 79 1HB ALA 79 -3.267 13.409 13.409 1599 2HB ALA 79 3HB ALA 79 -2.329 13.416 13.416 1600 3HB ALA 79 2HB ALA 79 -1.529 13.699 13.699 1601 H ALA 80 HN ALA 80 -4.522 17.101 17.101 1602 HA ALA 80 HA ALA 80 -5.890 16.044 16.044 1603 1HB ALA 80 1HB ALA 80 -6.783 17.234 17.234 1604 2HB ALA 80 3HB ALA 80 -6.913 18.538 18.538 1605 3HB ALA 80 2HB ALA 80 -7.732 17.001 17.001 1606 H THR 81 HN THR 81 -3.741 18.617 18.617 1607 HA THR 81 HA THR 81 -3.812 19.543 19.543 1608 HB THR 81 HB THR 81 -3.741 21.882 21.882 1609 HG1 THR 81 1HG THR 81 -3.950 20.768 20.768 1610 1HG2 THR 81 2HG2 THR 81 -5.945 20.700 20.700 1611 2HG2 THR 81 1HG2 THR 81 -6.060 20.619 20.619 1612 3HG2 THR 81 3HG2 THR 81 -5.983 22.186 22.186 1613 H GLU 82 HN GLU 82 -1.918 17.849 17.849 1614 HA GLU 82 HA GLU 82 0.474 19.530 19.530 1615 1HB GLU 82 2HB GLU 82 0.193 17.059 17.059 1616 2HB GLU 82 1HB GLU 82 1.559 18.163 18.163 1617 1HG GLU 82 2HG GLU 82 -1.192 19.004 19.004 1618 2HG GLU 82 1HG GLU 82 0.024 18.389 18.389 1619 H ASP 83 HN ASP 83 2.479 17.998 17.998 1620 HA ASP 83 HA ASP 83 1.815 16.307 16.307 1621 1HB ASP 83 2HB ASP 83 4.295 17.827 17.827 1622 2HB ASP 83 1HB ASP 83 4.342 16.558 16.558 1623 H LEU 84 HN LEU 84 1.690 14.213 14.213 1624 HA LEU 84 HA LEU 84 3.787 13.026 13.026 1625 1HB LEU 84 2HB LEU 84 0.885 12.215 12.215 1626 2HB LEU 84 1HB LEU 84 2.197 11.608 11.608 1627 HG LEU 84 HG LEU 84 1.287 14.481 14.481 1628 1HD1 LEU 84 3HD1 LEU 84 -0.445 12.693 12.693 1629 2HD1 LEU 84 2HD1 LEU 84 0.588 12.444 12.444 1630 3HD1 LEU 84 1HD1 LEU 84 -0.130 14.027 14.027 1631 1HD2 LEU 84 1HD2 LEU 84 3.615 13.496 13.496 1632 2HD2 LEU 84 3HD2 LEU 84 2.765 14.798 14.798 1633 3HD2 LEU 84 2HD2 LEU 84 2.625 13.139 13.139 1634 H ASN 85 HN ASN 85 4.335 12.850 12.850 1635 HA ASN 85 HA ASN 85 3.634 10.110 10.110 1636 1HB ASN 85 2HB ASN 85 3.315 12.531 12.531 1637 2HB ASN 85 1HB ASN 85 3.462 10.902 10.902 1638 1HD2 ASN 85 2HD2 ASN 85 -0.119 11.859 11.859 1639 2HD2 ASN 85 1HD2 ASN 85 1.242 12.597 12.597 1640 H ASN 86 HN ASN 86 6.034 11.806 11.806 1641 HA ASN 86 HA ASN 86 7.937 10.600 10.600 1642 1HB ASN 86 2HB ASN 86 7.521 13.453 13.453 1643 2HB ASN 86 1HB ASN 86 9.187 12.962 12.962 1644 1HD2 ASN 86 2HD2 ASN 86 7.973 13.562 13.562 1645 2HD2 ASN 86 1HD2 ASN 86 7.221 14.165 14.165 1646 H ASP 87 HN ASP 87 6.913 10.519 10.519 1647 HA ASP 87 HA ASP 87 9.336 10.905 10.905 1648 1HB ASP 87 2HB ASP 87 6.691 9.632 9.632 1649 2HB ASP 87 1HB ASP 87 8.028 9.783 9.783 1650 H ARG 88 HN ARG 88 10.831 9.428 9.428 1651 HA ARG 88 HA ARG 88 10.403 6.606 6.606 1652 1HB ARG 88 2HB ARG 88 12.421 6.403 6.403 1653 2HB ARG 88 1HB ARG 88 10.808 6.695 6.695 1654 1HG ARG 88 2HG ARG 88 11.272 8.978 8.978 1655 2HG ARG 88 1HG ARG 88 12.763 8.908 8.908 1656 1HD ARG 88 2HD ARG 88 13.854 7.612 7.612 1657 2HD ARG 88 1HD ARG 88 12.340 7.257 7.257 1658 HE ARG 88 HE ARG 88 12.534 9.958 9.958 1659 1HH1 ARG 88 1HH2 ARG 88 14.666 7.332 7.332 1660 2HH1 ARG 88 2HH2 ARG 88 15.433 8.192 8.192 1661 1HH2 ARG 88 1HH1 ARG 88 13.536 11.099 11.099 1662 2HH2 ARG 88 2HH1 ARG 88 14.790 10.333 10.333 1663 H ILE 89 HN ILE 89 11.727 5.546 5.546 1664 HA ILE 89 HA ILE 89 13.806 7.106 7.106 1665 HB ILE 89 HB ILE 89 12.626 4.429 4.429 1666 1HG1 ILE 89 2HG1 ILE 89 12.101 7.197 7.197 1667 2HG1 ILE 89 1HG1 ILE 89 10.977 6.240 6.240 1668 1HG2 ILE 89 2HG2 ILE 89 14.828 6.056 6.056 1669 2HG2 ILE 89 1HG2 ILE 89 13.692 5.419 5.419 1670 3HG2 ILE 89 3HG2 ILE 89 14.539 4.319 4.319 1671 1HD1 ILE 89 1HD1 ILE 89 11.999 4.957 4.957 1672 2HD1 ILE 89 3HD1 ILE 89 10.937 6.346 6.346 1673 3HD1 ILE 89 2HD1 ILE 89 10.380 4.954 4.954 1674 H THR 90 HN THR 90 15.790 6.930 6.930 1675 HA THR 90 HA THR 90 16.583 4.478 4.478 1676 HB THR 90 HB THR 90 17.984 7.147 7.147 1677 HG1 THR 90 1HG THR 90 16.063 7.151 7.151 1678 1HG2 THR 90 1HG2 THR 90 19.426 5.071 5.071 1679 2HG2 THR 90 3HG2 THR 90 18.631 5.050 5.050 1680 3HG2 THR 90 2HG2 THR 90 19.572 6.458 6.458 1681 H ILE 91 HN ILE 91 17.727 2.956 2.956 1682 HA ILE 91 HA ILE 91 19.230 3.644 3.644 1683 HB ILE 91 HB ILE 91 18.188 0.926 0.926 1684 1HG1 ILE 91 2HG1 ILE 91 16.705 1.460 1.460 1685 2HG1 ILE 91 1HG1 ILE 91 17.008 3.129 3.129 1686 1HG2 ILE 91 3HG2 ILE 91 19.868 1.934 1.934 1687 2HG2 ILE 91 2HG2 ILE 91 18.596 0.801 0.801 1688 3HG2 ILE 91 1HG2 ILE 91 19.802 0.334 0.334 1689 1HD1 ILE 91 3HD1 ILE 91 16.256 1.775 1.775 1690 2HD1 ILE 91 2HD1 ILE 91 15.144 1.252 1.252 1691 3HD1 ILE 91 1HD1 ILE 91 15.330 2.969 2.969 1692 H GLU 92 HN GLU 92 21.327 3.874 3.874 1693 HA GLU 92 HA GLU 92 22.551 2.005 2.005 1694 1HB GLU 92 2HB GLU 92 24.378 3.772 3.772 1695 2HB GLU 92 1HB GLU 92 22.831 4.193 4.193 1696 1HG GLU 92 2HG GLU 92 22.278 5.637 5.637 1697 2HG GLU 92 1HG GLU 92 23.547 4.985 4.985 1698 H TRP 93 HN TRP 93 24.124 0.672 0.672 1699 HA TRP 93 HA TRP 93 25.444 1.215 1.215 1700 1HB TRP 93 2HB TRP 93 25.107 -1.017 -1.017 1701 2HB TRP 93 1HB TRP 93 23.533 -0.384 -0.384 1702 HD1 TRP 93 1HD TRP 93 25.679 -3.344 -3.344 1703 HE1 TRP 93 1HE TRP 93 24.768 -4.858 -4.858 1704 HE3 TRP 93 3HE TRP 93 22.323 -0.108 -0.108 1705 HZ2 TRP 93 2HZ TRP 93 22.877 -4.701 -4.701 1706 HZ3 TRP 93 3HZ TRP 93 21.003 -0.867 -0.867 1707 HH2 TRP 93 2HH TRP 93 21.275 -3.116 -3.116 1708 H THR 94 HN THR 94 27.553 0.556 0.556 1709 HA THR 94 HA THR 94 28.680 -0.875 -0.875 1710 HB THR 94 HB THR 94 29.271 1.355 1.355 1711 HG1 THR 94 1HG THR 94 31.251 0.765 0.765 1712 1HG2 THR 94 3HG2 THR 94 28.683 2.194 2.194 1713 2HG2 THR 94 2HG2 THR 94 30.359 1.829 1.829 1714 3HG2 THR 94 1HG2 THR 94 29.994 2.997 2.997 1715 H ASN 95 HN ASN 95 30.407 -2.230 -2.230 1716 HA ASN 95 HA ASN 95 30.521 -3.471 -3.471 1717 1HB ASN 95 2HB ASN 95 32.167 -3.512 -3.512 1718 2HB ASN 95 1HB ASN 95 32.958 -4.092 -4.092 1719 1HD2 ASN 95 2HD2 ASN 95 31.631 -7.218 -7.218 1720 2HD2 ASN 95 1HD2 ASN 95 33.021 -6.222 -6.222 1721 H THR 96 HN THR 96 31.865 -3.343 -3.343 1722 HA THR 96 HA THR 96 33.057 -0.765 -0.765 1723 HB THR 96 HB THR 96 33.695 -2.043 -2.043 1724 HG1 THR 96 1HG THR 96 33.092 -4.098 -4.098 1725 1HG2 THR 96 3HG2 THR 96 31.441 -0.562 -0.562 1726 2HG2 THR 96 2HG2 THR 96 30.856 -1.929 -1.929 1727 3HG2 THR 96 1HG2 THR 96 32.055 -0.830 -0.830 1728 HA PRO 97 HA PRO 97 37.205 -1.779 -1.779 1729 1HB PRO 97 2HB PRO 97 38.561 -0.050 -0.050 1730 2HB PRO 97 1HB PRO 97 37.697 0.457 0.457 1731 1HG PRO 97 2HG PRO 97 36.833 0.596 0.596 1732 2HG PRO 97 1HG PRO 97 36.649 1.805 1.805 1733 1HD PRO 97 2HD PRO 97 34.623 0.191 0.191 1734 2HD PRO 97 1HD PRO 97 34.812 0.747 0.747 1735 H ASP 98 HN ASP 98 39.155 -2.720 -2.720 1736 HA ASP 98 HA ASP 98 38.839 -4.725 -4.725 1737 1HB ASP 98 2HB ASP 98 41.341 -4.824 -4.824 1738 2HB ASP 98 1HB ASP 98 40.662 -4.800 -4.800 1739 H GLY 99 HN GLY 99 38.677 -4.761 -4.761 1740 1HA GLY 99 2HA GLY 99 38.808 -4.134 -4.134 1741 2HA GLY 99 1HA GLY 99 40.287 -3.290 -3.290 1742 H ALA 100 HN ALA 100 37.085 -2.626 -2.626 1743 HA ALA 100 HA ALA 100 37.300 0.152 0.152 1744 1HB ALA 100 2HB ALA 100 35.907 -0.881 -0.881 1745 2HB ALA 100 1HB ALA 100 34.783 -1.423 -1.423 1746 3HB ALA 100 3HB ALA 100 35.034 0.301 0.301 1747 H ALA 101 HN ALA 101 36.614 1.444 1.444 1748 HA ALA 101 HA ALA 101 36.287 0.487 0.487 1749 1HB ALA 101 2HB ALA 101 35.613 3.107 3.107 1750 2HB ALA 101 1HB ALA 101 35.252 2.803 2.803 1751 3HB ALA 101 3HB ALA 101 36.918 2.719 2.719 1752 H LYS 102 HN LYS 102 34.413 0.800 0.800 1753 HA LYS 102 HA LYS 102 32.056 -0.382 -0.382 1754 1HB LYS 102 2HB LYS 102 31.285 -0.685 -0.685 1755 2HB LYS 102 1HB LYS 102 32.828 -1.458 -1.458 1756 1HG LYS 102 2HG LYS 102 33.177 1.244 1.244 1757 2HG LYS 102 1HG LYS 102 32.249 0.251 0.251 1758 1HD LYS 102 2HD LYS 102 34.110 -1.510 -1.510 1759 2HD LYS 102 1HD LYS 102 35.044 -0.131 -0.131 1760 1HE LYS 102 2HE LYS 102 33.742 -0.329 -0.329 1761 2HE LYS 102 1HE LYS 102 35.449 -0.622 -0.622 1762 1HZ LYS 102 1HZ LYS 102 34.350 1.923 1.923 1763 2HZ LYS 102 3HZ LYS 102 34.531 1.724 1.724 1764 3HZ LYS 102 2HZ LYS 102 35.871 1.571 1.571 1765 H GLN 103 HN GLN 103 31.729 1.705 1.705 1766 HA GLN 103 HA GLN 103 29.512 3.046 3.046 1767 1HB GLN 103 2HB GLN 103 32.010 4.068 4.068 1768 2HB GLN 103 1HB GLN 103 31.225 5.285 5.285 1769 1HG GLN 103 2HG GLN 103 29.684 3.841 3.841 1770 2HG GLN 103 1HG GLN 103 30.727 5.199 5.199 1771 1HE2 GLN 103 2HE2 GLN 103 28.439 7.591 7.591 1772 2HE2 GLN 103 1HE2 GLN 103 29.891 7.162 7.162 1773 H PHE 104 HN PHE 104 28.517 4.204 4.204 1774 HA PHE 104 HA PHE 104 29.207 3.874 3.874 1775 1HB PHE 104 2HB PHE 104 26.969 4.547 4.547 1776 2HB PHE 104 1HB PHE 104 27.581 6.116 6.116 1777 HD1 PHE 104 1HD PHE 104 26.804 3.989 3.989 1778 HD2 PHE 104 2HD PHE 104 28.027 7.849 7.849 1779 HE1 PHE 104 1HE PHE 104 26.378 4.882 4.882 1780 HE2 PHE 104 2HE PHE 104 27.602 8.751 8.751 1781 HZ PHE 104 HZ PHE 104 26.776 7.267 7.267 1782 H ARG 105 HN ARG 105 30.368 4.980 4.980 1783 HA ARG 105 HA ARG 105 31.763 7.415 7.415 1784 1HB ARG 105 2HB ARG 105 32.917 4.954 4.954 1785 2HB ARG 105 1HB ARG 105 33.707 6.516 6.516 1786 1HG ARG 105 2HG ARG 105 32.995 5.431 5.431 1787 2HG ARG 105 1HG ARG 105 34.480 4.946 4.946 1788 1HD ARG 105 2HD ARG 105 35.466 6.799 6.799 1789 2HD ARG 105 1HD ARG 105 34.301 7.758 7.758 1790 HE ARG 105 HE ARG 105 33.040 7.043 7.043 1791 1HH1 ARG 105 1HH2 ARG 105 35.877 8.836 8.836 1792 2HH1 ARG 105 2HH2 ARG 105 35.819 9.888 9.888 1793 1HH2 ARG 105 1HH1 ARG 105 32.952 8.425 8.425 1794 2HH2 ARG 105 2HH1 ARG 105 34.156 9.655 9.655 1795 H ARG 106 HN ARG 106 32.250 8.930 8.930 1796 HA ARG 106 HA ARG 106 30.433 8.900 8.900 1797 1HB ARG 106 2HB ARG 106 30.837 10.965 10.965 1798 2HB ARG 106 1HB ARG 106 32.535 10.921 10.921 1799 1HG ARG 106 2HG ARG 106 31.038 10.779 10.779 1800 2HG ARG 106 1HG ARG 106 30.328 12.056 12.056 1801 1HD ARG 106 2HD ARG 106 33.077 12.406 12.406 1802 2HD ARG 106 1HD ARG 106 32.832 12.013 12.013 1803 HE ARG 106 HE ARG 106 30.955 13.954 13.954 1804 1HH1 ARG 106 1HH2 ARG 106 34.352 13.582 13.582 1805 2HH1 ARG 106 2HH2 ARG 106 34.572 15.233 15.233 1806 1HH2 ARG 106 1HH1 ARG 106 31.234 16.131 16.131 1807 2HH2 ARG 106 2HH1 ARG 106 32.800 16.682 16.682 1808 H GLU 107 HN GLU 107 33.863 8.457 8.457 1809 HA GLU 107 HA GLU 107 34.576 8.608 8.608 1810 1HB GLU 107 2HB GLU 107 35.940 8.454 8.454 1811 2HB GLU 107 1HB GLU 107 36.505 7.122 7.122 1812 1HG GLU 107 2HG GLU 107 36.703 8.993 8.993 1813 2HG GLU 107 1HG GLU 107 36.764 10.054 10.054 1814 H TRP 108 HN TRP 108 32.983 6.248 6.248 1815 HA TRP 108 HA TRP 108 34.089 3.879 3.879 1816 1HB TRP 108 2HB TRP 108 31.460 4.622 4.622 1817 2HB TRP 108 1HB TRP 108 31.634 3.043 3.043 1818 HD1 TRP 108 1HD TRP 108 34.907 3.698 3.698 1819 HE1 TRP 108 1HE TRP 108 35.213 2.630 2.630 1820 HE3 TRP 108 3HE TRP 108 30.010 2.713 2.713 1821 HZ2 TRP 108 2HZ TRP 108 33.596 1.517 1.517 1822 HZ3 TRP 108 3HZ TRP 108 29.476 1.644 1.644 1823 HH2 TRP 108 2HH TRP 108 31.232 1.059 1.059 1824 H PHE 109 HN PHE 109 32.176 6.291 6.291 1825 HA PHE 109 HA PHE 109 31.444 4.469 4.469 1826 1HB PHE 109 2HB PHE 109 30.390 7.161 7.161 1827 2HB PHE 109 1HB PHE 109 30.038 6.488 6.488 1828 HD1 PHE 109 1HD PHE 109 30.004 5.346 5.346 1829 HD2 PHE 109 2HD PHE 109 28.026 5.425 5.425 1830 HE1 PHE 109 1HE PHE 109 28.129 4.077 4.077 1831 HE2 PHE 109 2HE PHE 109 26.146 4.155 4.155 1832 HZ PHE 109 HZ PHE 109 26.197 3.480 3.480 1833 H GLN 110 HN GLN 110 34.143 5.551 5.551 1834 HA GLN 110 HA GLN 110 34.578 6.581 6.581 1835 1HB GLN 110 2HB GLN 110 35.313 8.112 8.112 1836 2HB GLN 110 1HB GLN 110 36.097 8.395 8.395 1837 1HG GLN 110 2HG GLN 110 33.809 8.832 8.832 1838 2HG GLN 110 1HG GLN 110 33.207 8.809 8.809 1839 1HE2 GLN 110 2HE2 GLN 110 34.690 11.890 11.890 1840 2HE2 GLN 110 1HE2 GLN 110 34.192 10.347 10.347 1841 H GLY 111 HN GLY 111 35.180 4.110 4.110 1842 1HA GLY 111 2HA GLY 111 38.133 4.235 4.235 1843 2HA GLY 111 1HA GLY 111 37.247 3.171 3.171 1844 H ASP 112 HN ASP 112 38.018 1.236 1.236 1845 HA ASP 112 HA ASP 112 37.977 0.624 0.624 1846 1HB ASP 112 2HB ASP 112 39.473 -0.279 -0.279 1847 2HB ASP 112 1HB ASP 112 38.498 -1.658 -1.658 1848 H GLY 113 HN GLY 113 36.613 -0.798 -0.798 1849 1HA GLY 113 2HA GLY 113 35.010 -2.617 -2.617 1850 2HA GLY 113 1HA GLY 113 34.445 -1.950 -1.950 1851 H MET 114 HN MET 114 32.453 -2.416 -2.416 1852 HA MET 114 HA MET 114 31.847 0.071 0.071 1853 1HB MET 114 2HB MET 114 31.267 -2.760 -2.760 1854 2HB MET 114 1HB MET 114 29.898 -1.681 -1.681 1855 1HG MET 114 2HG MET 114 30.937 -1.828 -1.828 1856 2HG MET 114 1HG MET 114 31.423 -0.265 -0.265 1857 1HE MET 114 2HE MET 114 32.085 -3.280 -3.280 1858 2HE MET 114 1HE MET 114 33.544 -2.646 -2.646 1859 3HE MET 114 3HE MET 114 33.666 -3.914 -3.914 1860 H VAL 115 HN VAL 115 29.825 1.058 1.058 1861 HA VAL 115 HA VAL 115 28.533 0.357 0.357 1862 HB VAL 115 HB VAL 115 28.271 2.982 2.982 1863 1HG1 VAL 115 3HG1 VAL 115 27.109 1.846 1.846 1864 2HG1 VAL 115 2HG1 VAL 115 28.056 3.273 3.273 1865 3HG1 VAL 115 1HG1 VAL 115 26.768 3.390 3.390 1866 1HG2 VAL 115 1HG2 VAL 115 30.309 2.145 2.145 1867 2HG2 VAL 115 3HG2 VAL 115 30.603 2.761 2.761 1868 3HG2 VAL 115 2HG2 VAL 115 29.946 3.827 3.827 1869 H ARG 116 HN ARG 116 26.470 -0.293 -0.293 1870 HA ARG 116 HA ARG 116 25.036 -0.434 -0.434 1871 1HB ARG 116 2HB ARG 116 24.525 -1.745 -1.745 1872 2HB ARG 116 1HB ARG 116 23.491 -1.944 -1.944 1873 1HG ARG 116 2HG ARG 116 25.541 -2.796 -2.796 1874 2HG ARG 116 1HG ARG 116 26.327 -2.858 -2.858 1875 1HD ARG 116 2HD ARG 116 25.077 -4.619 -4.619 1876 2HD ARG 116 1HD ARG 116 23.660 -4.120 -4.120 1877 HE ARG 116 HE ARG 116 25.671 -5.956 -5.956 1878 1HH1 ARG 116 1HH2 ARG 116 23.487 -3.510 -3.510 1879 2HH1 ARG 116 2HH2 ARG 116 23.385 -4.178 -4.178 1880 1HH2 ARG 116 1HH1 ARG 116 25.542 -6.848 -6.848 1881 2HH2 ARG 116 2HH1 ARG 116 24.552 -6.078 -6.078 1882 H ARG 117 HN ARG 117 23.204 0.653 0.653 1883 HA ARG 117 HA ARG 117 22.047 2.309 2.309 1884 1HB ARG 117 2HB ARG 117 23.304 3.720 3.720 1885 2HB ARG 117 1HB ARG 117 22.443 3.037 3.037 1886 1HG ARG 117 2HG ARG 117 20.412 4.073 4.073 1887 2HG ARG 117 1HG ARG 117 21.074 4.537 4.537 1888 1HD ARG 117 2HD ARG 117 22.445 5.500 5.500 1889 2HD ARG 117 1HD ARG 117 20.918 6.254 6.254 1890 HE ARG 117 HE ARG 117 22.521 6.198 6.198 1891 1HH1 ARG 117 1HH2 ARG 117 22.541 7.652 7.652 1892 2HH1 ARG 117 2HH2 ARG 117 23.435 9.048 9.048 1893 1HH2 ARG 117 1HH1 ARG 117 23.699 8.032 8.032 1894 2HH2 ARG 117 2HH1 ARG 117 24.093 9.264 9.264 1895 H LYS 118 HN LYS 118 20.036 1.754 1.754 1896 HA LYS 118 HA LYS 118 18.356 0.646 0.646 1897 1HB LYS 118 2HB LYS 118 18.761 -0.182 -0.182 1898 2HB LYS 118 1HB LYS 118 17.115 -0.259 -0.259 1899 1HG LYS 118 2HG LYS 118 18.957 -1.408 -1.408 1900 2HG LYS 118 1HG LYS 118 19.125 -2.163 -2.163 1901 1HD LYS 118 2HD LYS 118 16.350 -1.740 -1.740 1902 2HD LYS 118 1HD LYS 118 17.252 -2.825 -2.825 1903 1HE LYS 118 2HE LYS 118 18.004 -3.714 -3.714 1904 2HE LYS 118 1HE LYS 118 16.344 -3.202 -3.202 1905 1HZ LYS 118 1HZ LYS 118 16.397 -4.627 -4.627 1906 2HZ LYS 118 3HZ LYS 118 17.231 -5.539 -5.539 1907 3HZ LYS 118 2HZ LYS 118 15.639 -5.052 -5.052 1908 H ASN 119 HN ASN 119 16.023 0.998 0.998 1909 HA ASN 119 HA ASN 119 15.350 3.392 3.392 1910 1HB ASN 119 2HB ASN 119 13.999 4.117 4.117 1911 2HB ASN 119 1HB ASN 119 15.717 4.491 4.491 1912 1HD2 ASN 119 2HD2 ASN 119 16.363 2.982 2.982 1913 2HD2 ASN 119 1HD2 ASN 119 16.663 4.242 4.242 1914 H LEU 120 HN LEU 120 13.241 3.506 3.506 1915 HA LEU 120 HA LEU 120 11.503 1.241 1.241 1916 1HB LEU 120 2HB LEU 120 11.418 2.517 2.517 1917 2HB LEU 120 1HB LEU 120 10.841 0.936 0.936 1918 HG LEU 120 HG LEU 120 13.670 1.796 1.796 1919 1HD1 LEU 120 2HD1 LEU 120 11.891 -0.384 -0.384 1920 2HD1 LEU 120 1HD1 LEU 120 13.598 -0.189 -0.189 1921 3HD1 LEU 120 3HD1 LEU 120 12.438 1.063 1.063 1922 1HD2 LEU 120 2HD2 LEU 120 12.791 -0.060 -0.060 1923 2HD2 LEU 120 1HD2 LEU 120 14.433 0.399 0.399 1924 3HD2 LEU 120 3HD2 LEU 120 13.628 -0.926 -0.926 1925 HA PRO 121 HA PRO 121 9.056 4.847 4.847 1926 1HB PRO 121 2HB PRO 121 7.183 2.645 2.645 1927 2HB PRO 121 1HB PRO 121 7.748 3.995 3.995 1928 1HG PRO 121 2HG PRO 121 8.667 1.528 1.528 1929 2HG PRO 121 1HG PRO 121 9.737 2.936 2.936 1930 1HD PRO 121 2HD PRO 121 9.496 0.942 0.942 1931 2HD PRO 121 1HD PRO 121 10.947 1.723 1.723 1932 H ILE 122 HN ILE 122 7.523 5.959 5.959 1933 HA ILE 122 HA ILE 122 6.041 4.542 4.542 1934 HB ILE 122 HB ILE 122 6.611 7.497 7.497 1935 1HG1 ILE 122 2HG1 ILE 122 8.758 6.293 6.293 1936 2HG1 ILE 122 1HG1 ILE 122 8.504 7.061 7.061 1937 1HG2 ILE 122 1HG2 ILE 122 5.515 5.513 5.513 1938 2HG2 ILE 122 3HG2 ILE 122 6.399 6.909 6.909 1939 3HG2 ILE 122 2HG2 ILE 122 4.963 7.145 7.145 1940 1HD1 ILE 122 3HD1 ILE 122 8.014 4.154 4.154 1941 2HD1 ILE 122 2HD1 ILE 122 9.458 4.807 4.807 1942 3HD1 ILE 122 1HD1 ILE 122 7.893 4.945 4.945 1943 H GLU 123 HN GLU 123 4.064 4.138 4.138 1944 HA GLU 123 HA GLU 123 2.708 6.184 6.184 1945 1HB GLU 123 2HB GLU 123 2.101 3.274 3.274 1946 2HB GLU 123 1HB GLU 123 0.999 4.340 4.340 1947 1HG GLU 123 2HG GLU 123 3.363 4.742 4.742 1948 2HG GLU 123 1HG GLU 123 3.435 3.029 3.029 1949 H TYR 124 HN TYR 124 1.412 7.571 7.571 1950 HA TYR 124 HA TYR 124 0.475 7.091 7.091 1951 1HB TYR 124 2HB TYR 124 0.207 9.414 9.414 1952 2HB TYR 124 1HB TYR 124 -0.596 9.385 9.385 1953 HD1 TYR 124 1HD TYR 124 2.825 8.747 8.747 1954 HD2 TYR 124 2HD TYR 124 0.480 10.486 10.486 1955 HE1 TYR 124 1HE TYR 124 4.869 9.612 9.612 1956 HE2 TYR 124 2HE TYR 124 2.518 11.358 11.358 1957 HH TYR 124 HH TYR 124 5.403 10.313 10.313 1958 H ASN 125 HN ASN 125 -1.091 5.561 5.561 1959 HA ASN 125 HA ASN 125 -3.182 5.388 5.388 1960 1HB ASN 125 2HB ASN 125 -2.215 3.821 3.821 1961 2HB ASN 125 1HB ASN 125 -3.957 4.025 4.025 1962 1HD2 ASN 125 2HD2 ASN 125 -3.822 1.062 1.062 1963 2HD2 ASN 125 1HD2 ASN 125 -3.760 1.641 1.641 1964 H LEU 126 HN LEU 126 -4.070 7.517 7.517 1965 HA LEU 126 HA LEU 126 -5.177 8.677 8.677 1966 1HB LEU 126 2HB LEU 126 -5.578 9.158 9.158 1967 2HB LEU 126 1HB LEU 126 -6.506 10.035 10.035 1968 HG LEU 126 HG LEU 126 -3.502 10.071 10.071 1969 1HD1 LEU 126 2HD1 LEU 126 -5.670 12.031 12.031 1970 2HD1 LEU 126 1HD1 LEU 126 -3.991 12.518 12.518 1971 3HD1 LEU 126 3HD1 LEU 126 -4.413 11.371 11.371 1972 1HD2 LEU 126 2HD2 LEU 126 -5.336 11.374 11.374 1973 2HD2 LEU 126 1HD2 LEU 126 -3.988 10.281 10.281 1974 3HD2 LEU 126 3HD2 LEU 126 -3.680 11.907 11.907 Start of MODEL 4 1 1H ALA 1 2HN ALA 1 -43.391 3.611 3.611 2 2H ALA 1 1HN ALA 1 -44.878 4.096 4.096 3 3H ALA 1 3HN ALA 1 -43.546 5.175 5.175 4 HA ALA 1 HA ALA 1 -43.841 4.240 4.240 5 1HB ALA 1 2HB ALA 1 -44.716 2.029 2.029 6 2HB ALA 1 1HB ALA 1 -43.067 1.531 1.531 7 3HB ALA 1 3HB ALA 1 -44.154 2.045 2.045 8 H GLN 2 HN GLN 2 -41.995 5.615 5.615 9 HA GLN 2 HA GLN 2 -39.531 4.178 4.178 10 1HB GLN 2 2HB GLN 2 -38.238 5.551 5.551 11 2HB GLN 2 1HB GLN 2 -39.385 4.465 4.465 12 1HG GLN 2 2HG GLN 2 -40.923 6.637 6.637 13 2HG GLN 2 1HG GLN 2 -39.342 7.416 7.416 14 1HE2 GLN 2 2HE2 GLN 2 -40.553 5.177 5.177 15 2HE2 GLN 2 1HE2 GLN 2 -41.060 4.760 4.760 16 H SER 3 HN SER 3 -37.878 5.474 5.474 17 HA SER 3 HA SER 3 -39.001 7.806 7.806 18 1HB SER 3 2HB SER 3 -38.141 5.895 5.895 19 2HB SER 3 1HB SER 3 -36.532 6.211 6.211 20 HG SER 3 HG SER 3 -36.413 7.511 7.511 21 H VAL 4 HN VAL 4 -35.880 6.735 6.735 22 HA VAL 4 HA VAL 4 -35.465 9.031 9.031 23 HB VAL 4 HB VAL 4 -35.235 10.246 10.246 24 1HG1 VAL 4 3HG1 VAL 4 -33.219 8.126 8.126 25 2HG1 VAL 4 2HG1 VAL 4 -33.366 9.660 9.660 26 3HG1 VAL 4 1HG1 VAL 4 -34.715 8.524 8.524 27 1HG2 VAL 4 1HG2 VAL 4 -32.647 9.747 9.747 28 2HG2 VAL 4 3HG2 VAL 4 -33.804 11.055 11.055 29 3HG2 VAL 4 2HG2 VAL 4 -32.834 11.004 11.004 30 HA PRO 5 HA PRO 5 -32.550 6.263 6.263 31 1HB PRO 5 2HB PRO 5 -31.016 8.740 8.740 32 2HB PRO 5 1HB PRO 5 -31.551 7.450 7.450 33 1HG PRO 5 2HG PRO 5 -32.795 9.803 9.803 34 2HG PRO 5 1HG PRO 5 -33.706 8.292 8.292 35 1HD PRO 5 2HD PRO 5 -33.419 10.064 10.064 36 2HD PRO 5 1HD PRO 5 -34.823 9.129 9.129 37 HA PRO 6 HA PRO 6 -29.373 5.814 5.814 38 1HB PRO 6 2HB PRO 6 -27.755 4.063 4.063 39 2HB PRO 6 1HB PRO 6 -29.320 3.595 3.595 40 1HG PRO 6 2HG PRO 6 -28.599 4.262 4.262 41 2HG PRO 6 1HG PRO 6 -29.616 2.945 2.945 42 1HD PRO 6 2HD PRO 6 -30.642 5.236 5.236 43 2HD PRO 6 1HD PRO 6 -31.452 4.312 4.312 44 H GLY 7 HN GLY 7 -28.219 7.674 7.674 45 1HA GLY 7 2HA GLY 7 -26.727 8.970 8.970 46 2HA GLY 7 1HA GLY 7 -26.504 9.179 9.179 47 H ASP 8 HN ASP 8 -24.793 8.634 8.634 48 HA ASP 8 HA ASP 8 -23.342 6.294 6.294 49 1HB ASP 8 2HB ASP 8 -22.246 8.943 8.943 50 2HB ASP 8 1HB ASP 8 -21.592 7.345 7.345 51 H ILE 9 HN ILE 9 -21.898 5.606 5.606 52 HA ILE 9 HA ILE 9 -21.148 7.387 7.387 53 HB ILE 9 HB ILE 9 -20.224 5.339 5.339 54 1HG1 ILE 9 2HG1 ILE 9 -21.559 3.476 3.476 55 2HG1 ILE 9 1HG1 ILE 9 -20.257 4.346 4.346 56 1HG2 ILE 9 2HG2 ILE 9 -22.917 6.033 6.033 57 2HG2 ILE 9 1HG2 ILE 9 -22.822 4.274 4.274 58 3HG2 ILE 9 3HG2 ILE 9 -22.239 5.125 5.125 59 1HD1 ILE 9 2HD1 ILE 9 -19.560 3.312 3.312 60 2HD1 ILE 9 1HD1 ILE 9 -19.950 2.078 2.078 61 3HD1 ILE 9 3HD1 ILE 9 -18.671 3.248 3.248 62 H ASN 10 HN ASN 10 -19.108 8.051 8.051 63 HA ASN 10 HA ASN 10 -17.171 7.990 7.990 64 1HB ASN 10 2HB ASN 10 -17.672 9.590 9.590 65 2HB ASN 10 1HB ASN 10 -16.063 8.908 8.908 66 1HD2 ASN 10 2HD2 ASN 10 -16.665 11.111 11.111 67 2HD2 ASN 10 1HD2 ASN 10 -17.868 9.998 9.998 68 H THR 11 HN THR 11 -15.080 7.086 7.086 69 HA THR 11 HA THR 11 -14.485 5.185 5.185 70 HB THR 11 HB THR 11 -13.822 3.568 3.568 71 HG1 THR 11 1HG THR 11 -15.416 3.716 3.716 72 1HG2 THR 11 1HG2 THR 11 -15.582 3.263 3.263 73 2HG2 THR 11 3HG2 THR 11 -16.741 3.686 3.686 74 3HG2 THR 11 2HG2 THR 11 -15.692 2.283 2.283 75 H GLN 12 HN GLN 12 -12.302 4.607 4.607 76 HA GLN 12 HA GLN 12 -10.415 5.862 5.862 77 1HB GLN 12 2HB GLN 12 -10.600 6.452 6.452 78 2HB GLN 12 1HB GLN 12 -9.111 6.690 6.690 79 1HG GLN 12 2HG GLN 12 -11.506 7.910 7.910 80 2HG GLN 12 1HG GLN 12 -10.999 8.581 8.581 81 1HE2 GLN 12 2HE2 GLN 12 -8.666 10.592 10.592 82 2HE2 GLN 12 1HE2 GLN 12 -9.882 10.359 10.359 83 HA PRO 13 HA PRO 13 -8.851 5.111 5.111 84 1HB PRO 13 2HB PRO 13 -8.871 2.869 2.869 85 2HB PRO 13 1HB PRO 13 -7.419 3.545 3.545 86 1HG PRO 13 2HG PRO 13 -9.133 1.267 1.267 87 2HG PRO 13 1HG PRO 13 -7.364 1.402 1.402 88 1HD PRO 13 2HD PRO 13 -8.769 1.741 1.741 89 2HD PRO 13 1HD PRO 13 -7.320 2.709 2.709 90 H SER 14 HN SER 14 -10.262 5.508 5.508 91 HA SER 14 HA SER 14 -12.993 5.281 5.281 92 1HB SER 14 2HB SER 14 -11.518 5.925 5.925 93 2HB SER 14 1HB SER 14 -13.274 5.997 5.997 94 HG SER 14 HG SER 14 -12.282 8.028 8.028 95 H GLN 15 HN GLN 15 -11.048 3.555 3.555 96 HA GLN 15 HA GLN 15 -12.606 1.166 1.166 97 1HB GLN 15 2HB GLN 15 -13.442 3.031 3.031 98 2HB GLN 15 1HB GLN 15 -12.724 1.671 1.671 99 1HG GLN 15 2HG GLN 15 -14.207 0.161 0.161 100 2HG GLN 15 1HG GLN 15 -15.004 1.599 1.599 101 1HE2 GLN 15 2HE2 GLN 15 -15.581 0.455 0.455 102 2HE2 GLN 15 1HE2 GLN 15 -14.215 -0.106 -0.106 103 H LYS 16 HN LYS 16 -9.880 1.757 1.757 104 HA LYS 16 HA LYS 16 -8.733 -0.309 -0.309 105 1HB LYS 16 2HB LYS 16 -6.864 1.239 1.239 106 2HB LYS 16 1HB LYS 16 -8.408 1.287 1.287 107 1HG LYS 16 2HG LYS 16 -8.837 3.230 3.230 108 2HG LYS 16 1HG LYS 16 -7.080 3.340 3.340 109 1HD LYS 16 2HD LYS 16 -7.277 3.547 3.547 110 2HD LYS 16 1HD LYS 16 -9.033 3.450 3.450 111 1HE LYS 16 2HE LYS 16 -8.926 5.693 5.693 112 2HE LYS 16 1HE LYS 16 -8.488 5.456 5.456 113 1HZ LYS 16 1HZ LYS 16 -6.493 5.622 5.622 114 2HZ LYS 16 3HZ LYS 16 -6.991 6.962 6.962 115 3HZ LYS 16 2HZ LYS 16 -6.202 5.673 5.673 116 H ILE 17 HN ILE 17 -7.712 -1.398 -1.398 117 HA ILE 17 HA ILE 17 -5.921 0.081 0.081 118 HB ILE 17 HB ILE 17 -7.889 -0.562 -0.562 119 1HG1 ILE 17 2HG1 ILE 17 -5.663 -2.462 -2.462 120 2HG1 ILE 17 1HG1 ILE 17 -5.525 -0.720 -0.720 121 1HG2 ILE 17 1HG2 ILE 17 -7.748 -2.910 -2.910 122 2HG2 ILE 17 3HG2 ILE 17 -7.641 -3.383 -3.383 123 3HG2 ILE 17 2HG2 ILE 17 -9.007 -2.419 -2.419 124 1HD1 ILE 17 1HD1 ILE 17 -7.941 -1.940 -1.940 125 2HD1 ILE 17 3HD1 ILE 17 -6.418 -2.420 -2.420 126 3HD1 ILE 17 2HD1 ILE 17 -6.861 -0.715 -0.715 127 H VAL 18 HN VAL 18 -3.913 -0.739 -0.739 128 HA VAL 18 HA VAL 18 -3.406 -3.443 -3.443 129 HB VAL 18 HB VAL 18 -2.705 -1.909 -1.909 130 1HG1 VAL 18 1HG1 VAL 18 -2.404 -0.001 -0.001 131 2HG1 VAL 18 3HG1 VAL 18 -0.758 -0.612 -0.612 132 3HG1 VAL 18 2HG1 VAL 18 -1.339 -0.052 -0.052 133 1HG2 VAL 18 3HG2 VAL 18 -1.215 -3.905 -3.905 134 2HG2 VAL 18 2HG2 VAL 18 -0.643 -2.829 -2.829 135 3HG2 VAL 18 1HG2 VAL 18 -0.093 -2.601 -2.601 136 H PHE 19 HN PHE 19 -2.751 -4.610 -4.610 137 HA PHE 19 HA PHE 19 -1.679 -3.611 -3.611 138 1HB PHE 19 2HB PHE 19 -1.395 -6.356 -6.356 139 2HB PHE 19 1HB PHE 19 -0.935 -5.964 -5.964 140 HD1 PHE 19 2HD PHE 19 -3.211 -4.146 -4.146 141 HD2 PHE 19 1HD PHE 19 -3.115 -7.903 -7.903 142 HE1 PHE 19 2HE PHE 19 -5.511 -4.598 -4.598 143 HE2 PHE 19 1HE PHE 19 -5.415 -8.363 -8.363 144 HZ PHE 19 HZ PHE 19 -6.615 -6.709 -6.709 145 H ASN 20 HN ASN 20 0.501 -3.738 -3.738 146 HA ASN 20 HA ASN 20 2.520 -3.538 -3.538 147 1HB ASN 20 2HB ASN 20 1.846 -1.472 -1.472 148 2HB ASN 20 1HB ASN 20 2.911 -2.230 -2.230 149 1HD2 ASN 20 2HD2 ASN 20 5.856 -1.324 -1.324 150 2HD2 ASN 20 1HD2 ASN 20 5.085 -2.191 -2.191 151 H ALA 21 HN ALA 21 3.988 -5.086 -5.086 152 HA ALA 21 HA ALA 21 4.201 -7.163 -7.163 153 1HB ALA 21 3HB ALA 21 5.508 -6.383 -6.383 154 2HB ALA 21 2HB ALA 21 6.786 -6.586 -6.586 155 3HB ALA 21 1HB ALA 21 5.679 -7.916 -7.916 156 HA PRO 22 HA PRO 22 6.556 -8.385 -8.385 157 1HB PRO 22 2HB PRO 22 7.173 -9.721 -9.721 158 2HB PRO 22 1HB PRO 22 8.354 -8.729 -8.729 159 1HG PRO 22 2HG PRO 22 6.732 -8.059 -8.059 160 2HG PRO 22 1HG PRO 22 8.449 -7.749 -7.749 161 1HD PRO 22 2HD PRO 22 6.536 -5.846 -5.846 162 2HD PRO 22 1HD PRO 22 8.006 -5.888 -5.888 163 H TYR 23 HN TYR 23 5.479 -10.442 -10.442 164 HA TYR 23 HA TYR 23 2.875 -10.160 -10.160 165 1HB TYR 23 2HB TYR 23 3.611 -11.818 -11.818 166 2HB TYR 23 1HB TYR 23 2.016 -11.762 -11.762 167 HD1 TYR 23 2HD TYR 23 1.709 -8.906 -8.906 168 HD2 TYR 23 1HD TYR 23 3.331 -10.849 -10.849 169 HE1 TYR 23 2HE TYR 23 1.128 -6.957 -6.957 170 HE2 TYR 23 1HE TYR 23 2.755 -8.903 -8.903 171 HH TYR 23 HH TYR 23 2.062 -5.950 -5.950 172 H ASP 24 HN ASP 24 5.226 -11.056 -11.056 173 HA ASP 24 HA ASP 24 4.649 -13.908 -13.908 174 1HB ASP 24 2HB ASP 24 7.079 -12.444 -12.444 175 2HB ASP 24 1HB ASP 24 6.855 -14.180 -14.180 176 H ASP 25 HN ASP 25 3.673 -11.076 -11.076 177 HA ASP 25 HA ASP 25 3.237 -12.252 -12.252 178 1HB ASP 25 2HB ASP 25 4.891 -9.865 -9.865 179 2HB ASP 25 1HB ASP 25 3.711 -9.684 -9.684 180 H LYS 26 HN LYS 26 1.224 -11.911 -11.911 181 HA LYS 26 HA LYS 26 -0.787 -10.900 -10.900 182 1HB LYS 26 2HB LYS 26 -2.099 -10.721 -10.721 183 2HB LYS 26 1HB LYS 26 -1.440 -12.299 -12.299 184 1HG LYS 26 2HG LYS 26 0.178 -12.201 -12.201 185 2HG LYS 26 1HG LYS 26 0.101 -10.441 -10.441 186 1HD LYS 26 2HD LYS 26 -0.920 -11.584 -11.584 187 2HD LYS 26 1HD LYS 26 -2.057 -10.556 -10.556 188 1HE LYS 26 2HE LYS 26 -3.176 -12.599 -12.599 189 2HE LYS 26 1HE LYS 26 -2.838 -12.596 -12.596 190 1HZ LYS 26 3HZ LYS 26 -0.768 -13.797 -13.797 191 2HZ LYS 26 2HZ LYS 26 -2.247 -14.614 -14.614 192 3HZ LYS 26 1HZ LYS 26 -1.492 -14.354 -14.354 193 H HIS 27 HN HIS 27 -1.329 -8.926 -8.926 194 HA HIS 27 HA HIS 27 -0.518 -6.649 -6.649 195 1HB HIS 27 2HB HIS 27 -0.608 -6.917 -6.917 196 2HB HIS 27 1HB HIS 27 -0.552 -5.350 -5.350 197 HD1 HIS 27 1HD HIS 27 1.590 -5.603 -5.603 198 HD2 HIS 27 2HD HIS 27 1.858 -7.459 -7.459 199 HE1 HIS 27 1HE HIS 27 4.049 -6.032 -6.032 200 H THR 28 HN THR 28 -1.954 -4.878 -4.878 201 HA THR 28 HA THR 28 -4.706 -5.466 -5.466 202 HB THR 28 HB THR 28 -4.010 -3.996 -3.996 203 HG1 THR 28 1HG THR 28 -3.239 -6.018 -6.018 204 1HG2 THR 28 1HG2 THR 28 -6.402 -4.172 -4.172 205 2HG2 THR 28 3HG2 THR 28 -6.479 -5.548 -5.548 206 3HG2 THR 28 2HG2 THR 28 -6.189 -3.928 -3.928 207 H TYR 29 HN TYR 29 -5.192 -4.083 -4.083 208 HA TYR 29 HA TYR 29 -4.159 -1.344 -1.344 209 1HB TYR 29 2HB TYR 29 -5.622 -2.705 -2.705 210 2HB TYR 29 1HB TYR 29 -4.761 -1.172 -1.172 211 HD1 TYR 29 1HD TYR 29 -4.225 -4.802 -4.802 212 HD2 TYR 29 2HD TYR 29 -2.522 -1.123 -1.123 213 HE1 TYR 29 1HE TYR 29 -2.174 -5.989 -5.989 214 HE2 TYR 29 2HE TYR 29 -0.466 -2.300 -2.300 215 HH TYR 29 HH TYR 29 0.687 -4.566 -4.566 216 H HIS 30 HN HIS 30 -5.408 0.147 0.147 217 HA HIS 30 HA HIS 30 -8.220 -0.318 -0.318 218 1HB HIS 30 2HB HIS 30 -6.277 1.810 1.810 219 2HB HIS 30 1HB HIS 30 -8.007 2.105 2.105 220 HD1 HIS 30 1HD HIS 30 -7.339 2.203 2.203 221 HD2 HIS 30 2HD HIS 30 -7.185 -1.508 -1.508 222 HE1 HIS 30 1HE HIS 30 -7.346 0.481 0.481 223 H ILE 31 HN ILE 31 -9.876 0.443 0.443 224 HA ILE 31 HA ILE 31 -9.303 2.344 2.344 225 HB ILE 31 HB ILE 31 -11.695 0.518 0.518 226 1HG1 ILE 31 2HG1 ILE 31 -9.029 -0.026 -0.026 227 2HG1 ILE 31 1HG1 ILE 31 -9.653 -0.861 -0.861 228 1HG2 ILE 31 1HG2 ILE 31 -11.526 2.583 2.583 229 2HG2 ILE 31 3HG2 ILE 31 -10.359 1.632 1.632 230 3HG2 ILE 31 2HG2 ILE 31 -12.012 1.050 1.050 231 1HD1 ILE 31 1HD1 ILE 31 -11.342 -0.864 -0.864 232 2HD1 ILE 31 3HD1 ILE 31 -9.875 -1.844 -1.844 233 3HD1 ILE 31 2HD1 ILE 31 -11.101 -2.115 -2.115 234 H LYS 32 HN LYS 32 -10.631 4.128 4.128 235 HA LYS 32 HA LYS 32 -12.302 4.785 4.785 236 1HB LYS 32 2HB LYS 32 -10.335 6.234 6.234 237 2HB LYS 32 1HB LYS 32 -11.768 6.891 6.891 238 1HG LYS 32 2HG LYS 32 -12.354 8.031 8.031 239 2HG LYS 32 1HG LYS 32 -12.095 6.641 6.641 240 1HD LYS 32 2HD LYS 32 -9.591 7.707 7.707 241 2HD LYS 32 1HD LYS 32 -10.536 8.942 8.942 242 1HE LYS 32 2HE LYS 32 -10.794 7.385 7.385 243 2HE LYS 32 1HE LYS 32 -9.735 6.244 6.244 244 1HZ LYS 32 1HZ LYS 32 -8.150 8.300 8.300 245 2HZ LYS 32 3HZ LYS 32 -9.079 8.808 8.808 246 3HZ LYS 32 2HZ LYS 32 -8.253 7.333 7.333 247 H ILE 33 HN ILE 33 -14.431 5.052 5.052 248 HA ILE 33 HA ILE 33 -15.676 5.182 5.182 249 HB ILE 33 HB ILE 33 -16.776 3.685 3.685 250 1HG1 ILE 33 2HG1 ILE 33 -15.661 2.581 2.581 251 2HG1 ILE 33 1HG1 ILE 33 -14.787 2.601 2.601 252 1HG2 ILE 33 1HG2 ILE 33 -17.773 4.064 4.064 253 2HG2 ILE 33 3HG2 ILE 33 -18.392 2.825 2.825 254 3HG2 ILE 33 2HG2 ILE 33 -18.567 4.531 4.531 255 1HD1 ILE 33 3HD1 ILE 33 -16.822 1.302 1.302 256 2HD1 ILE 33 2HD1 ILE 33 -17.165 0.984 0.984 257 3HD1 ILE 33 1HD1 ILE 33 -15.636 0.459 0.459 258 H THR 34 HN THR 34 -17.712 6.292 6.292 259 HA THR 34 HA THR 34 -18.574 7.774 7.774 260 HB THR 34 HB THR 34 -17.438 9.159 9.159 261 HG1 THR 34 1HG THR 34 -15.908 9.840 9.840 262 1HG2 THR 34 3HG2 THR 34 -19.512 10.274 10.274 263 2HG2 THR 34 2HG2 THR 34 -18.810 10.451 10.451 264 3HG2 THR 34 1HG2 THR 34 -18.069 11.261 11.261 265 H ASN 35 HN ASN 35 -20.574 8.898 8.898 266 HA ASN 35 HA ASN 35 -22.167 7.735 7.735 267 1HB ASN 35 2HB ASN 35 -22.825 7.262 7.262 268 2HB ASN 35 1HB ASN 35 -23.199 8.975 8.975 269 1HD2 ASN 35 2HD2 ASN 35 -26.427 7.704 7.704 270 2HD2 ASN 35 1HD2 ASN 35 -25.321 7.994 7.994 271 H ALA 36 HN ALA 36 -22.339 9.091 9.091 272 HA ALA 36 HA ALA 36 -22.417 11.973 11.973 273 1HB ALA 36 2HB ALA 36 -21.027 10.652 10.652 274 2HB ALA 36 1HB ALA 36 -22.520 10.826 10.826 275 3HB ALA 36 3HB ALA 36 -21.680 12.257 12.257 276 H GLY 37 HN GLY 37 -24.682 10.026 10.026 277 1HA GLY 37 2HA GLY 37 -26.683 11.133 11.133 278 2HA GLY 37 1HA GLY 37 -26.891 9.680 9.680 279 H GLY 38 HN GLY 38 -28.783 10.301 10.301 280 1HA GLY 38 2HA GLY 38 -28.499 12.526 12.526 281 2HA GLY 38 1HA GLY 38 -29.970 12.312 12.312 282 H ARG 39 HN ARG 39 -30.130 9.485 9.485 283 HA ARG 39 HA ARG 39 -30.909 9.227 9.227 284 1HB ARG 39 2HB ARG 39 -31.793 7.521 7.521 285 2HB ARG 39 1HB ARG 39 -32.478 7.541 7.541 286 1HG ARG 39 2HG ARG 39 -32.475 10.028 10.028 287 2HG ARG 39 1HG ARG 39 -33.690 8.778 8.778 288 1HD ARG 39 2HD ARG 39 -33.129 10.064 10.064 289 2HD ARG 39 1HD ARG 39 -34.409 10.573 10.573 290 HE ARG 39 HE ARG 39 -34.659 7.818 7.818 291 1HH1 ARG 39 1HH2 ARG 39 -35.040 10.896 10.896 292 2HH1 ARG 39 2HH2 ARG 39 -36.257 10.330 10.330 293 1HH2 ARG 39 1HH1 ARG 39 -36.261 7.060 7.060 294 2HH2 ARG 39 2HH1 ARG 39 -36.951 8.149 8.149 295 H ARG 40 HN ARG 40 -30.646 7.119 7.119 296 HA ARG 40 HA ARG 40 -28.044 6.194 6.194 297 1HB ARG 40 2HB ARG 40 -30.569 4.762 4.762 298 2HB ARG 40 1HB ARG 40 -28.945 4.189 4.189 299 1HG ARG 40 2HG ARG 40 -28.692 5.624 5.624 300 2HG ARG 40 1HG ARG 40 -29.402 6.962 6.962 301 1HD ARG 40 2HD ARG 40 -30.947 4.745 4.745 302 2HD ARG 40 1HD ARG 40 -30.721 6.367 6.367 303 HE ARG 40 HE ARG 40 -32.526 5.572 5.572 304 1HH1 ARG 40 1HH2 ARG 40 -30.783 8.210 8.210 305 2HH1 ARG 40 2HH2 ARG 40 -31.857 9.427 9.427 306 1HH2 ARG 40 1HH1 ARG 40 -33.948 7.164 7.164 307 2HH2 ARG 40 2HH1 ARG 40 -33.656 8.831 8.831 308 H ILE 41 HN ILE 41 -27.173 4.090 4.090 309 HA ILE 41 HA ILE 41 -28.550 2.707 2.707 310 HB ILE 41 HB ILE 41 -26.471 2.844 2.844 311 1HG1 ILE 41 2HG1 ILE 41 -25.864 5.433 5.433 312 2HG1 ILE 41 1HG1 ILE 41 -25.239 3.950 3.950 313 1HG2 ILE 41 3HG2 ILE 41 -28.642 4.070 4.070 314 2HG2 ILE 41 2HG2 ILE 41 -27.876 5.477 5.477 315 3HG2 ILE 41 1HG2 ILE 41 -27.219 4.796 4.796 316 1HD1 ILE 41 2HD1 ILE 41 -24.783 4.718 4.718 317 2HD1 ILE 41 1HD1 ILE 41 -23.684 5.139 5.139 318 3HD1 ILE 41 3HD1 ILE 41 -23.983 3.445 3.445 319 H GLY 42 HN GLY 42 -28.378 0.622 0.622 320 1HA GLY 42 2HA GLY 42 -26.253 -0.354 -0.354 321 2HA GLY 42 1HA GLY 42 -27.594 -1.294 -1.294 322 H TRP 43 HN TRP 43 -24.321 -0.903 -0.903 323 HA TRP 43 HA TRP 43 -24.167 -1.953 -1.953 324 1HB TRP 43 2HB TRP 43 -21.790 -1.172 -1.172 325 2HB TRP 43 1HB TRP 43 -22.973 0.126 0.126 326 HD1 TRP 43 1HD TRP 43 -23.356 1.124 1.124 327 HE1 TRP 43 1HE TRP 43 -21.628 1.437 1.437 328 HE3 TRP 43 3HE TRP 43 -19.725 -2.052 -2.052 329 HZ2 TRP 43 2HZ TRP 43 -19.064 0.469 0.469 330 HZ3 TRP 43 3HZ TRP 43 -17.665 -2.301 -2.301 331 HH2 TRP 43 2HH TRP 43 -17.343 -1.066 -1.066 332 H ALA 44 HN ALA 44 -22.636 -3.603 -3.603 333 HA ALA 44 HA ALA 44 -21.590 -5.108 -5.108 334 1HB ALA 44 1HB ALA 44 -23.869 -5.901 -5.901 335 2HB ALA 44 3HB ALA 44 -22.558 -7.066 -7.066 336 3HB ALA 44 2HB ALA 44 -23.170 -6.668 -6.668 337 H ILE 45 HN ILE 45 -19.936 -6.645 -6.645 338 HA ILE 45 HA ILE 45 -18.694 -5.990 -5.990 339 HB ILE 45 HB ILE 45 -17.204 -6.845 -6.845 340 1HG1 ILE 45 2HG1 ILE 45 -16.501 -4.369 -4.369 341 2HG1 ILE 45 1HG1 ILE 45 -17.916 -4.097 -4.097 342 1HG2 ILE 45 3HG2 ILE 45 -16.402 -5.823 -5.823 343 2HG2 ILE 45 2HG2 ILE 45 -15.318 -5.726 -5.726 344 3HG2 ILE 45 1HG2 ILE 45 -15.889 -7.296 -7.296 345 1HD1 ILE 45 2HD1 ILE 45 -18.643 -5.649 -5.649 346 2HD1 ILE 45 1HD1 ILE 45 -17.794 -4.185 -4.185 347 3HD1 ILE 45 3HD1 ILE 45 -19.231 -4.068 -4.068 348 H LYS 46 HN LYS 46 -17.686 -7.614 -7.614 349 HA LYS 46 HA LYS 46 -17.828 -10.354 -10.354 350 1HB LYS 46 2HB LYS 46 -19.160 -9.434 -9.434 351 2HB LYS 46 1HB LYS 46 -18.897 -11.117 -11.117 352 1HG LYS 46 2HG LYS 46 -20.394 -10.973 -10.973 353 2HG LYS 46 1HG LYS 46 -20.477 -9.214 -9.214 354 1HD LYS 46 2HD LYS 46 -22.453 -9.873 -9.873 355 2HD LYS 46 1HD LYS 46 -21.372 -9.679 -9.679 356 1HE LYS 46 2HE LYS 46 -20.880 -12.157 -12.157 357 2HE LYS 46 1HE LYS 46 -22.242 -12.228 -12.228 358 1HZ LYS 46 2HZ LYS 46 -22.444 -11.197 -11.197 359 2HZ LYS 46 1HZ LYS 46 -22.797 -12.792 -12.792 360 3HZ LYS 46 3HZ LYS 46 -23.716 -11.519 -11.519 361 H THR 47 HN THR 47 -16.093 -11.506 -11.506 362 HA THR 47 HA THR 47 -14.371 -10.361 -10.361 363 HB THR 47 HB THR 47 -12.475 -11.380 -11.380 364 HG1 THR 47 1HG THR 47 -13.313 -13.149 -13.149 365 1HG2 THR 47 3HG2 THR 47 -13.775 -9.173 -9.173 366 2HG2 THR 47 2HG2 THR 47 -13.716 -10.160 -10.160 367 3HG2 THR 47 1HG2 THR 47 -12.224 -9.749 -9.749 368 H THR 48 HN THR 48 -13.317 -11.762 -11.762 369 HA THR 48 HA THR 48 -14.811 -13.820 -13.820 370 HB THR 48 HB THR 48 -12.399 -14.542 -14.542 371 HG1 THR 48 1HG THR 48 -11.102 -13.321 -13.321 372 1HG2 THR 48 2HG2 THR 48 -14.137 -12.277 -12.277 373 2HG2 THR 48 1HG2 THR 48 -12.522 -12.343 -12.343 374 3HG2 THR 48 3HG2 THR 48 -13.637 -13.693 -13.693 375 H ASN 49 HN ASN 49 -12.317 -13.940 -13.940 376 HA ASN 49 HA ASN 49 -13.105 -16.701 -16.701 377 1HB ASN 49 2HB ASN 49 -10.314 -15.698 -15.698 378 2HB ASN 49 1HB ASN 49 -10.605 -17.108 -17.108 379 1HD2 ASN 49 2HD2 ASN 49 -12.024 -18.971 -18.971 380 2HD2 ASN 49 1HD2 ASN 49 -12.465 -18.517 -18.517 381 H MET 50 HN MET 50 -13.829 -16.719 -16.719 382 HA MET 50 HA MET 50 -12.855 -14.740 -14.740 383 1HB MET 50 2HB MET 50 -15.199 -16.625 -16.625 384 2HB MET 50 1HB MET 50 -14.711 -15.797 -15.797 385 1HG MET 50 2HG MET 50 -15.459 -14.435 -14.435 386 2HG MET 50 1HG MET 50 -16.531 -14.658 -14.658 387 1HE MET 50 3HE MET 50 -15.490 -14.025 -14.025 388 2HE MET 50 2HE MET 50 -15.217 -12.293 -12.293 389 3HE MET 50 1HE MET 50 -16.710 -12.875 -12.875 390 H ARG 51 HN ARG 51 -11.337 -17.196 -17.196 391 HA ARG 51 HA ARG 51 -11.042 -18.565 -18.565 392 1HB ARG 51 2HB ARG 51 -9.613 -20.155 -20.155 393 2HB ARG 51 1HB ARG 51 -11.361 -20.204 -20.204 394 1HG ARG 51 2HG ARG 51 -11.207 -18.822 -18.822 395 2HG ARG 51 1HG ARG 51 -9.455 -18.737 -18.737 396 1HD ARG 51 2HD ARG 51 -10.496 -20.463 -20.463 397 2HD ARG 51 1HD ARG 51 -9.152 -20.945 -20.945 398 HE ARG 51 HE ARG 51 -11.904 -21.840 -21.840 399 1HH1 ARG 51 1HH2 ARG 51 -8.784 -21.680 -21.680 400 2HH1 ARG 51 2HH2 ARG 51 -9.109 -23.011 -23.011 401 1HH2 ARG 51 1HH1 ARG 51 -12.327 -23.590 -23.590 402 2HH2 ARG 51 2HH1 ARG 51 -11.116 -24.097 -24.097 403 H ARG 52 HN ARG 52 -9.283 -16.781 -16.781 404 HA ARG 52 HA ARG 52 -6.869 -16.834 -16.834 405 1HB ARG 52 2HB ARG 52 -7.059 -17.285 -17.285 406 2HB ARG 52 1HB ARG 52 -6.857 -15.539 -15.539 407 1HG ARG 52 2HG ARG 52 -4.729 -15.632 -15.632 408 2HG ARG 52 1HG ARG 52 -4.985 -17.237 -17.237 409 1HD ARG 52 2HD ARG 52 -3.486 -17.070 -17.070 410 2HD ARG 52 1HD ARG 52 -4.756 -18.292 -18.292 411 HE ARG 52 HE ARG 52 -5.772 -17.171 -17.171 412 1HH1 ARG 52 1HH2 ARG 52 -3.363 -15.117 -15.117 413 2HH1 ARG 52 2HH2 ARG 52 -3.471 -13.901 -13.901 414 1HH2 ARG 52 1HH1 ARG 52 -5.922 -15.579 -15.579 415 2HH2 ARG 52 2HH1 ARG 52 -4.926 -14.164 -14.164 416 H LEU 53 HN LEU 53 -9.358 -14.740 -14.740 417 HA LEU 53 HA LEU 53 -8.001 -12.417 -12.417 418 1HB LEU 53 2HB LEU 53 -10.313 -12.393 -12.393 419 2HB LEU 53 1HB LEU 53 -9.369 -11.014 -11.014 420 HG LEU 53 HG LEU 53 -7.668 -13.014 -13.014 421 1HD1 LEU 53 2HD1 LEU 53 -10.111 -13.102 -13.102 422 2HD1 LEU 53 1HD1 LEU 53 -9.351 -11.812 -11.812 423 3HD1 LEU 53 3HD1 LEU 53 -8.597 -13.405 -13.405 424 1HD2 LEU 53 3HD2 LEU 53 -8.326 -10.154 -10.154 425 2HD2 LEU 53 2HD2 LEU 53 -7.028 -10.699 -10.699 426 3HD2 LEU 53 1HD2 LEU 53 -6.982 -11.088 -11.088 427 H SER 54 HN SER 54 -9.172 -11.009 -11.009 428 HA SER 54 HA SER 54 -11.805 -11.887 -11.887 429 1HB SER 54 2HB SER 54 -10.322 -11.188 -11.188 430 2HB SER 54 1HB SER 54 -11.087 -12.728 -12.728 431 HG SER 54 HG SER 54 -9.182 -13.334 -13.334 432 H VAL 55 HN VAL 55 -12.995 -10.126 -10.126 433 HA VAL 55 HA VAL 55 -11.846 -7.487 -7.487 434 HB VAL 55 HB VAL 55 -14.085 -6.742 -6.742 435 1HG1 VAL 55 1HG1 VAL 55 -11.868 -8.091 -8.091 436 2HG1 VAL 55 3HG1 VAL 55 -13.167 -7.217 -7.217 437 3HG1 VAL 55 2HG1 VAL 55 -12.098 -6.370 -6.370 438 1HG2 VAL 55 2HG2 VAL 55 -14.820 -9.288 -9.288 439 2HG2 VAL 55 1HG2 VAL 55 -15.424 -8.227 -8.227 440 3HG2 VAL 55 3HG2 VAL 55 -14.101 -9.344 -9.344 441 H ASP 56 HN ASP 56 -12.767 -6.028 -6.028 442 HA ASP 56 HA ASP 56 -15.177 -6.656 -6.656 443 1HB ASP 56 2HB ASP 56 -12.487 -6.873 -6.873 444 2HB ASP 56 1HB ASP 56 -13.950 -6.525 -6.525 445 HA PRO 57 HA PRO 57 -16.459 -5.790 -5.790 446 1HB PRO 57 2HB PRO 57 -18.527 -4.074 -4.074 447 2HB PRO 57 1HB PRO 57 -17.415 -4.007 -4.007 448 1HG PRO 57 2HG PRO 57 -17.462 -2.339 -2.339 449 2HG PRO 57 1HG PRO 57 -17.204 -1.836 -1.836 450 1HD PRO 57 2HD PRO 57 -15.171 -2.188 -2.188 451 2HD PRO 57 1HD PRO 57 -14.988 -2.446 -2.446 452 HA PRO 58 HA PRO 58 -17.822 -7.073 -7.073 453 1HB PRO 58 2HB PRO 58 -19.590 -8.969 -8.969 454 2HB PRO 58 1HB PRO 58 -17.847 -9.185 -9.185 455 1HG PRO 58 2HG PRO 58 -19.910 -8.401 -8.401 456 2HG PRO 58 1HG PRO 58 -18.561 -9.541 -9.541 457 1HD PRO 58 2HD PRO 58 -18.485 -6.973 -6.973 458 2HD PRO 58 1HD PRO 58 -17.043 -7.873 -7.873 459 H CYS 59 HN CYS 59 -19.743 -5.362 -5.362 460 HA CYS 59 HA CYS 59 -21.486 -4.415 -4.415 461 1HB CYS 59 2HB CYS 59 -23.613 -5.294 -5.294 462 2HB CYS 59 1HB CYS 59 -22.567 -6.591 -6.591 463 HG CYS 59 HG CYS 59 -22.247 -6.270 -6.270 464 H GLY 60 HN GLY 60 -23.081 -2.857 -2.857 465 1HA GLY 60 2HA GLY 60 -23.352 -2.084 -2.084 466 2HA GLY 60 1HA GLY 60 -21.902 -1.276 -1.276 467 H VAL 61 HN VAL 61 -24.258 0.027 0.027 468 HA VAL 61 HA VAL 61 -25.539 1.015 1.015 469 HB VAL 61 HB VAL 61 -26.116 1.843 1.843 470 1HG1 VAL 61 3HG1 VAL 61 -26.898 3.329 3.329 471 2HG1 VAL 61 2HG1 VAL 61 -27.856 1.984 1.984 472 3HG1 VAL 61 1HG1 VAL 61 -28.200 2.653 2.653 473 1HG2 VAL 61 1HG2 VAL 61 -26.359 -0.671 -0.671 474 2HG2 VAL 61 3HG2 VAL 61 -27.673 0.148 0.148 475 3HG2 VAL 61 2HG2 VAL 61 -27.779 -0.132 -0.132 476 H LEU 62 HN LEU 62 -25.162 2.978 2.978 477 HA LEU 62 HA LEU 62 -23.171 4.675 4.675 478 1HB LEU 62 2HB LEU 62 -23.052 3.602 3.602 479 2HB LEU 62 1HB LEU 62 -23.758 5.168 5.168 480 HG LEU 62 HG LEU 62 -21.867 6.308 6.308 481 1HD1 LEU 62 1HD1 LEU 62 -21.245 3.612 3.612 482 2HD1 LEU 62 3HD1 LEU 62 -19.886 4.641 4.641 483 3HD1 LEU 62 2HD1 LEU 62 -21.051 5.198 5.198 484 1HD2 LEU 62 2HD2 LEU 62 -21.808 5.145 5.145 485 2HD2 LEU 62 1HD2 LEU 62 -20.365 5.917 5.917 486 3HD2 LEU 62 3HD2 LEU 62 -20.550 4.165 4.165 487 H ASP 63 HN ASP 63 -23.655 6.714 6.714 488 HA ASP 63 HA ASP 63 -26.385 7.622 7.622 489 1HB ASP 63 2HB ASP 63 -24.268 8.124 8.124 490 2HB ASP 63 1HB ASP 63 -25.069 9.602 9.602 491 HA PRO 64 HA PRO 64 -25.695 10.687 10.687 492 1HB PRO 64 2HB PRO 64 -26.598 13.026 13.026 493 2HB PRO 64 1HB PRO 64 -27.649 11.779 11.779 494 1HG PRO 64 2HG PRO 64 -26.899 12.286 12.286 495 2HG PRO 64 1HG PRO 64 -28.477 11.850 11.850 496 1HD PRO 64 2HD PRO 64 -26.921 10.035 10.035 497 2HD PRO 64 1HD PRO 64 -27.918 9.608 9.608 498 H LYS 65 HN LYS 65 -23.638 11.158 11.158 499 HA LYS 65 HA LYS 65 -21.668 12.304 12.304 500 1HB LYS 65 2HB LYS 65 -23.463 14.105 14.105 501 2HB LYS 65 1HB LYS 65 -21.974 14.158 14.158 502 1HG LYS 65 2HG LYS 65 -21.705 14.274 14.274 503 2HG LYS 65 1HG LYS 65 -22.401 15.684 15.684 504 1HD LYS 65 2HD LYS 65 -20.339 15.325 15.325 505 2HD LYS 65 1HD LYS 65 -19.662 14.540 14.540 506 1HE LYS 65 2HE LYS 65 -20.702 17.364 17.364 507 2HE LYS 65 1HE LYS 65 -19.019 16.866 16.866 508 1HZ LYS 65 1HZ LYS 65 -20.486 15.710 15.710 509 2HZ LYS 65 3HZ LYS 65 -20.909 17.347 17.347 510 3HZ LYS 65 2HZ LYS 65 -19.287 16.899 16.899 511 H GLU 66 HN GLU 66 -22.134 10.014 10.014 512 HA GLU 66 HA GLU 66 -20.330 10.564 10.564 513 1HB GLU 66 2HB GLU 66 -22.515 8.682 8.682 514 2HB GLU 66 1HB GLU 66 -21.094 7.919 7.919 515 1HG GLU 66 2HG GLU 66 -21.354 10.171 10.171 516 2HG GLU 66 1HG GLU 66 -23.032 9.741 9.741 517 H LYS 67 HN LYS 67 -18.448 9.347 9.347 518 HA LYS 67 HA LYS 67 -17.452 7.948 7.948 519 1HB LYS 67 2HB LYS 67 -16.190 9.908 9.908 520 2HB LYS 67 1HB LYS 67 -15.170 8.600 8.600 521 1HG LYS 67 2HG LYS 67 -15.247 9.321 9.321 522 2HG LYS 67 1HG LYS 67 -16.794 10.143 10.143 523 1HD LYS 67 2HD LYS 67 -15.632 11.816 11.816 524 2HD LYS 67 1HD LYS 67 -14.102 11.035 11.035 525 1HE LYS 67 2HE LYS 67 -14.429 11.540 11.540 526 2HE LYS 67 1HE LYS 67 -16.024 12.210 12.210 527 1HZ LYS 67 1HZ LYS 67 -14.917 13.902 13.902 528 2HZ LYS 67 3HZ LYS 67 -13.414 13.301 13.301 529 3HZ LYS 67 2HZ LYS 67 -14.464 13.988 13.988 530 H VAL 68 HN VAL 68 -17.102 5.849 5.849 531 HA VAL 68 HA VAL 68 -16.664 4.790 4.790 532 HB VAL 68 HB VAL 68 -18.739 3.989 3.989 533 1HG1 VAL 68 1HG1 VAL 68 -17.991 4.109 4.109 534 2HG1 VAL 68 3HG1 VAL 68 -16.902 2.750 2.750 535 3HG1 VAL 68 2HG1 VAL 68 -18.647 2.520 2.520 536 1HG2 VAL 68 3HG2 VAL 68 -17.113 2.582 2.582 537 2HG2 VAL 68 2HG2 VAL 68 -18.523 1.833 1.833 538 3HG2 VAL 68 1HG2 VAL 68 -16.927 1.624 1.624 539 H LEU 69 HN LEU 69 -15.045 3.267 3.267 540 HA LEU 69 HA LEU 69 -12.923 3.300 3.300 541 1HB LEU 69 2HB LEU 69 -13.061 3.028 3.028 542 2HB LEU 69 1HB LEU 69 -11.890 1.971 1.971 543 HG LEU 69 HG LEU 69 -11.983 4.977 4.977 544 1HD1 LEU 69 2HD1 LEU 69 -10.602 3.137 3.137 545 2HD1 LEU 69 1HD1 LEU 69 -9.604 4.405 4.405 546 3HD1 LEU 69 3HD1 LEU 69 -11.048 4.831 4.831 547 1HD2 LEU 69 1HD2 LEU 69 -10.865 3.051 3.051 548 2HD2 LEU 69 3HD2 LEU 69 -10.599 4.795 4.795 549 3HD2 LEU 69 2HD2 LEU 69 -9.523 3.746 3.746 550 H MET 70 HN MET 70 -11.925 1.451 1.451 551 HA MET 70 HA MET 70 -13.299 -1.101 -1.101 552 1HB MET 70 2HB MET 70 -13.956 0.009 0.009 553 2HB MET 70 1HB MET 70 -12.301 -0.259 -0.259 554 1HG MET 70 2HG MET 70 -12.578 -2.506 -2.506 555 2HG MET 70 1HG MET 70 -13.808 -2.583 -2.583 556 1HE MET 70 3HE MET 70 -12.969 -1.507 -1.507 557 2HE MET 70 2HE MET 70 -14.544 -1.170 -1.170 558 3HE MET 70 1HE MET 70 -13.868 -0.069 -0.069 559 H ALA 71 HN ALA 71 -12.005 -2.997 -2.997 560 HA ALA 71 HA ALA 71 -9.121 -2.522 -2.522 561 1HB ALA 71 2HB ALA 71 -9.899 -2.655 -2.655 562 2HB ALA 71 1HB ALA 71 -10.201 -4.363 -4.363 563 3HB ALA 71 3HB ALA 71 -8.571 -3.710 -3.710 564 H VAL 72 HN VAL 72 -8.265 -3.808 -3.808 565 HA VAL 72 HA VAL 72 -9.608 -6.357 -6.357 566 HB VAL 72 HB VAL 72 -9.591 -4.757 -4.757 567 1HG1 VAL 72 1HG1 VAL 72 -7.073 -4.101 -4.101 568 2HG1 VAL 72 3HG1 VAL 72 -6.749 -5.011 -5.011 569 3HG1 VAL 72 2HG1 VAL 72 -7.795 -3.592 -3.592 570 1HG2 VAL 72 1HG2 VAL 72 -9.157 -7.382 -7.382 571 2HG2 VAL 72 3HG2 VAL 72 -9.210 -6.364 -6.364 572 3HG2 VAL 72 2HG2 VAL 72 -7.657 -6.828 -6.828 573 H SER 73 HN SER 73 -8.560 -8.068 -8.068 574 HA SER 73 HA SER 73 -5.665 -7.893 -7.893 575 1HB SER 73 2HB SER 73 -6.999 -10.310 -10.310 576 2HB SER 73 1HB SER 73 -5.950 -9.177 -9.177 577 HG SER 73 HG SER 73 -8.472 -9.415 -9.415 578 H CYS 74 HN CYS 74 -4.261 -8.998 -8.998 579 HA CYS 74 HA CYS 74 -5.310 -11.070 -11.070 580 1HB CYS 74 2HB CYS 74 -4.504 -9.025 -9.025 581 2HB CYS 74 1HB CYS 74 -2.916 -9.270 -9.270 582 HG CYS 74 HG CYS 74 -2.667 -11.426 -11.426 583 H ASP 75 HN ASP 75 -4.515 -13.061 -13.061 584 HA ASP 75 HA ASP 75 -2.512 -13.578 -13.578 585 1HB ASP 75 2HB ASP 75 -4.058 -15.409 -15.409 586 2HB ASP 75 1HB ASP 75 -2.910 -15.979 -15.979 587 H THR 76 HN THR 76 -0.504 -14.565 -14.565 588 HA THR 76 HA THR 76 0.972 -13.703 -13.703 589 HB THR 76 HB THR 76 2.821 -14.694 -14.694 590 HG1 THR 76 1HG THR 76 2.735 -16.703 -16.703 591 1HG2 THR 76 3HG2 THR 76 1.527 -13.139 -13.139 592 2HG2 THR 76 2HG2 THR 76 1.096 -14.615 -14.615 593 3HG2 THR 76 1HG2 THR 76 2.791 -14.163 -14.163 594 H PHE 77 HN PHE 77 2.183 -15.094 -15.094 595 HA PHE 77 HA PHE 77 1.501 -17.768 -17.768 596 1HB PHE 77 2HB PHE 77 0.044 -17.586 -17.586 597 2HB PHE 77 1HB PHE 77 -0.699 -16.730 -16.730 598 HD1 PHE 77 2HD PHE 77 -0.817 -14.294 -14.294 599 HD2 PHE 77 1HD PHE 77 0.800 -16.423 -16.423 600 HE1 PHE 77 2HE PHE 77 -1.012 -12.272 -12.272 601 HE2 PHE 77 1HE PHE 77 0.609 -14.407 -14.407 602 HZ PHE 77 HZ PHE 77 -0.300 -12.328 -12.328 603 H ASN 78 HN ASN 78 1.905 -18.153 -18.153 604 HA ASN 78 HA ASN 78 4.513 -16.892 -16.892 605 1HB ASN 78 2HB ASN 78 4.783 -18.883 -18.883 606 2HB ASN 78 1HB ASN 78 4.810 -19.225 -19.225 607 1HD2 ASN 78 2HD2 ASN 78 1.821 -21.052 -21.052 608 2HD2 ASN 78 1HD2 ASN 78 2.950 -20.148 -20.148 609 H ALA 79 HN ALA 79 4.351 -15.206 -15.206 610 HA ALA 79 HA ALA 79 2.349 -15.184 -15.184 611 1HB ALA 79 3HB ALA 79 4.130 -13.127 -13.127 612 2HB ALA 79 2HB ALA 79 3.406 -12.835 -12.835 613 3HB ALA 79 1HB ALA 79 2.375 -13.130 -13.130 614 H ALA 80 HN ALA 80 4.947 -16.831 -16.831 615 HA ALA 80 HA ALA 80 6.326 -15.753 -15.753 616 1HB ALA 80 1HB ALA 80 7.187 -17.183 -17.183 617 2HB ALA 80 3HB ALA 80 7.175 -18.387 -18.387 618 3HB ALA 80 2HB ALA 80 8.105 -16.900 -16.900 619 H THR 81 HN THR 81 4.315 -18.498 -18.498 620 HA THR 81 HA THR 81 3.959 -19.096 -19.096 621 HB THR 81 HB THR 81 3.900 -21.493 -21.493 622 HG1 THR 81 1HG THR 81 3.348 -21.684 -21.684 623 1HG2 THR 81 2HG2 THR 81 6.071 -20.336 -20.336 624 2HG2 THR 81 1HG2 THR 81 6.426 -20.384 -20.384 625 3HG2 THR 81 3HG2 THR 81 6.196 -21.888 -21.888 626 H GLU 82 HN GLU 82 2.255 -17.446 -17.446 627 HA GLU 82 HA GLU 82 -0.177 -19.082 -19.082 628 1HB GLU 82 2HB GLU 82 0.598 -17.034 -17.034 629 2HB GLU 82 1HB GLU 82 -0.995 -17.766 -17.766 630 1HG GLU 82 2HG GLU 82 1.550 -19.299 -19.299 631 2HG GLU 82 1HG GLU 82 0.437 -18.785 -18.785 632 H ASP 83 HN ASP 83 -2.145 -17.460 -17.460 633 HA ASP 83 HA ASP 83 -1.826 -15.600 -15.600 634 1HB ASP 83 2HB ASP 83 -4.266 -16.654 -16.654 635 2HB ASP 83 1HB ASP 83 -4.340 -15.457 -15.457 636 H LEU 84 HN LEU 84 -2.459 -13.419 -13.419 637 HA LEU 84 HA LEU 84 -2.930 -12.277 -12.277 638 1HB LEU 84 2HB LEU 84 -0.865 -11.175 -11.175 639 2HB LEU 84 1HB LEU 84 -1.235 -10.592 -10.592 640 HG LEU 84 HG LEU 84 0.048 -13.237 -13.237 641 1HD1 LEU 84 1HD1 LEU 84 1.420 -11.124 -11.124 642 2HD1 LEU 84 3HD1 LEU 84 1.222 -10.926 -10.926 643 3HD1 LEU 84 2HD1 LEU 84 2.046 -12.349 -12.349 644 1HD2 LEU 84 2HD2 LEU 84 -1.457 -12.489 -12.489 645 2HD2 LEU 84 1HD2 LEU 84 -0.521 -13.960 -13.960 646 3HD2 LEU 84 3HD2 LEU 84 0.240 -12.550 -12.550 647 H ASN 85 HN ASN 85 -4.597 -12.706 -12.706 648 HA ASN 85 HA ASN 85 -5.490 -9.941 -9.941 649 1HB ASN 85 2HB ASN 85 -4.256 -11.494 -11.494 650 2HB ASN 85 1HB ASN 85 -5.943 -11.204 -11.204 651 1HD2 ASN 85 2HD2 ASN 85 -3.299 -8.373 -8.373 652 2HD2 ASN 85 1HD2 ASN 85 -2.964 -10.054 -10.054 653 H ASN 86 HN ASN 86 -6.397 -12.340 -12.340 654 HA ASN 86 HA ASN 86 -9.066 -12.610 -12.610 655 1HB ASN 86 2HB ASN 86 -7.269 -14.608 -14.608 656 2HB ASN 86 1HB ASN 86 -8.982 -14.753 -14.753 657 1HD2 ASN 86 2HD2 ASN 86 -7.585 -16.110 -16.110 658 2HD2 ASN 86 1HD2 ASN 86 -6.607 -15.637 -15.637 659 H ASP 87 HN ASP 87 -7.325 -11.443 -11.443 660 HA ASP 87 HA ASP 87 -9.420 -11.764 -11.764 661 1HB ASP 87 2HB ASP 87 -6.970 -9.996 -9.996 662 2HB ASP 87 1HB ASP 87 -7.985 -10.476 -10.476 663 H ARG 88 HN ARG 88 -11.167 -10.544 -10.544 664 HA ARG 88 HA ARG 88 -11.013 -7.691 -7.691 665 1HB ARG 88 2HB ARG 88 -13.130 -7.883 -7.883 666 2HB ARG 88 1HB ARG 88 -11.596 -8.309 -8.309 667 1HG ARG 88 2HG ARG 88 -12.061 -10.611 -10.611 668 2HG ARG 88 1HG ARG 88 -13.398 -10.369 -10.369 669 1HD ARG 88 2HD ARG 88 -14.803 -10.248 -10.248 670 2HD ARG 88 1HD ARG 88 -13.945 -8.826 -8.826 671 HE ARG 88 HE ARG 88 -12.724 -11.337 -11.337 672 1HH1 ARG 88 1HH2 ARG 88 -15.043 -8.898 -8.898 673 2HH1 ARG 88 2HH2 ARG 88 -14.999 -9.289 -9.289 674 1HH2 ARG 88 1HH1 ARG 88 -12.660 -11.863 -11.863 675 2HH2 ARG 88 2HH1 ARG 88 -13.645 -10.976 -10.976 676 H ILE 89 HN ILE 89 -12.327 -6.548 -6.548 677 HA ILE 89 HA ILE 89 -14.064 -8.058 -8.058 678 HB ILE 89 HB ILE 89 -13.376 -5.148 -5.148 679 1HG1 ILE 89 2HG1 ILE 89 -11.740 -7.524 -7.524 680 2HG1 ILE 89 1HG1 ILE 89 -11.251 -6.308 -6.308 681 1HG2 ILE 89 3HG2 ILE 89 -14.339 -7.333 -7.333 682 2HG2 ILE 89 2HG2 ILE 89 -13.571 -5.882 -5.882 683 3HG2 ILE 89 1HG2 ILE 89 -15.050 -5.748 -5.748 684 1HD1 ILE 89 1HD1 ILE 89 -11.581 -4.635 -4.635 685 2HD1 ILE 89 3HD1 ILE 89 -11.528 -6.060 -6.060 686 3HD1 ILE 89 2HD1 ILE 89 -10.152 -5.669 -5.669 687 H THR 90 HN THR 90 -16.112 -6.947 -6.947 688 HA THR 90 HA THR 90 -17.323 -5.368 -5.368 689 HB THR 90 HB THR 90 -18.517 -7.856 -7.856 690 HG1 THR 90 1HG THR 90 -18.078 -8.788 -8.788 691 1HG2 THR 90 3HG2 THR 90 -19.924 -5.651 -5.651 692 2HG2 THR 90 2HG2 THR 90 -19.947 -6.799 -6.799 693 3HG2 THR 90 1HG2 THR 90 -20.542 -7.284 -7.284 694 H ILE 91 HN ILE 91 -18.122 -3.563 -3.563 695 HA ILE 91 HA ILE 91 -19.144 -3.629 -3.629 696 HB ILE 91 HB ILE 91 -17.967 -1.260 -1.260 697 1HG1 ILE 91 2HG1 ILE 91 -16.261 -1.590 -1.590 698 2HG1 ILE 91 1HG1 ILE 91 -16.824 -3.256 -3.256 699 1HG2 ILE 91 2HG2 ILE 91 -19.637 -1.458 -1.458 700 2HG2 ILE 91 1HG2 ILE 91 -18.048 -0.862 -0.862 701 3HG2 ILE 91 3HG2 ILE 91 -18.968 -0.019 -0.019 702 1HD1 ILE 91 3HD1 ILE 91 -16.312 -2.860 -2.860 703 2HD1 ILE 91 2HD1 ILE 91 -15.152 -1.733 -1.733 704 3HD1 ILE 91 1HD1 ILE 91 -15.105 -3.439 -3.439 705 H GLU 92 HN GLU 92 -21.299 -3.686 -3.686 706 HA GLU 92 HA GLU 92 -22.676 -1.953 -1.953 707 1HB GLU 92 2HB GLU 92 -24.642 -3.587 -3.587 708 2HB GLU 92 1HB GLU 92 -23.399 -4.067 -4.067 709 1HG GLU 92 2HG GLU 92 -22.282 -5.372 -5.372 710 2HG GLU 92 1HG GLU 92 -23.431 -4.822 -4.822 711 H TRP 93 HN TRP 93 -24.661 -0.958 -0.958 712 HA TRP 93 HA TRP 93 -25.271 -0.880 -0.880 713 1HB TRP 93 2HB TRP 93 -24.850 1.460 1.460 714 2HB TRP 93 1HB TRP 93 -23.368 0.731 0.731 715 HD1 TRP 93 1HD TRP 93 -25.619 3.587 3.587 716 HE1 TRP 93 1HE TRP 93 -25.048 4.749 4.749 717 HE3 TRP 93 3HE TRP 93 -22.566 0.017 0.017 718 HZ2 TRP 93 2HZ TRP 93 -23.509 4.221 4.221 719 HZ3 TRP 93 3HZ TRP 93 -21.586 0.424 0.424 720 HH2 TRP 93 2HH TRP 93 -22.049 2.483 2.483 721 H THR 94 HN THR 94 -27.338 -0.208 -0.208 722 HA THR 94 HA THR 94 -28.879 0.967 0.967 723 HB THR 94 HB THR 94 -29.202 -1.490 -1.490 724 HG1 THR 94 1HG THR 94 -31.463 -1.388 -1.388 725 1HG2 THR 94 3HG2 THR 94 -28.938 -1.900 -1.900 726 2HG2 THR 94 2HG2 THR 94 -30.548 -1.219 -1.219 727 3HG2 THR 94 1HG2 THR 94 -30.337 -2.681 -2.681 728 H ASN 95 HN ASN 95 -30.832 2.011 2.011 729 HA ASN 95 HA ASN 95 -30.573 3.416 3.416 730 1HB ASN 95 2HB ASN 95 -32.821 3.259 3.259 731 2HB ASN 95 1HB ASN 95 -32.859 4.315 4.315 732 1HD2 ASN 95 2HD2 ASN 95 -30.240 6.432 6.432 733 2HD2 ASN 95 1HD2 ASN 95 -30.778 5.657 5.657 734 H THR 96 HN THR 96 -31.336 2.975 2.975 735 HA THR 96 HA THR 96 -32.582 0.477 0.477 736 HB THR 96 HB THR 96 -32.773 1.447 1.447 737 HG1 THR 96 1HG THR 96 -32.354 3.472 3.472 738 1HG2 THR 96 2HG2 THR 96 -30.352 0.826 0.826 739 2HG2 THR 96 1HG2 THR 96 -30.069 1.890 1.890 740 3HG2 THR 96 3HG2 THR 96 -30.860 0.331 0.331 741 HA PRO 97 HA PRO 97 -36.883 1.300 1.300 742 1HB PRO 97 2HB PRO 97 -37.175 -0.107 -0.107 743 2HB PRO 97 1HB PRO 97 -38.022 -0.384 -0.384 744 1HG PRO 97 2HG PRO 97 -36.076 -2.022 -2.022 745 2HG PRO 97 1HG PRO 97 -36.258 -1.576 -1.576 746 1HD PRO 97 2HD PRO 97 -34.247 -0.659 -0.659 747 2HD PRO 97 1HD PRO 97 -34.081 -0.887 -0.887 748 H ASP 98 HN ASP 98 -38.696 2.377 2.377 749 HA ASP 98 HA ASP 98 -38.048 4.774 4.774 750 1HB ASP 98 2HB ASP 98 -40.514 3.284 3.284 751 2HB ASP 98 1HB ASP 98 -40.636 4.368 4.368 752 H GLY 99 HN GLY 99 -36.823 4.747 4.747 753 1HA GLY 99 2HA GLY 99 -36.305 4.527 4.527 754 2HA GLY 99 1HA GLY 99 -38.037 4.404 4.404 755 H ALA 100 HN ALA 100 -35.820 2.247 2.247 756 HA ALA 100 HA ALA 100 -36.963 -0.117 -0.117 757 1HB ALA 100 3HB ALA 100 -34.353 0.580 0.580 758 2HB ALA 100 2HB ALA 100 -34.567 -1.034 -1.034 759 3HB ALA 100 1HB ALA 100 -35.650 -0.460 -0.460 760 H ALA 101 HN ALA 101 -33.591 0.505 0.505 761 HA ALA 101 HA ALA 101 -33.862 0.802 0.802 762 1HB ALA 101 3HB ALA 101 -34.813 -1.497 -1.497 763 2HB ALA 101 2HB ALA 101 -33.237 -2.040 -2.040 764 3HB ALA 101 1HB ALA 101 -33.399 -1.377 -1.377 765 H LYS 102 HN LYS 102 -31.822 0.398 0.398 766 HA LYS 102 HA LYS 102 -29.594 1.187 1.187 767 1HB LYS 102 2HB LYS 102 -29.805 0.906 0.906 768 2HB LYS 102 1HB LYS 102 -28.401 1.533 1.533 769 1HG LYS 102 2HG LYS 102 -29.335 3.526 3.526 770 2HG LYS 102 1HG LYS 102 -30.364 3.123 3.123 771 1HD LYS 102 2HD LYS 102 -32.158 3.174 3.174 772 2HD LYS 102 1HD LYS 102 -31.462 1.916 1.916 773 1HE LYS 102 2HE LYS 102 -30.916 4.872 4.872 774 2HE LYS 102 1HE LYS 102 -32.036 3.956 3.956 775 1HZ LYS 102 2HZ LYS 102 -29.741 2.540 2.540 776 2HZ LYS 102 1HZ LYS 102 -29.170 4.130 4.130 777 3HZ LYS 102 3HZ LYS 102 -30.285 3.673 3.673 778 H GLN 103 HN GLN 103 -29.688 -0.972 -0.972 779 HA GLN 103 HA GLN 103 -27.491 -2.522 -2.522 780 1HB GLN 103 2HB GLN 103 -30.004 -3.282 -3.282 781 2HB GLN 103 1HB GLN 103 -29.237 -4.604 -4.604 782 1HG GLN 103 2HG GLN 103 -27.126 -3.526 -3.526 783 2HG GLN 103 1HG GLN 103 -28.449 -3.269 -3.269 784 1HE2 GLN 103 2HE2 GLN 103 -28.947 -6.683 -6.683 785 2HE2 GLN 103 1HE2 GLN 103 -29.681 -5.120 -5.120 786 H PHE 104 HN PHE 104 -26.830 -3.391 -3.391 787 HA PHE 104 HA PHE 104 -28.284 -3.315 -3.315 788 1HB PHE 104 2HB PHE 104 -25.819 -3.466 -3.466 789 2HB PHE 104 1HB PHE 104 -25.958 -5.132 -5.132 790 HD1 PHE 104 2HD PHE 104 -26.991 -6.831 -6.831 791 HD2 PHE 104 1HD PHE 104 -25.866 -2.931 -2.931 792 HE1 PHE 104 2HE PHE 104 -27.007 -7.599 -7.599 793 HE2 PHE 104 1HE PHE 104 -25.880 -3.693 -3.693 794 HZ PHE 104 HZ PHE 104 -26.451 -6.030 -6.030 795 H ARG 105 HN ARG 105 -29.386 -4.845 -4.845 796 HA ARG 105 HA ARG 105 -29.952 -7.422 -7.422 797 1HB ARG 105 2HB ARG 105 -31.753 -5.462 -5.462 798 2HB ARG 105 1HB ARG 105 -32.202 -6.049 -6.049 799 1HG ARG 105 2HG ARG 105 -32.920 -8.074 -8.074 800 2HG ARG 105 1HG ARG 105 -31.875 -8.011 -8.011 801 1HD ARG 105 2HD ARG 105 -33.296 -6.499 -6.499 802 2HD ARG 105 1HD ARG 105 -34.170 -6.112 -6.112 803 HE ARG 105 HE ARG 105 -34.576 -8.796 -8.796 804 1HH1 ARG 105 1HH2 ARG 105 -35.161 -5.876 -5.876 805 2HH1 ARG 105 2HH2 ARG 105 -36.551 -6.506 -6.506 806 1HH2 ARG 105 1HH1 ARG 105 -36.403 -9.638 -9.638 807 2HH2 ARG 105 2HH1 ARG 105 -37.256 -8.646 -8.646 808 H ARG 106 HN ARG 106 -30.749 -9.057 -9.057 809 HA ARG 106 HA ARG 106 -29.644 -8.739 -8.739 810 1HB ARG 106 2HB ARG 106 -29.261 -10.735 -10.735 811 2HB ARG 106 1HB ARG 106 -30.765 -11.323 -11.323 812 1HG ARG 106 2HG ARG 106 -29.349 -10.672 -10.672 813 2HG ARG 106 1HG ARG 106 -28.077 -11.225 -11.225 814 1HD ARG 106 2HD ARG 106 -30.603 -12.789 -12.789 815 2HD ARG 106 1HD ARG 106 -29.176 -12.981 -12.981 816 HE ARG 106 HE ARG 106 -29.568 -14.070 -14.070 817 1HH1 ARG 106 1HH2 ARG 106 -27.130 -12.672 -12.672 818 2HH1 ARG 106 2HH2 ARG 106 -25.822 -13.516 -13.516 819 1HH2 ARG 106 1HH1 ARG 106 -27.852 -15.184 -15.184 820 2HH2 ARG 106 2HH1 ARG 106 -26.232 -14.943 -14.943 821 H GLU 107 HN GLU 107 -32.193 -7.496 -7.496 822 HA GLU 107 HA GLU 107 -33.972 -8.961 -8.961 823 1HB GLU 107 2HB GLU 107 -35.861 -7.874 -7.874 824 2HB GLU 107 1HB GLU 107 -34.913 -8.897 -8.897 825 1HG GLU 107 2HG GLU 107 -33.995 -7.086 -7.086 826 2HG GLU 107 1HG GLU 107 -34.385 -5.960 -5.960 827 H TRP 108 HN TRP 108 -32.649 -5.843 -5.843 828 HA TRP 108 HA TRP 108 -34.136 -4.199 -4.199 829 1HB TRP 108 2HB TRP 108 -31.238 -3.837 -3.837 830 2HB TRP 108 1HB TRP 108 -32.340 -2.579 -2.579 831 HD1 TRP 108 1HD TRP 108 -34.799 -3.690 -3.690 832 HE1 TRP 108 1HE TRP 108 -34.694 -3.067 -3.067 833 HE3 TRP 108 3HE TRP 108 -29.818 -2.596 -2.596 834 HZ2 TRP 108 2HZ TRP 108 -32.758 -2.224 -2.224 835 HZ3 TRP 108 3HZ TRP 108 -28.918 -1.888 -1.888 836 HH2 TRP 108 2HH TRP 108 -30.359 -1.706 -1.706 837 H PHE 109 HN PHE 109 -31.453 -6.331 -6.331 838 HA PHE 109 HA PHE 109 -30.993 -5.270 -5.270 839 1HB PHE 109 2HB PHE 109 -29.815 -7.603 -7.603 840 2HB PHE 109 1HB PHE 109 -29.385 -7.220 -7.220 841 HD1 PHE 109 1HD PHE 109 -29.783 -5.310 -5.310 842 HD2 PHE 109 2HD PHE 109 -27.378 -6.156 -6.156 843 HE1 PHE 109 1HE PHE 109 -28.086 -3.721 -3.721 844 HE2 PHE 109 2HE PHE 109 -25.677 -4.569 -4.569 845 HZ PHE 109 HZ PHE 109 -26.030 -3.349 -3.349 846 H GLN 110 HN GLN 110 -32.330 -8.205 -8.205 847 HA GLN 110 HA GLN 110 -33.171 -9.161 -9.161 848 1HB GLN 110 2HB GLN 110 -33.151 -10.392 -10.392 849 2HB GLN 110 1HB GLN 110 -34.016 -11.136 -11.136 850 1HG GLN 110 2HG GLN 110 -31.221 -10.409 -10.409 851 2HG GLN 110 1HG GLN 110 -31.461 -11.682 -11.682 852 1HE2 GLN 110 2HE2 GLN 110 -31.580 -12.610 -12.610 853 2HE2 GLN 110 1HE2 GLN 110 -30.839 -11.212 -11.212 854 H GLY 111 HN GLY 111 -34.501 -6.920 -6.920 855 1HA GLY 111 2HA GLY 111 -37.232 -7.793 -7.793 856 2HA GLY 111 1HA GLY 111 -36.777 -6.779 -6.779 857 H ASP 112 HN ASP 112 -38.364 -5.259 -5.259 858 HA ASP 112 HA ASP 112 -38.200 -4.029 -4.029 859 1HB ASP 112 2HB ASP 112 -39.900 -2.561 -2.561 860 2HB ASP 112 1HB ASP 112 -40.223 -4.130 -4.130 861 H GLY 113 HN GLY 113 -37.579 -1.844 -1.844 862 1HA GLY 113 2HA GLY 113 -36.549 0.216 0.216 863 2HA GLY 113 1HA GLY 113 -35.526 -0.823 -0.823 864 H MET 114 HN MET 114 -33.780 0.426 0.426 865 HA MET 114 HA MET 114 -32.959 -0.811 -0.811 866 1HB MET 114 2HB MET 114 -32.547 2.118 2.118 867 2HB MET 114 1HB MET 114 -32.166 1.277 1.277 868 1HG MET 114 2HG MET 114 -34.146 1.875 1.875 869 2HG MET 114 1HG MET 114 -34.883 0.817 0.817 870 1HE MET 114 2HE MET 114 -36.700 1.476 1.476 871 2HE MET 114 1HE MET 114 -36.998 2.809 2.809 872 3HE MET 114 3HE MET 114 -37.284 3.024 3.024 873 H VAL 115 HN VAL 115 -31.218 -1.964 -1.964 874 HA VAL 115 HA VAL 115 -29.278 -0.827 -0.827 875 HB VAL 115 HB VAL 115 -30.224 -2.940 -2.940 876 1HG1 VAL 115 2HG1 VAL 115 -30.765 -3.826 -3.826 877 2HG1 VAL 115 1HG1 VAL 115 -29.053 -4.185 -4.185 878 3HG1 VAL 115 3HG1 VAL 115 -29.965 -4.998 -4.998 879 1HG2 VAL 115 3HG2 VAL 115 -27.540 -2.305 -2.305 880 2HG2 VAL 115 2HG2 VAL 115 -28.260 -3.533 -3.533 881 3HG2 VAL 115 1HG2 VAL 115 -27.607 -3.985 -3.985 882 H ARG 116 HN ARG 116 -27.275 -0.380 -0.380 883 HA ARG 116 HA ARG 116 -26.555 -1.122 -1.122 884 1HB ARG 116 2HB ARG 116 -26.602 1.338 1.338 885 2HB ARG 116 1HB ARG 116 -24.976 0.886 0.886 886 1HG ARG 116 2HG ARG 116 -24.241 0.648 0.648 887 2HG ARG 116 1HG ARG 116 -25.886 0.573 0.573 888 1HD ARG 116 2HD ARG 116 -26.196 2.849 2.849 889 2HD ARG 116 1HD ARG 116 -24.993 3.027 3.027 890 HE ARG 116 HE ARG 116 -23.359 3.246 3.246 891 1HH1 ARG 116 1HH2 ARG 116 -26.308 2.131 2.131 892 2HH1 ARG 116 2HH2 ARG 116 -25.736 2.366 2.366 893 1HH2 ARG 116 1HH1 ARG 116 -22.596 3.556 3.556 894 2HH2 ARG 116 2HH1 ARG 116 -23.626 3.175 3.175 895 H ARG 117 HN ARG 117 -24.392 -1.793 -1.793 896 HA ARG 117 HA ARG 117 -22.907 -2.856 -2.856 897 1HB ARG 117 2HB ARG 117 -24.245 -4.662 -4.662 898 2HB ARG 117 1HB ARG 117 -23.438 -4.357 -4.357 899 1HG ARG 117 2HG ARG 117 -21.751 -5.670 -5.670 900 2HG ARG 117 1HG ARG 117 -21.487 -4.760 -4.760 901 1HD ARG 117 2HD ARG 117 -22.048 -7.277 -7.277 902 2HD ARG 117 1HD ARG 117 -22.857 -6.154 -6.154 903 HE ARG 117 HE ARG 117 -24.839 -6.724 -6.724 904 1HH1 ARG 117 1HH2 ARG 117 -22.251 -7.584 -7.584 905 2HH1 ARG 117 2HH2 ARG 117 -23.292 -8.372 -8.372 906 1HH2 ARG 117 1HH1 ARG 117 -26.219 -7.760 -7.760 907 2HH2 ARG 117 2HH1 ARG 117 -25.548 -8.471 -8.471 908 H LYS 118 HN LYS 118 -20.706 -2.821 -2.821 909 HA LYS 118 HA LYS 118 -19.554 -1.715 -1.715 910 1HB LYS 118 2HB LYS 118 -19.638 -0.514 -0.514 911 2HB LYS 118 1HB LYS 118 -17.968 -0.931 -0.931 912 1HG LYS 118 2HG LYS 118 -18.521 0.205 0.205 913 2HG LYS 118 1HG LYS 118 -19.773 1.004 1.004 914 1HD LYS 118 2HD LYS 118 -16.919 0.919 0.919 915 2HD LYS 118 1HD LYS 118 -17.482 2.155 2.155 916 1HE LYS 118 2HE LYS 118 -19.099 1.709 1.709 917 2HE LYS 118 1HE LYS 118 -17.528 2.483 2.483 918 1HZ LYS 118 1HZ LYS 118 -19.144 3.538 3.538 919 2HZ LYS 118 3HZ LYS 118 -19.776 3.790 3.790 920 3HZ LYS 118 2HZ LYS 118 -18.227 4.352 4.352 921 H ASN 119 HN ASN 119 -17.215 -2.096 -2.096 922 HA ASN 119 HA ASN 119 -16.247 -4.437 -4.437 923 1HB ASN 119 2HB ASN 119 -16.158 -4.287 -4.287 924 2HB ASN 119 1HB ASN 119 -15.639 -5.630 -5.630 925 1HD2 ASN 119 2HD2 ASN 119 -19.487 -5.223 -5.223 926 2HD2 ASN 119 1HD2 ASN 119 -18.257 -4.100 -4.100 927 H LEU 120 HN LEU 120 -14.236 -4.119 -4.119 928 HA LEU 120 HA LEU 120 -12.619 -2.063 -2.063 929 1HB LEU 120 2HB LEU 120 -13.056 -2.815 -2.815 930 2HB LEU 120 1HB LEU 120 -11.352 -2.698 -2.698 931 HG LEU 120 HG LEU 120 -11.802 -0.391 -0.391 932 1HD1 LEU 120 1HD1 LEU 120 -14.520 -1.084 -1.084 933 2HD1 LEU 120 3HD1 LEU 120 -13.956 0.585 0.585 934 3HD1 LEU 120 2HD1 LEU 120 -14.047 -0.222 -0.222 935 1HD2 LEU 120 3HD2 LEU 120 -11.755 -1.302 -1.302 936 2HD2 LEU 120 2HD2 LEU 120 -10.889 0.032 0.032 937 3HD2 LEU 120 1HD2 LEU 120 -12.532 0.271 0.271 938 HA PRO 121 HA PRO 121 -10.179 -5.584 -5.584 939 1HB PRO 121 2HB PRO 121 -8.393 -4.166 -4.166 940 2HB PRO 121 1HB PRO 121 -10.031 -4.507 -4.507 941 1HG PRO 121 2HG PRO 121 -8.946 -2.021 -2.021 942 2HG PRO 121 1HG PRO 121 -10.021 -2.183 -2.183 943 1HD PRO 121 2HD PRO 121 -10.937 -1.567 -1.567 944 2HD PRO 121 1HD PRO 121 -11.889 -2.512 -2.512 945 H ILE 122 HN ILE 122 -8.452 -6.580 -6.580 946 HA ILE 122 HA ILE 122 -6.730 -4.979 -4.979 947 HB ILE 122 HB ILE 122 -6.904 -7.978 -7.978 948 1HG1 ILE 122 2HG1 ILE 122 -9.198 -7.073 -7.073 949 2HG1 ILE 122 1HG1 ILE 122 -8.639 -7.822 -7.822 950 1HG2 ILE 122 2HG2 ILE 122 -6.124 -5.879 -5.879 951 2HG2 ILE 122 1HG2 ILE 122 -6.271 -7.598 -7.598 952 3HG2 ILE 122 3HG2 ILE 122 -5.065 -7.041 -7.041 953 1HD1 ILE 122 1HD1 ILE 122 -7.978 -5.046 -5.046 954 2HD1 ILE 122 3HD1 ILE 122 -9.685 -5.245 -5.245 955 3HD1 ILE 122 2HD1 ILE 122 -9.032 -5.958 -5.958 956 H GLU 123 HN GLU 123 -4.568 -4.905 -4.905 957 HA GLU 123 HA GLU 123 -3.392 -6.578 -6.578 958 1HB GLU 123 2HB GLU 123 -3.445 -3.667 -3.667 959 2HB GLU 123 1HB GLU 123 -1.825 -4.311 -4.311 960 1HG GLU 123 2HG GLU 123 -2.994 -5.647 -5.647 961 2HG GLU 123 1HG GLU 123 -4.150 -4.317 -4.317 962 H TYR 124 HN TYR 124 -1.095 -6.966 -6.966 963 HA TYR 124 HA TYR 124 -0.190 -6.822 -6.822 964 1HB TYR 124 2HB TYR 124 0.175 -9.045 -9.045 965 2HB TYR 124 1HB TYR 124 1.051 -8.960 -8.960 966 HD1 TYR 124 1HD TYR 124 -2.289 -9.361 -9.361 967 HD2 TYR 124 2HD TYR 124 0.008 -9.566 -9.566 968 HE1 TYR 124 1HE TYR 124 -4.159 -10.490 -10.490 969 HE2 TYR 124 2HE TYR 124 -1.857 -10.695 -10.695 970 HH TYR 124 HH TYR 124 -4.357 -10.844 -10.844 971 H ASN 125 HN ASN 125 1.125 -5.068 -5.068 972 HA ASN 125 HA ASN 125 3.011 -4.733 -4.733 973 1HB ASN 125 2HB ASN 125 1.885 -2.842 -2.842 974 2HB ASN 125 1HB ASN 125 2.938 -3.226 -3.226 975 1HD2 ASN 125 2HD2 ASN 125 5.067 -0.808 -0.808 976 2HD2 ASN 125 1HD2 ASN 125 3.953 -1.238 -1.238 977 H LEU 126 HN LEU 126 4.164 -6.724 -6.724 978 HA LEU 126 HA LEU 126 5.538 -7.553 -7.553 979 1HB LEU 126 2HB LEU 126 6.089 -8.030 -8.030 980 2HB LEU 126 1HB LEU 126 6.998 -8.804 -8.804 981 HG LEU 126 HG LEU 126 4.009 -9.068 -9.068 982 1HD1 LEU 126 1HD1 LEU 126 5.732 -9.921 -9.921 983 2HD1 LEU 126 3HD1 LEU 126 5.462 -11.353 -11.353 984 3HD1 LEU 126 2HD1 LEU 126 4.089 -10.491 -10.491 985 1HD2 LEU 126 3HD2 LEU 126 6.246 -10.481 -10.481 986 2HD2 LEU 126 2HD2 LEU 126 4.747 -9.832 -9.832 987 3HD2 LEU 126 1HD2 LEU 126 4.717 -11.303 -11.303 988 1H ALA 1 2HN ALA 1 43.398 -3.607 -3.607 989 2H ALA 1 1HN ALA 1 44.886 -4.086 -4.086 990 3H ALA 1 3HN ALA 1 43.558 -5.169 -5.169 991 HA ALA 1 HA ALA 1 43.849 -4.229 -4.229 992 1HB ALA 1 2HB ALA 1 44.718 -2.018 -2.018 993 2HB ALA 1 1HB ALA 1 43.069 -1.523 -1.523 994 3HB ALA 1 3HB ALA 1 44.163 -2.034 -2.034 995 H GLN 2 HN GLN 2 42.002 -5.611 -5.611 996 HA GLN 2 HA GLN 2 39.540 -4.173 -4.173 997 1HB GLN 2 2HB GLN 2 38.246 -5.541 -5.541 998 2HB GLN 2 1HB GLN 2 39.396 -4.456 -4.456 999 1HG GLN 2 2HG GLN 2 40.927 -6.631 -6.631 1000 2HG GLN 2 1HG GLN 2 39.346 -7.407 -7.407 1001 1HE2 GLN 2 1HE2 GLN 2 41.067 -4.745 -4.745 1002 2HE2 GLN 2 2HE2 GLN 2 40.565 -5.160 -5.160 1003 H SER 3 HN SER 3 37.887 -5.465 -5.465 1004 HA SER 3 HA SER 3 39.004 -7.798 -7.798 1005 1HB SER 3 2HB SER 3 38.143 -5.887 -5.887 1006 2HB SER 3 1HB SER 3 36.535 -6.199 -6.199 1007 HG SER 3 HG SER 3 36.413 -7.495 -7.495 1008 H VAL 4 HN VAL 4 35.885 -6.727 -6.727 1009 HA VAL 4 HA VAL 4 35.472 -9.023 -9.023 1010 HB VAL 4 HB VAL 4 35.239 -10.237 -10.237 1011 1HG1 VAL 4 3HG1 VAL 4 33.218 -8.120 -8.120 1012 2HG1 VAL 4 2HG1 VAL 4 33.367 -9.652 -9.652 1013 3HG1 VAL 4 1HG1 VAL 4 34.714 -8.513 -8.513 1014 1HG2 VAL 4 1HG2 VAL 4 32.653 -9.740 -9.740 1015 2HG2 VAL 4 3HG2 VAL 4 33.811 -11.047 -11.047 1016 3HG2 VAL 4 2HG2 VAL 4 32.840 -10.998 -10.998 1017 HA PRO 5 HA PRO 5 32.558 -6.256 -6.256 1018 1HB PRO 5 2HB PRO 5 31.027 -8.737 -8.737 1019 2HB PRO 5 1HB PRO 5 31.559 -7.445 -7.445 1020 1HG PRO 5 2HG PRO 5 32.809 -9.794 -9.794 1021 2HG PRO 5 1HG PRO 5 33.717 -8.280 -8.280 1022 1HD PRO 5 2HD PRO 5 33.430 -10.056 -10.056 1023 2HD PRO 5 1HD PRO 5 34.835 -9.119 -9.119 1024 HA PRO 6 HA PRO 6 29.378 -5.811 -5.811 1025 1HB PRO 6 2HB PRO 6 27.764 -4.056 -4.056 1026 2HB PRO 6 1HB PRO 6 29.331 -3.590 -3.590 1027 1HG PRO 6 2HG PRO 6 28.608 -4.258 -4.258 1028 2HG PRO 6 1HG PRO 6 29.625 -2.941 -2.941 1029 1HD PRO 6 2HD PRO 6 30.654 -5.230 -5.230 1030 2HD PRO 6 1HD PRO 6 31.461 -4.307 -4.307 1031 H GLY 7 HN GLY 7 28.223 -7.669 -7.669 1032 1HA GLY 7 2HA GLY 7 26.734 -8.962 -8.962 1033 2HA GLY 7 1HA GLY 7 26.511 -9.174 -9.174 1034 H ASP 8 HN ASP 8 24.805 -8.626 -8.626 1035 HA ASP 8 HA ASP 8 23.349 -6.290 -6.290 1036 1HB ASP 8 2HB ASP 8 22.258 -8.940 -8.940 1037 2HB ASP 8 1HB ASP 8 21.602 -7.343 -7.343 1038 H ILE 9 HN ILE 9 21.907 -5.605 -5.605 1039 HA ILE 9 HA ILE 9 21.155 -7.386 -7.386 1040 HB ILE 9 HB ILE 9 20.230 -5.338 -5.338 1041 1HG1 ILE 9 2HG1 ILE 9 21.561 -3.476 -3.476 1042 2HG1 ILE 9 1HG1 ILE 9 20.260 -4.347 -4.347 1043 1HG2 ILE 9 2HG2 ILE 9 22.922 -6.030 -6.030 1044 2HG2 ILE 9 1HG2 ILE 9 22.827 -4.272 -4.272 1045 3HG2 ILE 9 3HG2 ILE 9 22.244 -5.117 -5.117 1046 1HD1 ILE 9 2HD1 ILE 9 19.562 -3.313 -3.313 1047 2HD1 ILE 9 1HD1 ILE 9 19.955 -2.078 -2.078 1048 3HD1 ILE 9 3HD1 ILE 9 18.675 -3.246 -3.246 1049 H ASN 10 HN ASN 10 19.112 -8.048 -8.048 1050 HA ASN 10 HA ASN 10 17.181 -7.985 -7.985 1051 1HB ASN 10 2HB ASN 10 17.677 -9.592 -9.592 1052 2HB ASN 10 1HB ASN 10 16.069 -8.909 -8.909 1053 1HD2 ASN 10 2HD2 ASN 10 16.676 -11.105 -11.105 1054 2HD2 ASN 10 1HD2 ASN 10 17.879 -9.995 -9.995 1055 H THR 11 HN THR 11 15.087 -7.084 -7.084 1056 HA THR 11 HA THR 11 14.491 -5.184 -5.184 1057 HB THR 11 HB THR 11 13.828 -3.567 -3.567 1058 HG1 THR 11 1HG THR 11 15.435 -3.718 -3.718 1059 1HG2 THR 11 1HG2 THR 11 15.587 -3.261 -3.261 1060 2HG2 THR 11 3HG2 THR 11 16.747 -3.682 -3.682 1061 3HG2 THR 11 2HG2 THR 11 15.696 -2.280 -2.280 1062 H GLN 12 HN GLN 12 12.304 -4.604 -4.604 1063 HA GLN 12 HA GLN 12 10.424 -5.861 -5.861 1064 1HB GLN 12 2HB GLN 12 10.608 -6.452 -6.452 1065 2HB GLN 12 1HB GLN 12 9.117 -6.687 -6.687 1066 1HG GLN 12 2HG GLN 12 11.508 -7.909 -7.909 1067 2HG GLN 12 1HG GLN 12 11.002 -8.581 -8.581 1068 1HE2 GLN 12 2HE2 GLN 12 8.666 -10.591 -10.591 1069 2HE2 GLN 12 1HE2 GLN 12 9.885 -10.359 -10.359 1070 HA PRO 13 HA PRO 13 8.856 -5.111 -5.111 1071 1HB PRO 13 2HB PRO 13 8.880 -2.866 -2.866 1072 2HB PRO 13 1HB PRO 13 7.427 -3.545 -3.545 1073 1HG PRO 13 2HG PRO 13 9.134 -1.265 -1.265 1074 2HG PRO 13 1HG PRO 13 7.365 -1.406 -1.406 1075 1HD PRO 13 2HD PRO 13 8.773 -1.743 -1.743 1076 2HD PRO 13 1HD PRO 13 7.324 -2.712 -2.712 1077 H SER 14 HN SER 14 10.269 -5.505 -5.505 1078 HA SER 14 HA SER 14 12.999 -5.278 -5.278 1079 1HB SER 14 2HB SER 14 11.521 -5.926 -5.926 1080 2HB SER 14 1HB SER 14 13.279 -5.987 -5.987 1081 HG SER 14 HG SER 14 12.295 -8.024 -8.024 1082 H GLN 15 HN GLN 15 11.060 -3.553 -3.553 1083 HA GLN 15 HA GLN 15 12.617 -1.164 -1.164 1084 1HB GLN 15 2HB GLN 15 13.459 -3.026 -3.026 1085 2HB GLN 15 1HB GLN 15 12.738 -1.668 -1.668 1086 1HG GLN 15 2HG GLN 15 14.215 -0.154 -0.154 1087 2HG GLN 15 1HG GLN 15 15.015 -1.589 -1.589 1088 1HE2 GLN 15 2HE2 GLN 15 15.596 -0.450 -0.450 1089 2HE2 GLN 15 1HE2 GLN 15 14.228 0.111 0.111 1090 H LYS 16 HN LYS 16 9.889 -1.756 -1.756 1091 HA LYS 16 HA LYS 16 8.745 0.312 0.312 1092 1HB LYS 16 2HB LYS 16 6.877 -1.235 -1.235 1093 2HB LYS 16 1HB LYS 16 8.422 -1.283 -1.283 1094 1HG LYS 16 2HG LYS 16 8.847 -3.227 -3.227 1095 2HG LYS 16 1HG LYS 16 7.091 -3.337 -3.337 1096 1HD LYS 16 2HD LYS 16 7.296 -3.544 -3.544 1097 2HD LYS 16 1HD LYS 16 9.053 -3.448 -3.448 1098 1HE LYS 16 2HE LYS 16 8.943 -5.692 -5.692 1099 2HE LYS 16 1HE LYS 16 8.498 -5.453 -5.453 1100 1HZ LYS 16 1HZ LYS 16 6.511 -5.616 -5.616 1101 2HZ LYS 16 3HZ LYS 16 7.006 -6.959 -6.959 1102 3HZ LYS 16 2HZ LYS 16 6.216 -5.672 -5.672 1103 H ILE 17 HN ILE 17 7.720 1.399 1.399 1104 HA ILE 17 HA ILE 17 5.929 -0.082 -0.082 1105 HB ILE 17 HB ILE 17 7.893 0.561 0.561 1106 1HG1 ILE 17 2HG1 ILE 17 5.663 2.458 2.458 1107 2HG1 ILE 17 1HG1 ILE 17 5.530 0.716 0.716 1108 1HG2 ILE 17 1HG2 ILE 17 7.754 2.912 2.912 1109 2HG2 ILE 17 3HG2 ILE 17 7.646 3.381 3.381 1110 3HG2 ILE 17 2HG2 ILE 17 9.013 2.419 2.419 1111 1HD1 ILE 17 1HD1 ILE 17 7.942 1.939 1.939 1112 2HD1 ILE 17 3HD1 ILE 17 6.417 2.422 2.422 1113 3HD1 ILE 17 2HD1 ILE 17 6.859 0.717 0.717 1114 H VAL 18 HN VAL 18 3.919 0.736 0.736 1115 HA VAL 18 HA VAL 18 3.413 3.440 3.440 1116 HB VAL 18 HB VAL 18 2.715 1.907 1.907 1117 1HG1 VAL 18 1HG1 VAL 18 2.412 -0.001 -0.001 1118 2HG1 VAL 18 3HG1 VAL 18 0.763 0.608 0.608 1119 3HG1 VAL 18 2HG1 VAL 18 1.354 0.047 0.047 1120 1HG2 VAL 18 3HG2 VAL 18 1.223 3.903 3.903 1121 2HG2 VAL 18 2HG2 VAL 18 0.657 2.828 2.828 1122 3HG2 VAL 18 1HG2 VAL 18 0.101 2.597 2.597 1123 H PHE 19 HN PHE 19 2.755 4.607 4.607 1124 HA PHE 19 HA PHE 19 1.679 3.609 3.609 1125 1HB PHE 19 2HB PHE 19 1.402 6.354 6.354 1126 2HB PHE 19 1HB PHE 19 0.935 5.965 5.965 1127 HD1 PHE 19 2HD PHE 19 3.209 4.145 4.145 1128 HD2 PHE 19 1HD PHE 19 3.121 7.901 7.901 1129 HE1 PHE 19 2HE PHE 19 5.508 4.595 4.595 1130 HE2 PHE 19 1HE PHE 19 5.419 8.357 8.357 1131 HZ PHE 19 HZ PHE 19 6.616 6.704 6.704 1132 H ASN 20 HN ASN 20 -0.502 3.740 3.740 1133 HA ASN 20 HA ASN 20 -2.517 3.537 3.537 1134 1HB ASN 20 2HB ASN 20 -1.841 1.470 1.470 1135 2HB ASN 20 1HB ASN 20 -2.906 2.225 2.225 1136 1HD2 ASN 20 2HD2 ASN 20 -5.851 1.320 1.320 1137 2HD2 ASN 20 1HD2 ASN 20 -5.080 2.183 2.183 1138 H ALA 21 HN ALA 21 -3.981 5.086 5.086 1139 HA ALA 21 HA ALA 21 -4.202 7.161 7.161 1140 1HB ALA 21 3HB ALA 21 -5.502 6.381 6.381 1141 2HB ALA 21 2HB ALA 21 -6.783 6.574 6.574 1142 3HB ALA 21 1HB ALA 21 -5.683 7.911 7.911 1143 HA PRO 22 HA PRO 22 -6.557 8.379 8.379 1144 1HB PRO 22 2HB PRO 22 -7.170 9.716 9.716 1145 2HB PRO 22 1HB PRO 22 -8.354 8.729 8.729 1146 1HG PRO 22 2HG PRO 22 -6.740 8.054 8.054 1147 2HG PRO 22 1HG PRO 22 -8.457 7.745 7.745 1148 1HD PRO 22 2HD PRO 22 -6.539 5.843 5.843 1149 2HD PRO 22 1HD PRO 22 -8.008 5.882 5.882 1150 H TYR 23 HN TYR 23 -5.482 10.438 10.438 1151 HA TYR 23 HA TYR 23 -2.876 10.153 10.153 1152 1HB TYR 23 2HB TYR 23 -3.613 11.811 11.811 1153 2HB TYR 23 1HB TYR 23 -2.018 11.758 11.758 1154 HD1 TYR 23 2HD TYR 23 -1.709 8.899 8.899 1155 HD2 TYR 23 1HD TYR 23 -3.326 10.846 10.846 1156 HE1 TYR 23 2HE TYR 23 -1.127 6.951 6.951 1157 HE2 TYR 23 1HE TYR 23 -2.748 8.901 8.901 1158 HH TYR 23 HH TYR 23 -2.057 5.947 5.947 1159 H ASP 24 HN ASP 24 -5.233 11.051 11.051 1160 HA ASP 24 HA ASP 24 -4.655 13.903 13.903 1161 1HB ASP 24 2HB ASP 24 -7.086 12.435 12.435 1162 2HB ASP 24 1HB ASP 24 -6.861 14.172 14.172 1163 H ASP 25 HN ASP 25 -3.680 11.069 11.069 1164 HA ASP 25 HA ASP 25 -3.248 12.244 12.244 1165 1HB ASP 25 2HB ASP 25 -4.900 9.857 9.857 1166 2HB ASP 25 1HB ASP 25 -3.721 9.675 9.675 1167 H LYS 26 HN LYS 26 -1.235 11.906 11.906 1168 HA LYS 26 HA LYS 26 0.779 10.891 10.891 1169 1HB LYS 26 2HB LYS 26 2.087 10.710 10.710 1170 2HB LYS 26 1HB LYS 26 1.432 12.289 12.289 1171 1HG LYS 26 2HG LYS 26 -0.189 12.195 12.195 1172 2HG LYS 26 1HG LYS 26 -0.116 10.436 10.436 1173 1HD LYS 26 2HD LYS 26 0.906 11.576 11.576 1174 2HD LYS 26 1HD LYS 26 2.044 10.550 10.550 1175 1HE LYS 26 2HE LYS 26 3.160 12.592 12.592 1176 2HE LYS 26 1HE LYS 26 2.826 12.590 12.590 1177 1HZ LYS 26 3HZ LYS 26 0.755 13.790 13.790 1178 2HZ LYS 26 2HZ LYS 26 2.234 14.608 14.608 1179 3HZ LYS 26 1HZ LYS 26 1.476 14.345 14.345 1180 H HIS 27 HN HIS 27 1.326 8.918 8.918 1181 HA HIS 27 HA HIS 27 0.508 6.640 6.640 1182 1HB HIS 27 2HB HIS 27 0.604 6.912 6.912 1183 2HB HIS 27 1HB HIS 27 0.547 5.343 5.343 1184 HD1 HIS 27 1HD HIS 27 -1.597 5.597 5.597 1185 HD2 HIS 27 2HD HIS 27 -1.862 7.447 7.447 1186 HE1 HIS 27 1HE HIS 27 -4.056 6.021 6.021 1187 H THR 28 HN THR 28 1.945 4.870 4.870 1188 HA THR 28 HA THR 28 4.698 5.461 5.461 1189 HB THR 28 HB THR 28 4.002 3.987 3.987 1190 HG1 THR 28 1HG THR 28 3.229 6.010 6.010 1191 1HG2 THR 28 1HG2 THR 28 6.393 4.164 4.164 1192 2HG2 THR 28 3HG2 THR 28 6.469 5.542 5.542 1193 3HG2 THR 28 2HG2 THR 28 6.181 3.923 3.923 1194 H TYR 29 HN TYR 29 5.191 4.079 4.079 1195 HA TYR 29 HA TYR 29 4.156 1.339 1.339 1196 1HB TYR 29 2HB TYR 29 5.621 2.706 2.706 1197 2HB TYR 29 1HB TYR 29 4.763 1.169 1.169 1198 HD1 TYR 29 1HD TYR 29 4.223 4.798 4.798 1199 HD2 TYR 29 2HD TYR 29 2.521 1.119 1.119 1200 HE1 TYR 29 1HE TYR 29 2.172 5.985 5.985 1201 HE2 TYR 29 2HE TYR 29 0.465 2.295 2.295 1202 HH TYR 29 HH TYR 29 -0.690 4.558 4.558 1203 H HIS 30 HN HIS 30 5.404 -0.151 -0.151 1204 HA HIS 30 HA HIS 30 8.215 0.314 0.314 1205 1HB HIS 30 2HB HIS 30 6.272 -1.814 -1.814 1206 2HB HIS 30 1HB HIS 30 8.002 -2.109 -2.109 1207 HD1 HIS 30 1HD HIS 30 7.330 -2.209 -2.209 1208 HD2 HIS 30 2HD HIS 30 7.178 1.503 1.503 1209 HE1 HIS 30 1HE HIS 30 7.330 -0.486 -0.486 1210 H ILE 31 HN ILE 31 9.872 -0.447 -0.447 1211 HA ILE 31 HA ILE 31 9.302 -2.347 -2.347 1212 HB ILE 31 HB ILE 31 11.695 -0.523 -0.523 1213 1HG1 ILE 31 2HG1 ILE 31 9.031 0.025 0.025 1214 2HG1 ILE 31 1HG1 ILE 31 9.655 0.859 0.859 1215 1HG2 ILE 31 1HG2 ILE 31 11.523 -2.588 -2.588 1216 2HG2 ILE 31 3HG2 ILE 31 10.355 -1.637 -1.637 1217 3HG2 ILE 31 2HG2 ILE 31 12.009 -1.056 -1.056 1218 1HD1 ILE 31 1HD1 ILE 31 11.345 0.866 0.866 1219 2HD1 ILE 31 3HD1 ILE 31 9.877 1.843 1.843 1220 3HD1 ILE 31 2HD1 ILE 31 11.100 2.115 2.115 1221 H LYS 32 HN LYS 32 10.625 -4.134 -4.134 1222 HA LYS 32 HA LYS 32 12.298 -4.788 -4.788 1223 1HB LYS 32 2HB LYS 32 10.334 -6.239 -6.239 1224 2HB LYS 32 1HB LYS 32 11.769 -6.893 -6.893 1225 1HG LYS 32 2HG LYS 32 12.350 -8.037 -8.037 1226 2HG LYS 32 1HG LYS 32 12.093 -6.647 -6.647 1227 1HD LYS 32 2HD LYS 32 9.588 -7.713 -7.713 1228 2HD LYS 32 1HD LYS 32 10.533 -8.947 -8.947 1229 1HE LYS 32 2HE LYS 32 10.789 -7.385 -7.385 1230 2HE LYS 32 1HE LYS 32 9.728 -6.248 -6.248 1231 1HZ LYS 32 1HZ LYS 32 8.143 -8.301 -8.301 1232 2HZ LYS 32 3HZ LYS 32 9.077 -8.815 -8.815 1233 3HZ LYS 32 2HZ LYS 32 8.251 -7.340 -7.340 1234 H ILE 33 HN ILE 33 14.427 -5.056 -5.056 1235 HA ILE 33 HA ILE 33 15.676 -5.184 -5.184 1236 HB ILE 33 HB ILE 33 16.774 -3.686 -3.686 1237 1HG1 ILE 33 2HG1 ILE 33 15.664 -2.580 -2.580 1238 2HG1 ILE 33 1HG1 ILE 33 14.788 -2.600 -2.600 1239 1HG2 ILE 33 1HG2 ILE 33 17.773 -4.066 -4.066 1240 2HG2 ILE 33 3HG2 ILE 33 18.392 -2.828 -2.828 1241 3HG2 ILE 33 2HG2 ILE 33 18.565 -4.535 -4.535 1242 1HD1 ILE 33 3HD1 ILE 33 16.829 -1.305 -1.305 1243 2HD1 ILE 33 2HD1 ILE 33 17.163 -0.981 -0.981 1244 3HD1 ILE 33 1HD1 ILE 33 15.636 -0.460 -0.460 1245 H THR 34 HN THR 34 17.710 -6.294 -6.294 1246 HA THR 34 HA THR 34 18.571 -7.775 -7.775 1247 HB THR 34 HB THR 34 17.440 -9.159 -9.159 1248 HG1 THR 34 1HG THR 34 15.910 -9.846 -9.846 1249 1HG2 THR 34 3HG2 THR 34 19.513 -10.274 -10.274 1250 2HG2 THR 34 2HG2 THR 34 18.808 -10.452 -10.452 1251 3HG2 THR 34 1HG2 THR 34 18.069 -11.262 -11.262 1252 H ASN 35 HN ASN 35 20.573 -8.897 -8.897 1253 HA ASN 35 HA ASN 35 22.168 -7.733 -7.733 1254 1HB ASN 35 2HB ASN 35 22.825 -7.262 -7.262 1255 2HB ASN 35 1HB ASN 35 23.198 -8.975 -8.975 1256 1HD2 ASN 35 2HD2 ASN 35 26.426 -7.703 -7.703 1257 2HD2 ASN 35 1HD2 ASN 35 25.319 -7.996 -7.996 1258 H ALA 36 HN ALA 36 22.345 -9.088 -9.088 1259 HA ALA 36 HA ALA 36 22.419 -11.970 -11.970 1260 1HB ALA 36 2HB ALA 36 21.034 -10.645 -10.645 1261 2HB ALA 36 1HB ALA 36 22.529 -10.822 -10.822 1262 3HB ALA 36 3HB ALA 36 21.686 -12.251 -12.251 1263 H GLY 37 HN GLY 37 24.688 -10.021 -10.021 1264 1HA GLY 37 2HA GLY 37 26.690 -11.133 -11.133 1265 2HA GLY 37 1HA GLY 37 26.897 -9.680 -9.680 1266 H GLY 38 HN GLY 38 28.788 -10.301 -10.301 1267 1HA GLY 38 2HA GLY 38 28.499 -12.525 -12.525 1268 2HA GLY 38 1HA GLY 38 29.974 -12.311 -12.311 1269 H ARG 39 HN ARG 39 30.135 -9.485 -9.485 1270 HA ARG 39 HA ARG 39 30.910 -9.227 -9.227 1271 1HB ARG 39 2HB ARG 39 31.794 -7.521 -7.521 1272 2HB ARG 39 1HB ARG 39 32.476 -7.536 -7.536 1273 1HG ARG 39 2HG ARG 39 32.482 -10.025 -10.025 1274 2HG ARG 39 1HG ARG 39 33.698 -8.772 -8.772 1275 1HD ARG 39 2HD ARG 39 33.126 -10.059 -10.059 1276 2HD ARG 39 1HD ARG 39 34.411 -10.568 -10.568 1277 HE ARG 39 HE ARG 39 34.657 -7.812 -7.812 1278 1HH1 ARG 39 1HH2 ARG 39 35.038 -10.893 -10.893 1279 2HH1 ARG 39 2HH2 ARG 39 36.256 -10.328 -10.328 1280 1HH2 ARG 39 1HH1 ARG 39 36.260 -7.057 -7.057 1281 2HH2 ARG 39 2HH1 ARG 39 36.949 -8.147 -8.147 1282 H ARG 40 HN ARG 40 30.643 -7.118 -7.118 1283 HA ARG 40 HA ARG 40 28.040 -6.194 -6.194 1284 1HB ARG 40 2HB ARG 40 30.563 -4.761 -4.761 1285 2HB ARG 40 1HB ARG 40 28.940 -4.190 -4.190 1286 1HG ARG 40 2HG ARG 40 28.685 -5.624 -5.624 1287 2HG ARG 40 1HG ARG 40 29.398 -6.962 -6.962 1288 1HD ARG 40 2HD ARG 40 30.938 -4.741 -4.741 1289 2HD ARG 40 1HD ARG 40 30.713 -6.362 -6.362 1290 HE ARG 40 HE ARG 40 32.521 -5.568 -5.568 1291 1HH1 ARG 40 1HH2 ARG 40 30.780 -8.207 -8.207 1292 2HH1 ARG 40 2HH2 ARG 40 31.850 -9.423 -9.423 1293 1HH2 ARG 40 1HH1 ARG 40 33.937 -7.162 -7.162 1294 2HH2 ARG 40 2HH1 ARG 40 33.645 -8.829 -8.829 1295 H ILE 41 HN ILE 41 27.166 -4.094 -4.094 1296 HA ILE 41 HA ILE 41 28.549 -2.708 -2.708 1297 HB ILE 41 HB ILE 41 26.471 -2.843 -2.843 1298 1HG1 ILE 41 2HG1 ILE 41 25.863 -5.432 -5.432 1299 2HG1 ILE 41 1HG1 ILE 41 25.236 -3.949 -3.949 1300 1HG2 ILE 41 3HG2 ILE 41 28.642 -4.070 -4.070 1301 2HG2 ILE 41 2HG2 ILE 41 27.873 -5.476 -5.476 1302 3HG2 ILE 41 1HG2 ILE 41 27.219 -4.792 -4.792 1303 1HD1 ILE 41 2HD1 ILE 41 24.784 -4.717 -4.717 1304 2HD1 ILE 41 1HD1 ILE 41 23.685 -5.142 -5.142 1305 3HD1 ILE 41 3HD1 ILE 41 23.981 -3.447 -3.447 1306 H GLY 42 HN GLY 42 28.375 -0.622 -0.622 1307 1HA GLY 42 2HA GLY 42 26.249 0.353 0.353 1308 2HA GLY 42 1HA GLY 42 27.591 1.293 1.293 1309 H TRP 43 HN TRP 43 24.316 0.900 0.900 1310 HA TRP 43 HA TRP 43 24.167 1.955 1.955 1311 1HB TRP 43 2HB TRP 43 21.790 1.173 1.173 1312 2HB TRP 43 1HB TRP 43 22.974 -0.125 -0.125 1313 HD1 TRP 43 1HD TRP 43 23.350 -1.127 -1.127 1314 HE1 TRP 43 1HE TRP 43 21.618 -1.438 -1.438 1315 HE3 TRP 43 3HE TRP 43 19.725 2.052 2.052 1316 HZ2 TRP 43 2HZ TRP 43 19.054 -0.467 -0.467 1317 HZ3 TRP 43 3HZ TRP 43 17.663 2.303 2.303 1318 HH2 TRP 43 2HH TRP 43 17.335 1.069 1.069 1319 H ALA 44 HN ALA 44 22.636 3.604 3.604 1320 HA ALA 44 HA ALA 44 21.586 5.109 5.109 1321 1HB ALA 44 1HB ALA 44 23.868 5.903 5.903 1322 2HB ALA 44 3HB ALA 44 22.556 7.068 7.068 1323 3HB ALA 44 2HB ALA 44 23.166 6.670 6.670 1324 H ILE 45 HN ILE 45 19.934 6.646 6.646 1325 HA ILE 45 HA ILE 45 18.694 5.992 5.992 1326 HB ILE 45 HB ILE 45 17.201 6.844 6.844 1327 1HG1 ILE 45 2HG1 ILE 45 16.499 4.367 4.367 1328 2HG1 ILE 45 1HG1 ILE 45 17.913 4.098 4.098 1329 1HG2 ILE 45 3HG2 ILE 45 16.402 5.825 5.825 1330 2HG2 ILE 45 2HG2 ILE 45 15.317 5.725 5.725 1331 3HG2 ILE 45 1HG2 ILE 45 15.887 7.297 7.297 1332 1HD1 ILE 45 2HD1 ILE 45 18.642 5.643 5.643 1333 2HD1 ILE 45 1HD1 ILE 45 17.788 4.181 4.181 1334 3HD1 ILE 45 3HD1 ILE 45 19.225 4.061 4.061 1335 H LYS 46 HN LYS 46 17.687 7.617 7.617 1336 HA LYS 46 HA LYS 46 17.827 10.356 10.356 1337 1HB LYS 46 2HB LYS 46 19.161 9.438 9.438 1338 2HB LYS 46 1HB LYS 46 18.900 11.121 11.121 1339 1HG LYS 46 2HG LYS 46 20.394 10.974 10.974 1340 2HG LYS 46 1HG LYS 46 20.476 9.216 9.216 1341 1HD LYS 46 2HD LYS 46 22.455 9.874 9.874 1342 2HD LYS 46 1HD LYS 46 21.375 9.679 9.679 1343 1HE LYS 46 2HE LYS 46 20.881 12.157 12.157 1344 2HE LYS 46 1HE LYS 46 22.240 12.229 12.229 1345 1HZ LYS 46 2HZ LYS 46 22.449 11.198 11.198 1346 2HZ LYS 46 1HZ LYS 46 22.800 12.794 12.794 1347 3HZ LYS 46 3HZ LYS 46 23.718 11.521 11.521 1348 H THR 47 HN THR 47 16.092 11.506 11.506 1349 HA THR 47 HA THR 47 14.375 10.361 10.361 1350 HB THR 47 HB THR 47 12.475 11.378 11.378 1351 HG1 THR 47 1HG THR 47 13.307 13.149 13.149 1352 1HG2 THR 47 3HG2 THR 47 13.783 9.174 9.174 1353 2HG2 THR 47 2HG2 THR 47 13.708 10.162 10.162 1354 3HG2 THR 47 1HG2 THR 47 12.225 9.742 9.742 1355 H THR 48 HN THR 48 13.321 11.763 11.763 1356 HA THR 48 HA THR 48 14.815 13.821 13.821 1357 HB THR 48 HB THR 48 12.406 14.543 14.543 1358 HG1 THR 48 1HG THR 48 11.108 13.323 13.323 1359 1HG2 THR 48 2HG2 THR 48 14.143 12.276 12.276 1360 2HG2 THR 48 1HG2 THR 48 12.529 12.341 12.341 1361 3HG2 THR 48 3HG2 THR 48 13.644 13.690 13.690 1362 H ASN 49 HN ASN 49 12.317 13.939 13.939 1363 HA ASN 49 HA ASN 49 13.103 16.700 16.700 1364 1HB ASN 49 2HB ASN 49 10.313 15.697 15.697 1365 2HB ASN 49 1HB ASN 49 10.603 17.106 17.106 1366 1HD2 ASN 49 2HD2 ASN 49 12.024 18.972 18.972 1367 2HD2 ASN 49 1HD2 ASN 49 12.464 18.517 18.517 1368 H MET 50 HN MET 50 13.824 16.719 16.719 1369 HA MET 50 HA MET 50 12.850 14.739 14.739 1370 1HB MET 50 2HB MET 50 15.193 16.627 16.627 1371 2HB MET 50 1HB MET 50 14.704 15.798 15.798 1372 1HG MET 50 2HG MET 50 15.459 14.441 14.441 1373 2HG MET 50 1HG MET 50 16.528 14.662 14.662 1374 1HE MET 50 3HE MET 50 15.478 14.025 14.025 1375 2HE MET 50 2HE MET 50 15.206 12.293 12.293 1376 3HE MET 50 1HE MET 50 16.702 12.877 12.877 1377 H ARG 51 HN ARG 51 11.329 17.189 17.189 1378 HA ARG 51 HA ARG 51 11.033 18.561 18.561 1379 1HB ARG 51 2HB ARG 51 9.610 20.155 20.155 1380 2HB ARG 51 1HB ARG 51 11.358 20.199 20.199 1381 1HG ARG 51 2HG ARG 51 11.203 18.819 18.819 1382 2HG ARG 51 1HG ARG 51 9.451 18.737 18.737 1383 1HD ARG 51 2HD ARG 51 10.500 20.461 20.461 1384 2HD ARG 51 1HD ARG 51 9.153 20.942 20.942 1385 HE ARG 51 HE ARG 51 11.904 21.840 21.840 1386 1HH1 ARG 51 1HH2 ARG 51 8.777 21.676 21.676 1387 2HH1 ARG 51 2HH2 ARG 51 9.095 23.010 23.010 1388 1HH2 ARG 51 1HH1 ARG 51 12.317 23.593 23.593 1389 2HH2 ARG 51 2HH1 ARG 51 11.102 24.099 24.099 1390 H ARG 52 HN ARG 52 9.278 16.779 16.779 1391 HA ARG 52 HA ARG 52 6.861 16.831 16.831 1392 1HB ARG 52 2HB ARG 52 7.055 17.281 17.281 1393 2HB ARG 52 1HB ARG 52 6.852 15.535 15.535 1394 1HG ARG 52 2HG ARG 52 4.723 15.630 15.630 1395 2HG ARG 52 1HG ARG 52 4.978 17.234 17.234 1396 1HD ARG 52 2HD ARG 52 3.482 17.067 17.067 1397 2HD ARG 52 1HD ARG 52 4.753 18.289 18.289 1398 HE ARG 52 HE ARG 52 5.769 17.169 17.169 1399 1HH1 ARG 52 1HH2 ARG 52 3.363 15.110 15.110 1400 2HH1 ARG 52 2HH2 ARG 52 3.472 13.897 13.897 1401 1HH2 ARG 52 1HH1 ARG 52 5.920 15.579 15.579 1402 2HH2 ARG 52 2HH1 ARG 52 4.927 14.162 14.162 1403 H LEU 53 HN LEU 53 9.351 14.737 14.737 1404 HA LEU 53 HA LEU 53 7.995 12.412 12.412 1405 1HB LEU 53 2HB LEU 53 10.311 12.394 12.394 1406 2HB LEU 53 1HB LEU 53 9.369 11.014 11.014 1407 HG LEU 53 HG LEU 53 7.666 13.013 13.013 1408 1HD1 LEU 53 2HD1 LEU 53 10.110 13.098 13.098 1409 2HD1 LEU 53 1HD1 LEU 53 9.348 11.809 11.809 1410 3HD1 LEU 53 3HD1 LEU 53 8.598 13.402 13.402 1411 1HD2 LEU 53 3HD2 LEU 53 8.329 10.152 10.152 1412 2HD2 LEU 53 2HD2 LEU 53 7.024 10.699 10.699 1413 3HD2 LEU 53 1HD2 LEU 53 6.988 11.082 11.082 1414 H SER 54 HN SER 54 9.167 11.004 11.004 1415 HA SER 54 HA SER 54 11.799 11.883 11.883 1416 1HB SER 54 2HB SER 54 10.316 11.185 11.185 1417 2HB SER 54 1HB SER 54 11.079 12.726 12.726 1418 HG SER 54 HG SER 54 9.173 13.330 13.330 1419 H VAL 55 HN VAL 55 12.990 10.124 10.124 1420 HA VAL 55 HA VAL 55 11.840 7.485 7.485 1421 HB VAL 55 HB VAL 55 14.079 6.740 6.740 1422 1HG1 VAL 55 1HG1 VAL 55 11.860 8.088 8.088 1423 2HG1 VAL 55 3HG1 VAL 55 13.163 7.223 7.223 1424 3HG1 VAL 55 2HG1 VAL 55 12.098 6.366 6.366 1425 1HG2 VAL 55 2HG2 VAL 55 14.813 9.286 9.286 1426 2HG2 VAL 55 1HG2 VAL 55 15.420 8.228 8.228 1427 3HG2 VAL 55 3HG2 VAL 55 14.096 9.344 9.344 1428 H ASP 56 HN ASP 56 12.759 6.024 6.024 1429 HA ASP 56 HA ASP 56 15.167 6.654 6.654 1430 1HB ASP 56 2HB ASP 56 12.473 6.874 6.874 1431 2HB ASP 56 1HB ASP 56 13.931 6.522 6.522 1432 HA PRO 57 HA PRO 57 16.448 5.787 5.787 1433 1HB PRO 57 2HB PRO 57 18.517 4.074 4.074 1434 2HB PRO 57 1HB PRO 57 17.402 4.003 4.003 1435 1HG PRO 57 2HG PRO 57 17.453 2.340 2.340 1436 2HG PRO 57 1HG PRO 57 17.198 1.832 1.832 1437 1HD PRO 57 2HD PRO 57 15.161 2.184 2.184 1438 2HD PRO 57 1HD PRO 57 14.981 2.443 2.443 1439 HA PRO 58 HA PRO 58 17.812 7.072 7.072 1440 1HB PRO 58 2HB PRO 58 19.579 8.968 8.968 1441 2HB PRO 58 1HB PRO 58 17.836 9.183 9.183 1442 1HG PRO 58 2HG PRO 58 19.899 8.398 8.398 1443 2HG PRO 58 1HG PRO 58 18.551 9.538 9.538 1444 1HD PRO 58 2HD PRO 58 18.471 6.972 6.972 1445 2HD PRO 58 1HD PRO 58 17.031 7.872 7.872 1446 H CYS 59 HN CYS 59 19.731 5.359 5.359 1447 HA CYS 59 HA CYS 59 21.477 4.414 4.414 1448 1HB CYS 59 2HB CYS 59 23.603 5.295 5.295 1449 2HB CYS 59 1HB CYS 59 22.557 6.590 6.590 1450 HG CYS 59 HG CYS 59 22.235 6.271 6.271 1451 H GLY 60 HN GLY 60 23.074 2.856 2.856 1452 1HA GLY 60 2HA GLY 60 23.345 2.085 2.085 1453 2HA GLY 60 1HA GLY 60 21.895 1.274 1.274 1454 H VAL 61 HN VAL 61 24.250 -0.029 -0.029 1455 HA VAL 61 HA VAL 61 25.535 -1.015 -1.015 1456 HB VAL 61 HB VAL 61 26.107 -1.841 -1.841 1457 1HG1 VAL 61 3HG1 VAL 61 26.894 -3.326 -3.326 1458 2HG1 VAL 61 2HG1 VAL 61 27.856 -1.979 -1.979 1459 3HG1 VAL 61 1HG1 VAL 61 28.192 -2.652 -2.652 1460 1HG2 VAL 61 1HG2 VAL 61 26.347 0.672 0.672 1461 2HG2 VAL 61 3HG2 VAL 61 27.666 -0.145 -0.145 1462 3HG2 VAL 61 2HG2 VAL 61 27.766 0.138 0.138 1463 H LEU 62 HN LEU 62 25.158 -2.977 -2.977 1464 HA LEU 62 HA LEU 62 23.167 -4.675 -4.675 1465 1HB LEU 62 2HB LEU 62 23.048 -3.598 -3.598 1466 2HB LEU 62 1HB LEU 62 23.754 -5.163 -5.163 1467 HG LEU 62 HG LEU 62 21.865 -6.307 -6.307 1468 1HD1 LEU 62 1HD1 LEU 62 21.235 -3.609 -3.609 1469 2HD1 LEU 62 3HD1 LEU 62 19.880 -4.647 -4.647 1470 3HD1 LEU 62 2HD1 LEU 62 21.051 -5.195 -5.195 1471 1HD2 LEU 62 2HD2 LEU 62 21.805 -5.140 -5.140 1472 2HD2 LEU 62 1HD2 LEU 62 20.365 -5.916 -5.916 1473 3HD2 LEU 62 3HD2 LEU 62 20.544 -4.165 -4.165 1474 H ASP 63 HN ASP 63 23.654 -6.712 -6.712 1475 HA ASP 63 HA ASP 63 26.381 -7.625 -7.625 1476 1HB ASP 63 2HB ASP 63 24.256 -8.128 -8.128 1477 2HB ASP 63 1HB ASP 63 25.058 -9.606 -9.606 1478 HA PRO 64 HA PRO 64 25.695 -10.690 -10.690 1479 1HB PRO 64 2HB PRO 64 26.592 -13.028 -13.028 1480 2HB PRO 64 1HB PRO 64 27.645 -11.784 -11.784 1481 1HG PRO 64 2HG PRO 64 26.898 -12.287 -12.287 1482 2HG PRO 64 1HG PRO 64 28.473 -11.848 -11.848 1483 1HD PRO 64 2HD PRO 64 26.913 -10.039 -10.039 1484 2HD PRO 64 1HD PRO 64 27.912 -9.608 -9.608 1485 H LYS 65 HN LYS 65 23.636 -11.157 -11.157 1486 HA LYS 65 HA LYS 65 21.667 -12.306 -12.306 1487 1HB LYS 65 2HB LYS 65 23.460 -14.106 -14.106 1488 2HB LYS 65 1HB LYS 65 21.967 -14.157 -14.157 1489 1HG LYS 65 2HG LYS 65 21.710 -14.276 -14.276 1490 2HG LYS 65 1HG LYS 65 22.402 -15.685 -15.685 1491 1HD LYS 65 2HD LYS 65 20.334 -15.325 -15.325 1492 2HD LYS 65 1HD LYS 65 19.662 -14.542 -14.542 1493 1HE LYS 65 2HE LYS 65 20.704 -17.364 -17.364 1494 2HE LYS 65 1HE LYS 65 19.021 -16.869 -16.869 1495 1HZ LYS 65 1HZ LYS 65 20.488 -15.713 -15.713 1496 2HZ LYS 65 3HZ LYS 65 20.915 -17.349 -17.349 1497 3HZ LYS 65 2HZ LYS 65 19.293 -16.905 -16.905 1498 H GLU 66 HN GLU 66 22.134 -10.014 -10.014 1499 HA GLU 66 HA GLU 66 20.323 -10.564 -10.564 1500 1HB GLU 66 2HB GLU 66 22.508 -8.680 -8.680 1501 2HB GLU 66 1HB GLU 66 21.085 -7.920 -7.920 1502 1HG GLU 66 2HG GLU 66 21.343 -10.172 -10.172 1503 2HG GLU 66 1HG GLU 66 23.022 -9.745 -9.745 1504 H LYS 67 HN LYS 67 18.444 -9.348 -9.348 1505 HA LYS 67 HA LYS 67 17.448 -7.947 -7.947 1506 1HB LYS 67 2HB LYS 67 16.185 -9.908 -9.908 1507 2HB LYS 67 1HB LYS 67 15.167 -8.600 -8.600 1508 1HG LYS 67 2HG LYS 67 15.247 -9.322 -9.322 1509 2HG LYS 67 1HG LYS 67 16.793 -10.144 -10.144 1510 1HD LYS 67 2HD LYS 67 15.627 -11.818 -11.818 1511 2HD LYS 67 1HD LYS 67 14.099 -11.037 -11.037 1512 1HE LYS 67 2HE LYS 67 14.427 -11.539 -11.539 1513 2HE LYS 67 1HE LYS 67 16.022 -12.210 -12.210 1514 1HZ LYS 67 1HZ LYS 67 14.914 -13.904 -13.904 1515 2HZ LYS 67 3HZ LYS 67 13.411 -13.303 -13.303 1516 3HZ LYS 67 2HZ LYS 67 14.465 -13.988 -13.988 1517 H VAL 68 HN VAL 68 17.096 -5.850 -5.850 1518 HA VAL 68 HA VAL 68 16.656 -4.792 -4.792 1519 HB VAL 68 HB VAL 68 18.733 -3.990 -3.990 1520 1HG1 VAL 68 1HG1 VAL 68 17.985 -4.112 -4.112 1521 2HG1 VAL 68 3HG1 VAL 68 16.897 -2.754 -2.754 1522 3HG1 VAL 68 2HG1 VAL 68 18.641 -2.523 -2.523 1523 1HG2 VAL 68 3HG2 VAL 68 17.101 -2.583 -2.583 1524 2HG2 VAL 68 2HG2 VAL 68 18.516 -1.836 -1.836 1525 3HG2 VAL 68 1HG2 VAL 68 16.923 -1.624 -1.624 1526 H LEU 69 HN LEU 69 15.037 -3.265 -3.265 1527 HA LEU 69 HA LEU 69 12.918 -3.303 -3.303 1528 1HB LEU 69 2HB LEU 69 13.047 -3.029 -3.029 1529 2HB LEU 69 1HB LEU 69 11.877 -1.976 -1.976 1530 HG LEU 69 HG LEU 69 11.973 -4.982 -4.982 1531 1HD1 LEU 69 2HD1 LEU 69 10.591 -3.142 -3.142 1532 2HD1 LEU 69 1HD1 LEU 69 9.590 -4.405 -4.405 1533 3HD1 LEU 69 3HD1 LEU 69 11.032 -4.837 -4.837 1534 1HD2 LEU 69 1HD2 LEU 69 10.860 -3.061 -3.061 1535 2HD2 LEU 69 3HD2 LEU 69 10.590 -4.804 -4.804 1536 3HD2 LEU 69 2HD2 LEU 69 9.515 -3.749 -3.749 1537 H MET 70 HN MET 70 11.918 -1.455 -1.455 1538 HA MET 70 HA MET 70 13.291 1.099 1.099 1539 1HB MET 70 2HB MET 70 13.952 -0.011 -0.011 1540 2HB MET 70 1HB MET 70 12.297 0.260 0.260 1541 1HG MET 70 2HG MET 70 12.575 2.507 2.507 1542 2HG MET 70 1HG MET 70 13.806 2.579 2.579 1543 1HE MET 70 3HE MET 70 12.965 1.502 1.502 1544 2HE MET 70 2HE MET 70 14.542 1.161 1.161 1545 3HE MET 70 1HE MET 70 13.865 0.066 0.066 1546 H ALA 71 HN ALA 71 11.998 2.992 2.992 1547 HA ALA 71 HA ALA 71 9.115 2.516 2.516 1548 1HB ALA 71 2HB ALA 71 9.891 2.651 2.651 1549 2HB ALA 71 1HB ALA 71 10.192 4.359 4.359 1550 3HB ALA 71 3HB ALA 71 8.562 3.704 3.704 1551 H VAL 72 HN VAL 72 8.254 3.805 3.805 1552 HA VAL 72 HA VAL 72 9.601 6.354 6.354 1553 HB VAL 72 HB VAL 72 9.590 4.755 4.755 1554 1HG1 VAL 72 1HG1 VAL 72 7.068 4.098 4.098 1555 2HG1 VAL 72 3HG1 VAL 72 6.751 5.010 5.010 1556 3HG1 VAL 72 2HG1 VAL 72 7.796 3.590 3.590 1557 1HG2 VAL 72 1HG2 VAL 72 9.157 7.379 7.379 1558 2HG2 VAL 72 3HG2 VAL 72 9.215 6.361 6.361 1559 3HG2 VAL 72 2HG2 VAL 72 7.660 6.826 6.826 1560 H SER 73 HN SER 73 8.551 8.066 8.066 1561 HA SER 73 HA SER 73 5.656 7.889 7.889 1562 1HB SER 73 2HB SER 73 6.991 10.304 10.304 1563 2HB SER 73 1HB SER 73 5.941 9.173 9.173 1564 HG SER 73 HG SER 73 8.459 9.408 9.408 1565 H CYS 74 HN CYS 74 4.254 8.992 8.992 1566 HA CYS 74 HA CYS 74 5.305 11.065 11.065 1567 1HB CYS 74 2HB CYS 74 4.499 9.022 9.022 1568 2HB CYS 74 1HB CYS 74 2.911 9.267 9.267 1569 HG CYS 74 HG CYS 74 2.665 11.426 11.426 1570 H ASP 75 HN ASP 75 4.508 13.058 13.058 1571 HA ASP 75 HA ASP 75 2.504 13.573 13.573 1572 1HB ASP 75 2HB ASP 75 4.051 15.406 15.406 1573 2HB ASP 75 1HB ASP 75 2.902 15.975 15.975 1574 H THR 76 HN THR 76 0.496 14.562 14.562 1575 HA THR 76 HA THR 76 -0.977 13.699 13.699 1576 HB THR 76 HB THR 76 -2.827 14.689 14.689 1577 HG1 THR 76 1HG THR 76 -2.742 16.695 16.695 1578 1HG2 THR 76 3HG2 THR 76 -1.540 13.129 13.129 1579 2HG2 THR 76 2HG2 THR 76 -1.102 14.601 14.601 1580 3HG2 THR 76 1HG2 THR 76 -2.799 14.156 14.156 1581 H PHE 77 HN PHE 77 -2.183 15.088 15.088 1582 HA PHE 77 HA PHE 77 -1.504 17.762 17.762 1583 1HB PHE 77 2HB PHE 77 -0.044 17.582 17.582 1584 2HB PHE 77 1HB PHE 77 0.697 16.725 16.725 1585 HD1 PHE 77 2HD PHE 77 0.813 14.289 14.289 1586 HD2 PHE 77 1HD PHE 77 -0.796 16.422 16.422 1587 HE1 PHE 77 2HE PHE 77 1.013 12.270 12.270 1588 HE2 PHE 77 1HE PHE 77 -0.601 14.408 14.408 1589 HZ PHE 77 HZ PHE 77 0.305 12.328 12.328 1590 H ASN 78 HN ASN 78 -1.906 18.148 18.148 1591 HA ASN 78 HA ASN 78 -4.514 16.886 16.886 1592 1HB ASN 78 2HB ASN 78 -4.779 18.878 18.878 1593 2HB ASN 78 1HB ASN 78 -4.809 19.219 19.219 1594 1HD2 ASN 78 2HD2 ASN 78 -1.818 21.043 21.043 1595 2HD2 ASN 78 1HD2 ASN 78 -2.950 20.138 20.138 1596 H ALA 79 HN ALA 79 -4.349 15.199 15.199 1597 HA ALA 79 HA ALA 79 -2.344 15.185 15.185 1598 1HB ALA 79 3HB ALA 79 -4.120 13.119 13.119 1599 2HB ALA 79 2HB ALA 79 -3.387 12.832 12.832 1600 3HB ALA 79 1HB ALA 79 -2.365 13.130 13.130 1601 H ALA 80 HN ALA 80 -4.940 16.829 16.829 1602 HA ALA 80 HA ALA 80 -6.321 15.751 15.751 1603 1HB ALA 80 1HB ALA 80 -7.182 17.184 17.184 1604 2HB ALA 80 3HB ALA 80 -7.168 18.385 18.385 1605 3HB ALA 80 2HB ALA 80 -8.100 16.898 16.898 1606 H THR 81 HN THR 81 -4.311 18.496 18.496 1607 HA THR 81 HA THR 81 -3.952 19.096 19.096 1608 HB THR 81 HB THR 81 -3.893 21.493 21.493 1609 HG1 THR 81 1HG THR 81 -3.346 21.682 21.682 1610 1HG2 THR 81 2HG2 THR 81 -6.064 20.334 20.334 1611 2HG2 THR 81 1HG2 THR 81 -6.423 20.386 20.386 1612 3HG2 THR 81 3HG2 THR 81 -6.188 21.888 21.888 1613 H GLU 82 HN GLU 82 -2.248 17.445 17.445 1614 HA GLU 82 HA GLU 82 0.183 19.082 19.082 1615 1HB GLU 82 2HB GLU 82 -0.593 17.032 17.032 1616 2HB GLU 82 1HB GLU 82 1.001 17.762 17.762 1617 1HG GLU 82 2HG GLU 82 -1.543 19.296 19.296 1618 2HG GLU 82 1HG GLU 82 -0.429 18.781 18.781 1619 H ASP 83 HN ASP 83 2.152 17.461 17.461 1620 HA ASP 83 HA ASP 83 1.838 15.602 15.602 1621 1HB ASP 83 2HB ASP 83 4.273 16.659 16.659 1622 2HB ASP 83 1HB ASP 83 4.351 15.461 15.461 1623 H LEU 84 HN LEU 84 2.469 13.421 13.421 1624 HA LEU 84 HA LEU 84 2.941 12.281 12.281 1625 1HB LEU 84 2HB LEU 84 0.878 11.174 11.174 1626 2HB LEU 84 1HB LEU 84 1.247 10.592 10.592 1627 HG LEU 84 HG LEU 84 -0.039 13.237 13.237 1628 1HD1 LEU 84 1HD1 LEU 84 -1.406 11.120 11.120 1629 2HD1 LEU 84 3HD1 LEU 84 -1.214 10.925 10.925 1630 3HD1 LEU 84 2HD1 LEU 84 -2.037 12.346 12.346 1631 1HD2 LEU 84 2HD2 LEU 84 1.461 12.485 12.485 1632 2HD2 LEU 84 1HD2 LEU 84 0.530 13.960 13.960 1633 3HD2 LEU 84 3HD2 LEU 84 -0.238 12.553 12.553 1634 H ASN 85 HN ASN 85 4.608 12.710 12.710 1635 HA ASN 85 HA ASN 85 5.499 9.943 9.943 1636 1HB ASN 85 2HB ASN 85 4.271 11.502 11.502 1637 2HB ASN 85 1HB ASN 85 5.958 11.214 11.214 1638 1HD2 ASN 85 2HD2 ASN 85 3.318 8.383 8.383 1639 2HD2 ASN 85 1HD2 ASN 85 2.980 10.063 10.063 1640 H ASN 86 HN ASN 86 6.404 12.348 12.348 1641 HA ASN 86 HA ASN 86 9.074 12.613 12.613 1642 1HB ASN 86 2HB ASN 86 7.278 14.609 14.609 1643 2HB ASN 86 1HB ASN 86 8.991 14.753 14.753 1644 1HD2 ASN 86 2HD2 ASN 86 7.592 16.115 16.115 1645 2HD2 ASN 86 1HD2 ASN 86 6.613 15.638 15.638 1646 H ASP 87 HN ASP 87 7.331 11.449 11.449 1647 HA ASP 87 HA ASP 87 9.424 11.765 11.765 1648 1HB ASP 87 2HB ASP 87 6.973 9.997 9.997 1649 2HB ASP 87 1HB ASP 87 7.987 10.480 10.480 1650 H ARG 88 HN ARG 88 11.171 10.547 10.547 1651 HA ARG 88 HA ARG 88 11.019 7.692 7.692 1652 1HB ARG 88 2HB ARG 88 13.142 7.889 7.889 1653 2HB ARG 88 1HB ARG 88 11.610 8.311 8.311 1654 1HG ARG 88 2HG ARG 88 12.070 10.614 10.614 1655 2HG ARG 88 1HG ARG 88 13.407 10.374 10.374 1656 1HD ARG 88 2HD ARG 88 14.814 10.252 10.252 1657 2HD ARG 88 1HD ARG 88 13.957 8.831 8.831 1658 HE ARG 88 HE ARG 88 12.733 11.340 11.340 1659 1HH1 ARG 88 1HH2 ARG 88 15.056 8.906 8.906 1660 2HH1 ARG 88 2HH2 ARG 88 15.013 9.301 9.301 1661 1HH2 ARG 88 1HH1 ARG 88 12.669 11.868 11.868 1662 2HH2 ARG 88 2HH1 ARG 88 13.657 10.985 10.985 1663 H ILE 89 HN ILE 89 12.333 6.549 6.549 1664 HA ILE 89 HA ILE 89 14.066 8.061 8.061 1665 HB ILE 89 HB ILE 89 13.379 5.150 5.150 1666 1HG1 ILE 89 2HG1 ILE 89 11.742 7.524 7.524 1667 2HG1 ILE 89 1HG1 ILE 89 11.253 6.309 6.309 1668 1HG2 ILE 89 3HG2 ILE 89 14.340 7.333 7.333 1669 2HG2 ILE 89 2HG2 ILE 89 13.569 5.882 5.882 1670 3HG2 ILE 89 1HG2 ILE 89 15.051 5.748 5.748 1671 1HD1 ILE 89 1HD1 ILE 89 11.589 4.634 4.634 1672 2HD1 ILE 89 3HD1 ILE 89 11.529 6.058 6.058 1673 3HD1 ILE 89 2HD1 ILE 89 10.157 5.663 5.663 1674 H THR 90 HN THR 90 16.114 6.951 6.951 1675 HA THR 90 HA THR 90 17.328 5.370 5.370 1676 HB THR 90 HB THR 90 18.519 7.859 7.859 1677 HG1 THR 90 1HG THR 90 18.082 8.791 8.791 1678 1HG2 THR 90 3HG2 THR 90 19.929 5.656 5.656 1679 2HG2 THR 90 2HG2 THR 90 19.952 6.806 6.806 1680 3HG2 THR 90 1HG2 THR 90 20.545 7.289 7.289 1681 H ILE 91 HN ILE 91 18.128 3.567 3.567 1682 HA ILE 91 HA ILE 91 19.146 3.629 3.629 1683 HB ILE 91 HB ILE 91 17.972 1.262 1.262 1684 1HG1 ILE 91 2HG1 ILE 91 16.263 1.590 1.590 1685 2HG1 ILE 91 1HG1 ILE 91 16.826 3.256 3.256 1686 1HG2 ILE 91 2HG2 ILE 91 19.636 1.460 1.460 1687 2HG2 ILE 91 1HG2 ILE 91 18.046 0.864 0.864 1688 3HG2 ILE 91 3HG2 ILE 91 18.969 0.020 0.020 1689 1HD1 ILE 91 3HD1 ILE 91 16.315 2.864 2.864 1690 2HD1 ILE 91 2HD1 ILE 91 15.155 1.736 1.736 1691 3HD1 ILE 91 1HD1 ILE 91 15.109 3.442 3.442 1692 H GLU 92 HN GLU 92 21.301 3.687 3.687 1693 HA GLU 92 HA GLU 92 22.682 1.958 1.958 1694 1HB GLU 92 2HB GLU 92 24.645 3.593 3.593 1695 2HB GLU 92 1HB GLU 92 23.403 4.073 4.073 1696 1HG GLU 92 2HG GLU 92 22.284 5.377 5.377 1697 2HG GLU 92 1HG GLU 92 23.431 4.827 4.827 1698 H TRP 93 HN TRP 93 24.665 0.959 0.959 1699 HA TRP 93 HA TRP 93 25.272 0.881 0.881 1700 1HB TRP 93 2HB TRP 93 24.847 -1.460 -1.460 1701 2HB TRP 93 1HB TRP 93 23.368 -0.728 -0.728 1702 HD1 TRP 93 1HD TRP 93 25.622 -3.586 -3.586 1703 HE1 TRP 93 1HE TRP 93 25.056 -4.745 -4.745 1704 HE3 TRP 93 3HE TRP 93 22.568 -0.017 -0.017 1705 HZ2 TRP 93 2HZ TRP 93 23.517 -4.217 -4.217 1706 HZ3 TRP 93 3HZ TRP 93 21.590 -0.422 -0.422 1707 HH2 TRP 93 2HH TRP 93 22.057 -2.479 -2.479 1708 H THR 94 HN THR 94 27.339 0.211 0.211 1709 HA THR 94 HA THR 94 28.883 -0.962 -0.962 1710 HB THR 94 HB THR 94 29.204 1.493 1.493 1711 HG1 THR 94 1HG THR 94 31.468 1.393 1.393 1712 1HG2 THR 94 3HG2 THR 94 28.937 1.904 1.904 1713 2HG2 THR 94 2HG2 THR 94 30.547 1.221 1.221 1714 3HG2 THR 94 1HG2 THR 94 30.338 2.684 2.684 1715 H ASN 95 HN ASN 95 30.834 -2.010 -2.010 1716 HA ASN 95 HA ASN 95 30.573 -3.413 -3.413 1717 1HB ASN 95 2HB ASN 95 32.823 -3.255 -3.255 1718 2HB ASN 95 1HB ASN 95 32.859 -4.312 -4.312 1719 1HD2 ASN 95 2HD2 ASN 95 30.242 -6.429 -6.429 1720 2HD2 ASN 95 1HD2 ASN 95 30.782 -5.656 -5.656 1721 H THR 96 HN THR 96 31.334 -2.973 -2.973 1722 HA THR 96 HA THR 96 32.580 -0.477 -0.477 1723 HB THR 96 HB THR 96 32.769 -1.443 -1.443 1724 HG1 THR 96 1HG THR 96 32.351 -3.468 -3.468 1725 1HG2 THR 96 2HG2 THR 96 30.346 -0.833 -0.833 1726 2HG2 THR 96 1HG2 THR 96 30.069 -1.886 -1.886 1727 3HG2 THR 96 3HG2 THR 96 30.857 -0.325 -0.325 1728 HA PRO 97 HA PRO 97 36.882 -1.296 -1.296 1729 1HB PRO 97 2HB PRO 97 37.164 0.110 0.110 1730 2HB PRO 97 1HB PRO 97 38.017 0.387 0.387 1731 1HG PRO 97 2HG PRO 97 36.069 2.026 2.026 1732 2HG PRO 97 1HG PRO 97 36.253 1.574 1.574 1733 1HD PRO 97 2HD PRO 97 34.243 0.660 0.660 1734 2HD PRO 97 1HD PRO 97 34.075 0.887 0.887 1735 H ASP 98 HN ASP 98 38.693 -2.372 -2.372 1736 HA ASP 98 HA ASP 98 38.044 -4.770 -4.770 1737 1HB ASP 98 2HB ASP 98 40.509 -3.279 -3.279 1738 2HB ASP 98 1HB ASP 98 40.633 -4.362 -4.362 1739 H GLY 99 HN GLY 99 36.816 -4.744 -4.744 1740 1HA GLY 99 2HA GLY 99 36.296 -4.527 -4.527 1741 2HA GLY 99 1HA GLY 99 38.027 -4.404 -4.404 1742 H ALA 100 HN ALA 100 35.811 -2.245 -2.245 1743 HA ALA 100 HA ALA 100 36.953 0.118 0.118 1744 1HB ALA 100 3HB ALA 100 34.342 -0.578 -0.578 1745 2HB ALA 100 2HB ALA 100 34.561 1.038 1.038 1746 3HB ALA 100 1HB ALA 100 35.641 0.458 0.458 1747 H ALA 101 HN ALA 101 33.580 -0.504 -0.504 1748 HA ALA 101 HA ALA 101 33.848 -0.806 -0.806 1749 1HB ALA 101 3HB ALA 101 34.801 1.495 1.495 1750 2HB ALA 101 2HB ALA 101 33.223 2.039 2.039 1751 3HB ALA 101 1HB ALA 101 33.389 1.371 1.371 1752 H LYS 102 HN LYS 102 31.807 -0.402 -0.402 1753 HA LYS 102 HA LYS 102 29.581 -1.189 -1.189 1754 1HB LYS 102 2HB LYS 102 29.792 -0.912 -0.912 1755 2HB LYS 102 1HB LYS 102 28.388 -1.536 -1.536 1756 1HG LYS 102 2HG LYS 102 29.321 -3.530 -3.530 1757 2HG LYS 102 1HG LYS 102 30.350 -3.124 -3.124 1758 1HD LYS 102 2HD LYS 102 32.145 -3.179 -3.179 1759 2HD LYS 102 1HD LYS 102 31.451 -1.920 -1.920 1760 1HE LYS 102 2HE LYS 102 30.904 -4.875 -4.875 1761 2HE LYS 102 1HE LYS 102 32.022 -3.958 -3.958 1762 1HZ LYS 102 2HZ LYS 102 29.724 -2.544 -2.544 1763 2HZ LYS 102 1HZ LYS 102 29.157 -4.136 -4.136 1764 3HZ LYS 102 3HZ LYS 102 30.270 -3.674 -3.674 1765 H GLN 103 HN GLN 103 29.678 0.974 0.974 1766 HA GLN 103 HA GLN 103 27.479 2.522 2.522 1767 1HB GLN 103 2HB GLN 103 29.990 3.284 3.284 1768 2HB GLN 103 1HB GLN 103 29.221 4.605 4.605 1769 1HG GLN 103 2HG GLN 103 27.113 3.519 3.519 1770 2HG GLN 103 1HG GLN 103 28.439 3.268 3.268 1771 1HE2 GLN 103 2HE2 GLN 103 28.928 6.682 6.682 1772 2HE2 GLN 103 1HE2 GLN 103 29.667 5.120 5.120 1773 H PHE 104 HN PHE 104 26.821 3.389 3.389 1774 HA PHE 104 HA PHE 104 28.278 3.315 3.315 1775 1HB PHE 104 2HB PHE 104 25.813 3.461 3.461 1776 2HB PHE 104 1HB PHE 104 25.948 5.128 5.128 1777 HD1 PHE 104 2HD PHE 104 26.989 6.825 6.825 1778 HD2 PHE 104 1HD PHE 104 25.854 2.932 2.932 1779 HE1 PHE 104 2HE PHE 104 27.006 7.597 7.597 1780 HE2 PHE 104 1HE PHE 104 25.869 3.696 3.696 1781 HZ PHE 104 HZ PHE 104 26.445 6.033 6.033 1782 H ARG 105 HN ARG 105 29.378 4.847 4.847 1783 HA ARG 105 HA ARG 105 29.941 7.423 7.423 1784 1HB ARG 105 2HB ARG 105 31.744 5.464 5.464 1785 2HB ARG 105 1HB ARG 105 32.194 6.052 6.052 1786 1HG ARG 105 2HG ARG 105 32.909 8.079 8.079 1787 2HG ARG 105 1HG ARG 105 31.863 8.013 8.013 1788 1HD ARG 105 2HD ARG 105 33.283 6.503 6.503 1789 2HD ARG 105 1HD ARG 105 34.159 6.114 6.114 1790 HE ARG 105 HE ARG 105 34.567 8.799 8.799 1791 1HH1 ARG 105 1HH2 ARG 105 35.149 5.878 5.878 1792 2HH1 ARG 105 2HH2 ARG 105 36.536 6.510 6.510 1793 1HH2 ARG 105 1HH1 ARG 105 36.391 9.640 9.640 1794 2HH2 ARG 105 2HH1 ARG 105 37.242 8.648 8.648 1795 H ARG 106 HN ARG 106 30.743 9.059 9.059 1796 HA ARG 106 HA ARG 106 29.640 8.741 8.741 1797 1HB ARG 106 2HB ARG 106 29.255 10.736 10.736 1798 2HB ARG 106 1HB ARG 106 30.760 11.324 11.324 1799 1HG ARG 106 2HG ARG 106 29.349 10.675 10.675 1800 2HG ARG 106 1HG ARG 106 28.074 11.226 11.226 1801 1HD ARG 106 2HD ARG 106 30.599 12.792 12.792 1802 2HD ARG 106 1HD ARG 106 29.173 12.985 12.985 1803 HE ARG 106 HE ARG 106 29.561 14.069 14.069 1804 1HH1 ARG 106 1HH2 ARG 106 27.129 12.677 12.677 1805 2HH1 ARG 106 2HH2 ARG 106 25.818 13.517 13.517 1806 1HH2 ARG 106 1HH1 ARG 106 27.843 15.182 15.182 1807 2HH2 ARG 106 2HH1 ARG 106 26.224 14.942 14.942 1808 H GLU 107 HN GLU 107 32.187 7.498 7.498 1809 HA GLU 107 HA GLU 107 33.968 8.964 8.964 1810 1HB GLU 107 2HB GLU 107 35.855 7.878 7.878 1811 2HB GLU 107 1HB GLU 107 34.904 8.901 8.901 1812 1HG GLU 107 2HG GLU 107 33.986 7.090 7.090 1813 2HG GLU 107 1HG GLU 107 34.377 5.963 5.963 1814 H TRP 108 HN TRP 108 32.646 5.845 5.845 1815 HA TRP 108 HA TRP 108 34.135 4.202 4.202 1816 1HB TRP 108 2HB TRP 108 31.236 3.842 3.842 1817 2HB TRP 108 1HB TRP 108 32.336 2.584 2.584 1818 HD1 TRP 108 1HD TRP 108 34.796 3.691 3.691 1819 HE1 TRP 108 1HE TRP 108 34.688 3.066 3.066 1820 HE3 TRP 108 3HE TRP 108 29.813 2.598 2.598 1821 HZ2 TRP 108 2HZ TRP 108 32.747 2.221 2.221 1822 HZ3 TRP 108 3HZ TRP 108 28.911 1.888 1.888 1823 HH2 TRP 108 2HH TRP 108 30.350 1.704 1.704 1824 H PHE 109 HN PHE 109 31.451 6.334 6.334 1825 HA PHE 109 HA PHE 109 30.996 5.274 5.274 1826 1HB PHE 109 2HB PHE 109 29.816 7.606 7.606 1827 2HB PHE 109 1HB PHE 109 29.387 7.224 7.224 1828 HD1 PHE 109 1HD PHE 109 29.782 5.314 5.314 1829 HD2 PHE 109 2HD PHE 109 27.380 6.160 6.160 1830 HE1 PHE 109 1HE PHE 109 28.085 3.725 3.725 1831 HE2 PHE 109 2HE PHE 109 25.678 4.573 4.573 1832 HZ PHE 109 HZ PHE 109 26.030 3.354 3.354 1833 H GLN 110 HN GLN 110 32.335 8.205 8.205 1834 HA GLN 110 HA GLN 110 33.176 9.167 9.167 1835 1HB GLN 110 2HB GLN 110 33.145 10.393 10.393 1836 2HB GLN 110 1HB GLN 110 34.016 11.141 11.141 1837 1HG GLN 110 2HG GLN 110 31.224 10.411 10.411 1838 2HG GLN 110 1HG GLN 110 31.458 11.684 11.684 1839 1HE2 GLN 110 2HE2 GLN 110 31.584 12.615 12.615 1840 2HE2 GLN 110 1HE2 GLN 110 30.843 11.216 11.216 1841 H GLY 111 HN GLY 111 34.507 6.928 6.928 1842 1HA GLY 111 2HA GLY 111 37.237 7.801 7.801 1843 2HA GLY 111 1HA GLY 111 36.781 6.786 6.786 1844 H ASP 112 HN ASP 112 38.366 5.267 5.267 1845 HA ASP 112 HA ASP 112 38.203 4.037 4.037 1846 1HB ASP 112 2HB ASP 112 39.905 2.569 2.569 1847 2HB ASP 112 1HB ASP 112 40.226 4.139 4.139 1848 H GLY 113 HN GLY 113 37.585 1.852 1.852 1849 1HA GLY 113 2HA GLY 113 36.555 -0.207 -0.207 1850 2HA GLY 113 1HA GLY 113 35.530 0.831 0.831 1851 H MET 114 HN MET 114 33.786 -0.418 -0.418 1852 HA MET 114 HA MET 114 32.970 0.822 0.822 1853 1HB MET 114 2HB MET 114 32.557 -2.107 -2.107 1854 2HB MET 114 1HB MET 114 32.175 -1.266 -1.266 1855 1HG MET 114 2HG MET 114 34.156 -1.863 -1.863 1856 2HG MET 114 1HG MET 114 34.893 -0.809 -0.809 1857 1HE MET 114 2HE MET 114 36.707 -1.468 -1.468 1858 2HE MET 114 1HE MET 114 36.999 -2.801 -2.801 1859 3HE MET 114 3HE MET 114 37.292 -3.016 -3.016 1860 H VAL 115 HN VAL 115 31.223 1.971 1.971 1861 HA VAL 115 HA VAL 115 29.282 0.833 0.833 1862 HB VAL 115 HB VAL 115 30.227 2.944 2.944 1863 1HG1 VAL 115 2HG1 VAL 115 30.769 3.831 3.831 1864 2HG1 VAL 115 1HG1 VAL 115 29.058 4.195 4.195 1865 3HG1 VAL 115 3HG1 VAL 115 29.973 5.003 5.003 1866 1HG2 VAL 115 3HG2 VAL 115 27.546 2.309 2.309 1867 2HG2 VAL 115 2HG2 VAL 115 28.262 3.538 3.538 1868 3HG2 VAL 115 1HG2 VAL 115 27.610 3.988 3.988 1869 H ARG 116 HN ARG 116 27.281 0.383 0.383 1870 HA ARG 116 HA ARG 116 26.563 1.127 1.127 1871 1HB ARG 116 2HB ARG 116 26.609 -1.334 -1.334 1872 2HB ARG 116 1HB ARG 116 24.984 -0.882 -0.882 1873 1HG ARG 116 2HG ARG 116 24.249 -0.644 -0.644 1874 2HG ARG 116 1HG ARG 116 25.894 -0.565 -0.565 1875 1HD ARG 116 2HD ARG 116 26.209 -2.840 -2.840 1876 2HD ARG 116 1HD ARG 116 25.005 -3.023 -3.023 1877 HE ARG 116 HE ARG 116 23.373 -3.243 -3.243 1878 1HH1 ARG 116 1HH2 ARG 116 26.322 -2.123 -2.123 1879 2HH1 ARG 116 2HH2 ARG 116 25.750 -2.355 -2.355 1880 1HH2 ARG 116 1HH1 ARG 116 22.611 -3.549 -3.549 1881 2HH2 ARG 116 2HH1 ARG 116 23.640 -3.163 -3.163 1882 H ARG 117 HN ARG 117 24.402 1.797 1.797 1883 HA ARG 117 HA ARG 117 22.913 2.860 2.860 1884 1HB ARG 117 2HB ARG 117 24.253 4.667 4.667 1885 2HB ARG 117 1HB ARG 117 23.448 4.363 4.363 1886 1HG ARG 117 2HG ARG 117 21.760 5.676 5.676 1887 2HG ARG 117 1HG ARG 117 21.493 4.765 4.765 1888 1HD ARG 117 2HD ARG 117 22.054 7.281 7.281 1889 2HD ARG 117 1HD ARG 117 22.863 6.157 6.157 1890 HE ARG 117 HE ARG 117 24.846 6.727 6.727 1891 1HH1 ARG 117 1HH2 ARG 117 22.259 7.596 7.596 1892 2HH1 ARG 117 2HH2 ARG 117 23.300 8.384 8.384 1893 1HH2 ARG 117 1HH1 ARG 117 26.227 7.764 7.764 1894 2HH2 ARG 117 2HH1 ARG 117 25.555 8.480 8.480 1895 H LYS 118 HN LYS 118 20.711 2.829 2.829 1896 HA LYS 118 HA LYS 118 19.564 1.722 1.722 1897 1HB LYS 118 2HB LYS 118 19.643 0.520 0.520 1898 2HB LYS 118 1HB LYS 118 17.974 0.936 0.936 1899 1HG LYS 118 2HG LYS 118 18.531 -0.199 -0.199 1900 2HG LYS 118 1HG LYS 118 19.783 -0.996 -0.996 1901 1HD LYS 118 2HD LYS 118 16.928 -0.915 -0.915 1902 2HD LYS 118 1HD LYS 118 17.494 -2.150 -2.150 1903 1HE LYS 118 2HE LYS 118 19.107 -1.704 -1.704 1904 2HE LYS 118 1HE LYS 118 17.536 -2.478 -2.478 1905 1HZ LYS 118 1HZ LYS 118 19.151 -3.534 -3.534 1906 2HZ LYS 118 3HZ LYS 118 19.786 -3.785 -3.785 1907 3HZ LYS 118 2HZ LYS 118 18.237 -4.348 -4.348 1908 H ASN 119 HN ASN 119 17.228 2.105 2.105 1909 HA ASN 119 HA ASN 119 16.256 4.442 4.442 1910 1HB ASN 119 2HB ASN 119 16.171 4.295 4.295 1911 2HB ASN 119 1HB ASN 119 15.649 5.637 5.637 1912 1HD2 ASN 119 2HD2 ASN 119 19.499 5.232 5.232 1913 2HD2 ASN 119 1HD2 ASN 119 18.271 4.109 4.109 1914 H LEU 120 HN LEU 120 14.242 4.121 4.121 1915 HA LEU 120 HA LEU 120 12.630 2.065 2.065 1916 1HB LEU 120 2HB LEU 120 13.060 2.814 2.814 1917 2HB LEU 120 1HB LEU 120 11.358 2.697 2.697 1918 HG LEU 120 HG LEU 120 11.809 0.391 0.391 1919 1HD1 LEU 120 1HD1 LEU 120 14.525 1.083 1.083 1920 2HD1 LEU 120 3HD1 LEU 120 13.960 -0.584 -0.584 1921 3HD1 LEU 120 2HD1 LEU 120 14.056 0.225 0.225 1922 1HD2 LEU 120 3HD2 LEU 120 11.756 1.303 1.303 1923 2HD2 LEU 120 2HD2 LEU 120 10.894 -0.032 -0.032 1924 3HD2 LEU 120 1HD2 LEU 120 12.534 -0.271 -0.271 1925 HA PRO 121 HA PRO 121 10.190 5.585 5.585 1926 1HB PRO 121 2HB PRO 121 8.403 4.169 4.169 1927 2HB PRO 121 1HB PRO 121 10.042 4.512 4.512 1928 1HG PRO 121 2HG PRO 121 8.957 2.023 2.023 1929 2HG PRO 121 1HG PRO 121 10.035 2.189 2.189 1930 1HD PRO 121 2HD PRO 121 10.941 1.567 1.567 1931 2HD PRO 121 1HD PRO 121 11.899 2.510 2.510 1932 H ILE 122 HN ILE 122 8.462 6.581 6.581 1933 HA ILE 122 HA ILE 122 6.738 4.980 4.980 1934 HB ILE 122 HB ILE 122 6.912 7.977 7.977 1935 1HG1 ILE 122 2HG1 ILE 122 9.206 7.071 7.071 1936 2HG1 ILE 122 1HG1 ILE 122 8.645 7.823 7.823 1937 1HG2 ILE 122 2HG2 ILE 122 6.132 5.881 5.881 1938 2HG2 ILE 122 1HG2 ILE 122 6.274 7.602 7.602 1939 3HG2 ILE 122 3HG2 ILE 122 5.072 7.039 7.039 1940 1HD1 ILE 122 1HD1 ILE 122 7.979 5.052 5.052 1941 2HD1 ILE 122 3HD1 ILE 122 9.685 5.241 5.241 1942 3HD1 ILE 122 2HD1 ILE 122 9.046 5.962 5.962 1943 H GLU 123 HN GLU 123 4.576 4.909 4.909 1944 HA GLU 123 HA GLU 123 3.401 6.578 6.578 1945 1HB GLU 123 2HB GLU 123 3.452 3.668 3.668 1946 2HB GLU 123 1HB GLU 123 1.834 4.313 4.313 1947 1HG GLU 123 2HG GLU 123 3.009 5.649 5.649 1948 2HG GLU 123 1HG GLU 123 4.160 4.318 4.318 1949 H TYR 124 HN TYR 124 1.102 6.962 6.962 1950 HA TYR 124 HA TYR 124 0.194 6.820 6.820 1951 1HB TYR 124 2HB TYR 124 -0.165 9.045 9.045 1952 2HB TYR 124 1HB TYR 124 -1.046 8.961 8.961 1953 HD1 TYR 124 1HD TYR 124 2.300 9.359 9.359 1954 HD2 TYR 124 2HD TYR 124 -0.006 9.564 9.564 1955 HE1 TYR 124 1HE TYR 124 4.168 10.486 10.486 1956 HE2 TYR 124 2HE TYR 124 1.856 10.693 10.693 1957 HH TYR 124 HH TYR 124 4.357 10.839 10.839 1958 H ASN 125 HN ASN 125 -1.118 5.065 5.065 1959 HA ASN 125 HA ASN 125 -3.002 4.730 4.730 1960 1HB ASN 125 2HB ASN 125 -1.877 2.840 2.840 1961 2HB ASN 125 1HB ASN 125 -2.931 3.223 3.223 1962 1HD2 ASN 125 2HD2 ASN 125 -5.060 0.805 0.805 1963 2HD2 ASN 125 1HD2 ASN 125 -3.947 1.235 1.235 1964 H LEU 126 HN LEU 126 -4.154 6.721 6.721 1965 HA LEU 126 HA LEU 126 -5.531 7.550 7.550 1966 1HB LEU 126 2HB LEU 126 -6.079 8.027 8.027 1967 2HB LEU 126 1HB LEU 126 -6.990 8.799 8.799 1968 HG LEU 126 HG LEU 126 -4.002 9.068 9.068 1969 1HD1 LEU 126 1HD1 LEU 126 -5.727 9.920 9.920 1970 2HD1 LEU 126 3HD1 LEU 126 -5.454 11.351 11.351 1971 3HD1 LEU 126 2HD1 LEU 126 -4.084 10.488 10.488 1972 1HD2 LEU 126 3HD2 LEU 126 -6.242 10.472 10.472 1973 2HD2 LEU 126 2HD2 LEU 126 -4.738 9.831 9.831 1974 3HD2 LEU 126 1HD2 LEU 126 -4.718 11.302 11.302 Start of MODEL 5 1 1H ALA 1 2HN ALA 1 -42.462 8.519 8.519 2 2H ALA 1 1HN ALA 1 -43.917 9.219 9.219 3 3H ALA 1 3HN ALA 1 -42.405 9.847 9.847 4 HA ALA 1 HA ALA 1 -43.220 11.313 11.313 5 1HB ALA 1 1HB ALA 1 -44.582 9.114 9.114 6 2HB ALA 1 3HB ALA 1 -43.459 9.525 9.525 7 3HB ALA 1 2HB ALA 1 -44.585 10.738 10.738 8 H GLN 2 HN GLN 2 -41.536 8.457 8.457 9 HA GLN 2 HA GLN 2 -39.152 10.099 10.099 10 1HB GLN 2 2HB GLN 2 -40.858 9.040 9.040 11 2HB GLN 2 1HB GLN 2 -39.160 8.621 8.621 12 1HG GLN 2 2HG GLN 2 -38.941 11.241 11.241 13 2HG GLN 2 1HG GLN 2 -40.506 11.224 11.224 14 1HE2 GLN 2 2HE2 GLN 2 -37.868 11.765 11.765 15 2HE2 GLN 2 1HE2 GLN 2 -38.404 12.572 12.572 16 H SER 3 HN SER 3 -38.251 8.867 8.867 17 HA SER 3 HA SER 3 -36.871 6.541 6.541 18 1HB SER 3 2HB SER 3 -39.202 5.629 5.629 19 2HB SER 3 1HB SER 3 -38.923 6.013 6.013 20 HG SER 3 HG SER 3 -38.262 3.942 3.942 21 H VAL 4 HN VAL 4 -36.048 8.950 8.950 22 HA VAL 4 HA VAL 4 -35.682 9.177 9.177 23 HB VAL 4 HB VAL 4 -33.622 10.454 10.454 24 1HG1 VAL 4 2HG1 VAL 4 -35.961 11.048 11.048 25 2HG1 VAL 4 1HG1 VAL 4 -34.694 12.191 12.191 26 3HG1 VAL 4 3HG1 VAL 4 -35.782 11.556 11.556 27 1HG2 VAL 4 1HG2 VAL 4 -33.734 8.896 8.896 28 2HG2 VAL 4 3HG2 VAL 4 -32.422 9.889 9.889 29 3HG2 VAL 4 2HG2 VAL 4 -33.673 10.620 10.620 30 HA PRO 5 HA PRO 5 -33.211 5.832 5.832 31 1HB PRO 5 2HB PRO 5 -31.611 7.975 7.975 32 2HB PRO 5 1HB PRO 5 -32.308 6.503 6.503 33 1HG PRO 5 2HG PRO 5 -33.451 8.866 8.866 34 2HG PRO 5 1HG PRO 5 -34.435 7.419 7.419 35 1HD PRO 5 2HD PRO 5 -33.845 9.700 9.700 36 2HD PRO 5 1HD PRO 5 -35.313 8.711 8.711 37 HA PRO 6 HA PRO 6 -29.554 5.512 5.512 38 1HB PRO 6 2HB PRO 6 -27.806 4.223 4.223 39 2HB PRO 6 1HB PRO 6 -29.162 3.421 3.421 40 1HG PRO 6 2HG PRO 6 -28.956 4.446 4.446 41 2HG PRO 6 1HG PRO 6 -29.656 2.926 2.926 42 1HD PRO 6 2HD PRO 6 -31.185 5.047 5.047 43 2HD PRO 6 1HD PRO 6 -31.625 3.942 3.942 44 H GLY 7 HN GLY 7 -27.656 6.569 6.569 45 1HA GLY 7 2HA GLY 7 -26.983 8.787 8.787 46 2HA GLY 7 1HA GLY 7 -26.378 8.519 8.519 47 H ASP 8 HN ASP 8 -25.590 8.497 8.497 48 HA ASP 8 HA ASP 8 -23.880 6.400 6.400 49 1HB ASP 8 2HB ASP 8 -23.306 9.254 9.254 50 2HB ASP 8 1HB ASP 8 -22.721 7.791 7.791 51 H ILE 9 HN ILE 9 -22.156 5.650 5.650 52 HA ILE 9 HA ILE 9 -20.780 7.350 7.350 53 HB ILE 9 HB ILE 9 -19.701 5.288 5.288 54 1HG1 ILE 9 2HG1 ILE 9 -21.443 3.601 3.601 55 2HG1 ILE 9 1HG1 ILE 9 -20.025 4.318 4.318 56 1HG2 ILE 9 2HG2 ILE 9 -22.694 5.269 5.269 57 2HG2 ILE 9 1HG2 ILE 9 -21.823 4.082 4.082 58 3HG2 ILE 9 3HG2 ILE 9 -21.720 5.797 5.797 59 1HD1 ILE 9 1HD1 ILE 9 -19.745 2.847 2.847 60 2HD1 ILE 9 3HD1 ILE 9 -19.876 1.961 1.961 61 3HD1 ILE 9 2HD1 ILE 9 -18.560 3.110 3.110 62 H ASN 10 HN ASN 10 -18.558 7.718 7.718 63 HA ASN 10 HA ASN 10 -17.329 7.568 7.568 64 1HB ASN 10 2HB ASN 10 -16.832 9.172 9.172 65 2HB ASN 10 1HB ASN 10 -15.514 8.948 8.948 66 1HD2 ASN 10 2HD2 ASN 10 -17.741 11.975 11.975 67 2HD2 ASN 10 1HD2 ASN 10 -17.175 11.306 11.306 68 H THR 11 HN THR 11 -15.355 6.582 6.582 69 HA THR 11 HA THR 11 -14.198 4.961 4.961 70 HB THR 11 HB THR 11 -13.866 3.184 3.184 71 HG1 THR 11 1HG THR 11 -15.502 3.203 3.203 72 1HG2 THR 11 3HG2 THR 11 -15.309 2.950 2.950 73 2HG2 THR 11 2HG2 THR 11 -16.659 3.472 3.472 74 3HG2 THR 11 1HG2 THR 11 -15.781 1.995 1.995 75 H GLN 12 HN GLN 12 -12.005 4.341 4.341 76 HA GLN 12 HA GLN 12 -10.583 5.692 5.692 77 1HB GLN 12 2HB GLN 12 -9.506 5.842 5.842 78 2HB GLN 12 1HB GLN 12 -9.078 6.816 6.816 79 1HG GLN 12 2HG GLN 12 -11.795 6.941 6.941 80 2HG GLN 12 1HG GLN 12 -10.446 7.931 7.931 81 1HE2 GLN 12 2HE2 GLN 12 -12.146 10.121 10.121 82 2HE2 GLN 12 1HE2 GLN 12 -12.268 9.496 9.496 83 HA PRO 13 HA PRO 13 -8.729 5.552 5.552 84 1HB PRO 13 2HB PRO 13 -8.226 3.924 3.924 85 2HB PRO 13 1HB PRO 13 -6.986 4.398 4.398 86 1HG PRO 13 2HG PRO 13 -8.581 1.868 1.868 87 2HG PRO 13 1HG PRO 13 -6.847 2.082 2.082 88 1HD PRO 13 2HD PRO 13 -8.623 1.634 1.634 89 2HD PRO 13 1HD PRO 13 -7.187 2.654 2.654 90 H SER 14 HN SER 14 -9.843 6.095 6.095 91 HA SER 14 HA SER 14 -12.544 5.978 5.978 92 1HB SER 14 2HB SER 14 -10.581 6.443 6.443 93 2HB SER 14 1HB SER 14 -12.238 6.111 6.111 94 HG SER 14 HG SER 14 -11.313 8.395 8.395 95 H GLN 15 HN GLN 15 -10.539 3.773 3.773 96 HA GLN 15 HA GLN 15 -12.088 1.501 1.501 97 1HB GLN 15 2HB GLN 15 -13.471 3.167 3.167 98 2HB GLN 15 1HB GLN 15 -12.633 2.141 2.141 99 1HG GLN 15 2HG GLN 15 -13.556 0.159 0.159 100 2HG GLN 15 1HG GLN 15 -14.479 1.246 1.246 101 1HE2 GLN 15 2HE2 GLN 15 -17.123 1.219 1.219 102 2HE2 GLN 15 1HE2 GLN 15 -16.523 1.160 1.160 103 H LYS 16 HN LYS 16 -9.425 1.823 1.823 104 HA LYS 16 HA LYS 16 -8.550 -0.186 -0.186 105 1HB LYS 16 2HB LYS 16 -6.760 1.378 1.378 106 2HB LYS 16 1HB LYS 16 -8.380 1.339 1.339 107 1HG LYS 16 2HG LYS 16 -8.954 3.401 3.401 108 2HG LYS 16 1HG LYS 16 -7.528 3.379 3.379 109 1HD LYS 16 2HD LYS 16 -7.241 4.938 4.938 110 2HD LYS 16 1HD LYS 16 -6.090 3.605 3.605 111 1HE LYS 16 2HE LYS 16 -7.836 2.500 2.500 112 2HE LYS 16 1HE LYS 16 -8.549 4.109 4.109 113 1HZ LYS 16 1HZ LYS 16 -5.769 4.279 4.279 114 2HZ LYS 16 3HZ LYS 16 -6.411 3.096 3.096 115 3HZ LYS 16 2HZ LYS 16 -7.027 4.670 4.670 116 H ILE 17 HN ILE 17 -7.446 -1.285 -1.285 117 HA ILE 17 HA ILE 17 -5.390 0.159 0.159 118 HB ILE 17 HB ILE 17 -7.160 -0.626 -0.626 119 1HG1 ILE 17 2HG1 ILE 17 -4.663 -2.322 -2.322 120 2HG1 ILE 17 1HG1 ILE 17 -4.815 -0.654 -0.654 121 1HG2 ILE 17 1HG2 ILE 17 -6.847 -3.079 -3.079 122 2HG2 ILE 17 3HG2 ILE 17 -7.063 -3.324 -3.324 123 3HG2 ILE 17 2HG2 ILE 17 -8.268 -2.423 -2.423 124 1HD1 ILE 17 1HD1 ILE 17 -6.918 -2.238 -2.238 125 2HD1 ILE 17 3HD1 ILE 17 -5.353 -2.987 -2.987 126 3HD1 ILE 17 2HD1 ILE 17 -5.650 -1.320 -1.320 127 H VAL 18 HN VAL 18 -3.401 -0.920 -0.920 128 HA VAL 18 HA VAL 18 -2.968 -3.329 -3.329 129 HB VAL 18 HB VAL 18 -1.073 -0.978 -0.978 130 1HG1 VAL 18 3HG1 VAL 18 -0.416 -3.554 -3.554 131 2HG1 VAL 18 2HG1 VAL 18 -0.839 -3.080 -3.080 132 3HG1 VAL 18 1HG1 VAL 18 0.413 -2.200 -2.200 133 1HG2 VAL 18 3HG2 VAL 18 -3.393 -0.977 -0.977 134 2HG2 VAL 18 2HG2 VAL 18 -1.928 -0.176 -0.176 135 3HG2 VAL 18 1HG2 VAL 18 -2.350 -1.778 -1.778 136 H PHE 19 HN PHE 19 -2.789 -4.705 -4.705 137 HA PHE 19 HA PHE 19 -1.457 -4.235 -4.235 138 1HB PHE 19 2HB PHE 19 -2.103 -6.727 -6.727 139 2HB PHE 19 1HB PHE 19 -1.110 -6.830 -6.830 140 HD1 PHE 19 1HD PHE 19 -4.434 -5.993 -5.993 141 HD2 PHE 19 2HD PHE 19 -2.049 -6.517 -6.517 142 HE1 PHE 19 1HE PHE 19 -6.467 -5.999 -5.999 143 HE2 PHE 19 2HE PHE 19 -4.077 -6.525 -6.525 144 HZ PHE 19 HZ PHE 19 -6.290 -6.266 -6.266 145 H ASN 20 HN ASN 20 0.502 -3.249 -3.249 146 HA ASN 20 HA ASN 20 2.514 -3.817 -3.817 147 1HB ASN 20 2HB ASN 20 2.553 -2.557 -2.557 148 2HB ASN 20 1HB ASN 20 4.030 -2.760 -2.760 149 1HD2 ASN 20 2HD2 ASN 20 1.651 0.338 0.338 150 2HD2 ASN 20 1HD2 ASN 20 1.545 -0.709 -0.709 151 H ALA 21 HN ALA 21 4.486 -4.913 -4.913 152 HA ALA 21 HA ALA 21 4.348 -7.506 -7.506 153 1HB ALA 21 2HB ALA 21 6.133 -5.985 -5.985 154 2HB ALA 21 1HB ALA 21 7.046 -6.926 -6.926 155 3HB ALA 21 3HB ALA 21 5.911 -7.732 -7.732 156 HA PRO 22 HA PRO 22 6.385 -8.792 -8.792 157 1HB PRO 22 2HB PRO 22 7.591 -10.425 -10.425 158 2HB PRO 22 1HB PRO 22 8.426 -8.989 -8.989 159 1HG PRO 22 2HG PRO 22 7.193 -9.478 -9.478 160 2HG PRO 22 1HG PRO 22 8.622 -8.520 -8.520 161 1HD PRO 22 2HD PRO 22 5.994 -7.560 -7.560 162 2HD PRO 22 1HD PRO 22 7.374 -6.637 -6.637 163 H TYR 23 HN TYR 23 5.643 -11.001 -11.001 164 HA TYR 23 HA TYR 23 3.235 -11.400 -11.400 165 1HB TYR 23 2HB TYR 23 4.040 -12.589 -12.589 166 2HB TYR 23 1HB TYR 23 2.578 -13.025 -13.025 167 HD1 TYR 23 2HD TYR 23 1.943 -10.210 -10.210 168 HD2 TYR 23 1HD TYR 23 3.001 -11.701 -11.701 169 HE1 TYR 23 2HE TYR 23 0.756 -8.337 -8.337 170 HE2 TYR 23 1HE TYR 23 1.812 -9.826 -9.826 171 HH TYR 23 HH TYR 23 -0.361 -7.895 -7.895 172 H ASP 24 HN ASP 24 5.763 -11.934 -11.934 173 HA ASP 24 HA ASP 24 5.756 -14.872 -14.872 174 1HB ASP 24 2HB ASP 24 7.923 -12.859 -12.859 175 2HB ASP 24 1HB ASP 24 8.103 -14.190 -14.190 176 H ASP 25 HN ASP 25 4.786 -12.136 -12.136 177 HA ASP 25 HA ASP 25 4.604 -13.659 -13.659 178 1HB ASP 25 2HB ASP 25 6.505 -11.609 -11.609 179 2HB ASP 25 1HB ASP 25 5.223 -10.921 -10.921 180 H LYS 26 HN LYS 26 3.622 -11.532 -11.532 181 HA LYS 26 HA LYS 26 0.973 -11.254 -11.254 182 1HB LYS 26 2HB LYS 26 2.015 -10.944 -10.944 183 2HB LYS 26 1HB LYS 26 0.392 -10.443 -10.443 184 1HG LYS 26 2HG LYS 26 -0.112 -12.729 -12.729 185 2HG LYS 26 1HG LYS 26 1.512 -13.227 -13.227 186 1HD LYS 26 2HD LYS 26 0.148 -11.809 -11.809 187 2HD LYS 26 1HD LYS 26 -0.760 -13.226 -13.226 188 1HE LYS 26 2HE LYS 26 2.113 -13.692 -13.692 189 2HE LYS 26 1HE LYS 26 1.301 -13.247 -13.247 190 1HZ LYS 26 3HZ LYS 26 0.176 -15.337 -15.337 191 2HZ LYS 26 2HZ LYS 26 1.411 -15.709 -15.709 192 3HZ LYS 26 1HZ LYS 26 -0.062 -15.097 -15.097 193 H HIS 27 HN HIS 27 -0.050 -9.326 -9.326 194 HA HIS 27 HA HIS 27 1.095 -6.819 -6.819 195 1HB HIS 27 2HB HIS 27 1.071 -6.099 -6.099 196 2HB HIS 27 1HB HIS 27 2.502 -6.822 -6.822 197 HD1 HIS 27 1HD HIS 27 -0.385 -9.026 -9.026 198 HD2 HIS 27 2HD HIS 27 3.297 -7.864 -7.864 199 HE1 HIS 27 1HE HIS 27 0.118 -10.603 -10.603 200 H THR 28 HN THR 28 -0.904 -6.463 -6.463 201 HA THR 28 HA THR 28 -3.318 -6.620 -6.620 202 HB THR 28 HB THR 28 -2.917 -5.529 -5.529 203 HG1 THR 28 1HG THR 28 -2.654 -7.528 -7.528 204 1HG2 THR 28 2HG2 THR 28 -5.235 -5.671 -5.671 205 2HG2 THR 28 1HG2 THR 28 -5.430 -6.720 -6.720 206 3HG2 THR 28 3HG2 THR 28 -5.061 -5.010 -5.010 207 H TYR 29 HN TYR 29 -4.589 -4.943 -4.943 208 HA TYR 29 HA TYR 29 -3.412 -2.247 -2.247 209 1HB TYR 29 2HB TYR 29 -4.822 -3.557 -3.557 210 2HB TYR 29 1HB TYR 29 -4.433 -1.842 -1.842 211 HD1 TYR 29 1HD TYR 29 -2.685 -5.114 -5.114 212 HD2 TYR 29 2HD TYR 29 -2.528 -1.183 -1.183 213 HE1 TYR 29 1HE TYR 29 -0.454 -5.588 -5.588 214 HE2 TYR 29 2HE TYR 29 -0.297 -1.646 -1.646 215 HH TYR 29 HH TYR 29 1.597 -4.180 -4.180 216 H HIS 30 HN HIS 30 -4.713 -0.690 -0.690 217 HA HIS 30 HA HIS 30 -7.477 -1.426 -1.426 218 1HB HIS 30 2HB HIS 30 -7.316 0.754 0.754 219 2HB HIS 30 1HB HIS 30 -6.445 -0.670 -0.670 220 HD1 HIS 30 1HD HIS 30 -5.849 2.702 2.702 221 HD2 HIS 30 2HD HIS 30 -3.714 -0.443 -0.443 222 HE1 HIS 30 1HE HIS 30 -3.470 3.520 3.520 223 H ILE 31 HN ILE 31 -9.205 -0.455 -0.455 224 HA ILE 31 HA ILE 31 -8.748 1.602 1.602 225 HB ILE 31 HB ILE 31 -11.336 0.137 0.137 226 1HG1 ILE 31 2HG1 ILE 31 -9.486 -1.506 -1.506 227 2HG1 ILE 31 1HG1 ILE 31 -10.656 -1.539 -1.539 228 1HG2 ILE 31 2HG2 ILE 31 -11.127 2.222 2.222 229 2HG2 ILE 31 1HG2 ILE 31 -10.225 1.200 1.200 230 3HG2 ILE 31 3HG2 ILE 31 -11.896 0.805 0.805 231 1HD1 ILE 31 1HD1 ILE 31 -9.077 -0.068 -0.068 232 2HD1 ILE 31 3HD1 ILE 31 -7.893 -0.367 -0.367 233 3HD1 ILE 31 2HD1 ILE 31 -8.514 -1.710 -1.710 234 H LYS 32 HN LYS 32 -10.015 3.506 3.506 235 HA LYS 32 HA LYS 32 -11.001 4.300 4.300 236 1HB LYS 32 2HB LYS 32 -9.441 5.601 5.601 237 2HB LYS 32 1HB LYS 32 -10.951 6.489 6.489 238 1HG LYS 32 2HG LYS 32 -10.534 6.490 6.490 239 2HG LYS 32 1HG LYS 32 -8.906 5.922 5.922 240 1HD LYS 32 2HD LYS 32 -9.165 8.029 8.029 241 2HD LYS 32 1HD LYS 32 -10.098 8.583 8.583 242 1HE LYS 32 2HE LYS 32 -7.785 7.444 7.444 243 2HE LYS 32 1HE LYS 32 -7.239 8.365 8.365 244 1HZ LYS 32 1HZ LYS 32 -8.870 10.132 10.132 245 2HZ LYS 32 3HZ LYS 32 -8.426 9.302 9.302 246 3HZ LYS 32 2HZ LYS 32 -7.241 10.017 10.017 247 H ILE 33 HN ILE 33 -13.091 4.563 4.563 248 HA ILE 33 HA ILE 33 -14.921 4.913 4.913 249 HB ILE 33 HB ILE 33 -15.524 3.336 3.336 250 1HG1 ILE 33 2HG1 ILE 33 -15.188 2.223 2.223 251 2HG1 ILE 33 1HG1 ILE 33 -13.840 2.333 2.333 252 1HG2 ILE 33 3HG2 ILE 33 -17.115 4.194 4.194 253 2HG2 ILE 33 2HG2 ILE 33 -17.416 2.584 2.584 254 3HG2 ILE 33 1HG2 ILE 33 -17.596 4.001 4.001 255 1HD1 ILE 33 2HD1 ILE 33 -15.557 1.070 1.070 256 2HD1 ILE 33 1HD1 ILE 33 -16.190 0.540 0.540 257 3HD1 ILE 33 3HD1 ILE 33 -14.509 0.218 0.218 258 H THR 34 HN THR 34 -16.854 6.103 6.103 259 HA THR 34 HA THR 34 -17.119 7.474 7.474 260 HB THR 34 HB THR 34 -16.472 8.983 8.983 261 HG1 THR 34 1HG THR 34 -14.603 8.412 8.412 262 1HG2 THR 34 1HG2 THR 34 -17.252 10.080 10.080 263 2HG2 THR 34 3HG2 THR 34 -16.653 11.020 11.020 264 3HG2 THR 34 2HG2 THR 34 -18.200 10.181 10.181 265 H ASN 35 HN ASN 35 -19.102 8.654 8.654 266 HA ASN 35 HA ASN 35 -21.147 7.668 7.668 267 1HB ASN 35 2HB ASN 35 -21.358 7.101 7.101 268 2HB ASN 35 1HB ASN 35 -21.547 8.819 8.819 269 1HD2 ASN 35 2HD2 ASN 35 -24.970 8.271 8.271 270 2HD2 ASN 35 1HD2 ASN 35 -23.608 8.675 8.675 271 H ALA 36 HN ALA 36 -20.686 9.301 9.301 272 HA ALA 36 HA ALA 36 -20.686 12.042 12.042 273 1HB ALA 36 3HB ALA 36 -20.148 10.736 10.736 274 2HB ALA 36 2HB ALA 36 -21.882 10.773 10.773 275 3HB ALA 36 1HB ALA 36 -20.975 12.282 12.282 276 H GLY 37 HN GLY 37 -23.321 9.808 9.808 277 1HA GLY 37 2HA GLY 37 -25.402 11.717 11.717 278 2HA GLY 37 1HA GLY 37 -25.606 10.097 10.097 279 H GLY 38 HN GLY 38 -27.206 11.085 11.085 280 1HA GLY 38 2HA GLY 38 -25.920 12.136 12.136 281 2HA GLY 38 1HA GLY 38 -27.279 13.012 13.012 282 H ARG 39 HN ARG 39 -26.729 9.524 9.524 283 HA ARG 39 HA ARG 39 -28.665 9.331 9.331 284 1HB ARG 39 2HB ARG 39 -29.603 9.185 9.185 285 2HB ARG 39 1HB ARG 39 -29.587 7.533 7.533 286 1HG ARG 39 2HG ARG 39 -30.694 9.321 9.321 287 2HG ARG 39 1HG ARG 39 -31.541 9.467 9.467 288 1HD ARG 39 2HD ARG 39 -30.941 6.727 6.727 289 2HD ARG 39 1HD ARG 39 -32.157 7.627 7.627 290 HE ARG 39 HE ARG 39 -32.655 7.793 7.793 291 1HH1 ARG 39 1HH2 ARG 39 -32.883 5.620 5.620 292 2HH1 ARG 39 2HH2 ARG 39 -34.196 4.713 4.713 293 1HH2 ARG 39 1HH1 ARG 39 -34.385 6.606 6.606 294 2HH2 ARG 39 2HH1 ARG 39 -35.050 5.273 5.273 295 H ARG 40 HN ARG 40 -28.419 7.486 7.486 296 HA ARG 40 HA ARG 40 -26.080 6.043 6.043 297 1HB ARG 40 2HB ARG 40 -28.726 5.058 5.058 298 2HB ARG 40 1HB ARG 40 -27.137 4.447 4.447 299 1HG ARG 40 2HG ARG 40 -26.711 6.950 6.950 300 2HG ARG 40 1HG ARG 40 -28.472 6.987 6.987 301 1HD ARG 40 2HD ARG 40 -27.649 6.448 6.448 302 2HD ARG 40 1HD ARG 40 -28.325 4.969 4.969 303 HE ARG 40 HE ARG 40 -25.705 4.813 4.813 304 1HH1 ARG 40 1HH2 ARG 40 -27.396 5.368 5.368 305 2HH1 ARG 40 2HH2 ARG 40 -26.172 4.630 4.630 306 1HH2 ARG 40 1HH1 ARG 40 -24.087 3.838 3.838 307 2HH2 ARG 40 2HH1 ARG 40 -24.290 3.762 3.762 308 H ILE 41 HN ILE 41 -25.378 4.188 4.188 309 HA ILE 41 HA ILE 41 -27.254 2.700 2.700 310 HB ILE 41 HB ILE 41 -25.205 2.543 2.543 311 1HG1 ILE 41 2HG1 ILE 41 -24.785 5.377 5.377 312 2HG1 ILE 41 1HG1 ILE 41 -23.937 4.093 4.093 313 1HG2 ILE 41 1HG2 ILE 41 -27.267 4.695 4.695 314 2HG2 ILE 41 3HG2 ILE 41 -26.110 4.700 4.700 315 3HG2 ILE 41 2HG2 ILE 41 -27.191 3.324 3.324 316 1HD1 ILE 41 2HD1 ILE 41 -23.816 4.174 4.174 317 2HD1 ILE 41 1HD1 ILE 41 -22.836 5.299 5.299 318 3HD1 ILE 41 3HD1 ILE 41 -22.640 3.561 3.561 319 H GLY 42 HN GLY 42 -26.060 0.713 0.713 320 1HA GLY 42 2HA GLY 42 -24.223 -0.420 -0.420 321 2HA GLY 42 1HA GLY 42 -25.642 -1.320 -1.320 322 H TRP 43 HN TRP 43 -22.419 -0.380 -0.380 323 HA TRP 43 HA TRP 43 -22.563 -1.470 -1.470 324 1HB TRP 43 2HB TRP 43 -20.237 -0.701 -0.701 325 2HB TRP 43 1HB TRP 43 -21.307 0.592 0.592 326 HD1 TRP 43 1HD TRP 43 -21.184 1.170 1.170 327 HE1 TRP 43 1HE TRP 43 -19.133 1.147 1.147 328 HE3 TRP 43 3HE TRP 43 -18.067 -1.755 -1.755 329 HZ2 TRP 43 2HZ TRP 43 -16.537 0.040 0.040 330 HZ3 TRP 43 3HZ TRP 43 -15.816 -2.246 -2.246 331 HH2 TRP 43 2HH TRP 43 -15.069 -1.366 -1.366 332 H ALA 44 HN ALA 44 -21.111 -3.085 -3.085 333 HA ALA 44 HA ALA 44 -19.839 -4.811 -4.811 334 1HB ALA 44 1HB ALA 44 -22.077 -5.701 -5.701 335 2HB ALA 44 3HB ALA 44 -20.948 -6.822 -6.822 336 3HB ALA 44 2HB ALA 44 -21.993 -5.809 -5.809 337 H ILE 45 HN ILE 45 -18.409 -6.394 -6.394 338 HA ILE 45 HA ILE 45 -17.619 -5.660 -5.660 339 HB ILE 45 HB ILE 45 -15.624 -6.532 -6.532 340 1HG1 ILE 45 2HG1 ILE 45 -15.084 -4.009 -4.009 341 2HG1 ILE 45 1HG1 ILE 45 -16.713 -3.775 -3.775 342 1HG2 ILE 45 2HG2 ILE 45 -15.416 -5.033 -5.033 343 2HG2 ILE 45 1HG2 ILE 45 -14.066 -5.343 -5.343 344 3HG2 ILE 45 3HG2 ILE 45 -14.900 -6.690 -6.690 345 1HD1 ILE 45 2HD1 ILE 45 -16.836 -5.574 -5.574 346 2HD1 ILE 45 1HD1 ILE 45 -15.897 -4.157 -4.157 347 3HD1 ILE 45 3HD1 ILE 45 -17.534 -3.961 -3.961 348 H LYS 46 HN LYS 46 -16.732 -7.280 -7.280 349 HA LYS 46 HA LYS 46 -16.455 -9.977 -9.977 350 1HB LYS 46 2HB LYS 46 -18.742 -9.259 -9.259 351 2HB LYS 46 1HB LYS 46 -18.160 -10.899 -10.899 352 1HG LYS 46 2HG LYS 46 -18.672 -10.657 -10.657 353 2HG LYS 46 1HG LYS 46 -19.395 -9.087 -9.087 354 1HD LYS 46 2HD LYS 46 -21.179 -10.644 -10.644 355 2HD LYS 46 1HD LYS 46 -20.894 -10.289 -10.289 356 1HE LYS 46 2HE LYS 46 -20.125 -12.378 -12.378 357 2HE LYS 46 1HE LYS 46 -19.407 -12.572 -12.572 358 1HZ LYS 46 1HZ LYS 46 -22.337 -12.590 -12.590 359 2HZ LYS 46 3HZ LYS 46 -21.406 -13.999 -13.999 360 3HZ LYS 46 2HZ LYS 46 -21.466 -13.142 -13.142 361 H THR 47 HN THR 47 -14.976 -11.009 -11.009 362 HA THR 47 HA THR 47 -14.217 -9.783 -9.783 363 HB THR 47 HB THR 47 -11.985 -10.568 -10.568 364 HG1 THR 47 1HG THR 47 -12.990 -11.897 -11.897 365 1HG2 THR 47 3HG2 THR 47 -13.084 -9.451 -9.451 366 2HG2 THR 47 2HG2 THR 47 -11.369 -9.603 -9.603 367 3HG2 THR 47 1HG2 THR 47 -12.396 -8.547 -8.547 368 H THR 48 HN THR 48 -13.431 -11.194 -11.194 369 HA THR 48 HA THR 48 -15.177 -13.210 -13.210 370 HB THR 48 HB THR 48 -13.064 -13.955 -13.955 371 HG1 THR 48 1HG THR 48 -11.645 -12.609 -12.609 372 1HG2 THR 48 1HG2 THR 48 -14.792 -11.546 -11.546 373 2HG2 THR 48 3HG2 THR 48 -13.495 -11.861 -11.861 374 3HG2 THR 48 2HG2 THR 48 -14.779 -13.048 -13.048 375 H ASN 49 HN ASN 49 -12.299 -13.373 -13.373 376 HA ASN 49 HA ASN 49 -12.791 -16.248 -16.248 377 1HB ASN 49 2HB ASN 49 -10.271 -14.819 -14.819 378 2HB ASN 49 1HB ASN 49 -10.166 -16.080 -16.080 379 1HD2 ASN 49 2HD2 ASN 49 -10.703 -16.987 -16.987 380 2HD2 ASN 49 1HD2 ASN 49 -10.765 -15.360 -15.360 381 H MET 50 HN MET 50 -13.439 -16.629 -16.629 382 HA MET 50 HA MET 50 -12.860 -14.702 -14.702 383 1HB MET 50 2HB MET 50 -14.855 -16.849 -16.849 384 2HB MET 50 1HB MET 50 -14.359 -16.568 -16.568 385 1HG MET 50 2HG MET 50 -14.873 -14.055 -14.055 386 2HG MET 50 1HG MET 50 -16.233 -15.130 -15.130 387 1HE MET 50 3HE MET 50 -15.249 -12.524 -12.524 388 2HE MET 50 2HE MET 50 -16.609 -12.397 -12.397 389 3HE MET 50 1HE MET 50 -14.995 -12.760 -12.760 390 H ARG 51 HN ARG 51 -10.906 -16.777 -16.777 391 HA ARG 51 HA ARG 51 -10.211 -18.112 -18.112 392 1HB ARG 51 2HB ARG 51 -8.961 -18.847 -18.847 393 2HB ARG 51 1HB ARG 51 -9.227 -19.842 -19.842 394 1HG ARG 51 2HG ARG 51 -11.727 -19.583 -19.583 395 2HG ARG 51 1HG ARG 51 -11.169 -19.057 -19.057 396 1HD ARG 51 2HD ARG 51 -9.684 -21.300 -21.300 397 2HD ARG 51 1HD ARG 51 -11.163 -21.730 -21.730 398 HE ARG 51 HE ARG 51 -11.849 -20.650 -20.650 399 1HH1 ARG 51 1HH2 ARG 51 -10.318 -23.468 -23.468 400 2HH1 ARG 51 2HH2 ARG 51 -10.789 -24.510 -24.510 401 1HH2 ARG 51 1HH1 ARG 51 -12.475 -22.013 -22.013 402 2HH2 ARG 51 2HH1 ARG 51 -12.015 -23.683 -23.683 403 H ARG 52 HN ARG 52 -8.864 -16.292 -16.292 404 HA ARG 52 HA ARG 52 -6.303 -16.006 -16.006 405 1HB ARG 52 2HB ARG 52 -7.412 -15.459 -15.459 406 2HB ARG 52 1HB ARG 52 -6.238 -14.271 -14.271 407 1HG ARG 52 2HG ARG 52 -4.839 -15.741 -15.741 408 2HG ARG 52 1HG ARG 52 -4.857 -16.439 -16.439 409 1HD ARG 52 2HD ARG 52 -7.054 -17.559 -17.559 410 2HD ARG 52 1HD ARG 52 -5.759 -17.564 -17.564 411 HE ARG 52 HE ARG 52 -4.748 -18.528 -18.528 412 1HH1 ARG 52 1HH2 ARG 52 -6.972 -19.441 -19.441 413 2HH1 ARG 52 2HH2 ARG 52 -6.738 -21.142 -21.142 414 1HH2 ARG 52 1HH1 ARG 52 -4.432 -20.764 -20.764 415 2HH2 ARG 52 2HH1 ARG 52 -5.293 -21.895 -21.895 416 H LEU 53 HN LEU 53 -8.748 -13.705 -13.705 417 HA LEU 53 HA LEU 53 -7.652 -11.601 -11.601 418 1HB LEU 53 2HB LEU 53 -10.176 -11.513 -11.513 419 2HB LEU 53 1HB LEU 53 -9.227 -10.154 -10.154 420 HG LEU 53 HG LEU 53 -7.908 -12.103 -12.103 421 1HD1 LEU 53 3HD1 LEU 53 -10.109 -11.694 -11.694 422 2HD1 LEU 53 2HD1 LEU 53 -9.797 -9.960 -9.960 423 3HD1 LEU 53 1HD1 LEU 53 -8.786 -11.001 -11.001 424 1HD2 LEU 53 3HD2 LEU 53 -6.976 -9.934 -9.934 425 2HD2 LEU 53 2HD2 LEU 53 -6.500 -10.365 -10.365 426 3HD2 LEU 53 1HD2 LEU 53 -7.742 -9.140 -9.140 427 H SER 54 HN SER 54 -8.569 -10.700 -10.700 428 HA SER 54 HA SER 54 -11.122 -11.762 -11.762 429 1HB SER 54 2HB SER 54 -9.008 -11.534 -11.534 430 2HB SER 54 1HB SER 54 -10.332 -12.690 -12.690 431 HG SER 54 HG SER 54 -7.754 -12.895 -12.895 432 H VAL 55 HN VAL 55 -12.297 -9.965 -9.965 433 HA VAL 55 HA VAL 55 -11.184 -7.407 -7.407 434 HB VAL 55 HB VAL 55 -13.651 -6.741 -6.741 435 1HG1 VAL 55 1HG1 VAL 55 -12.041 -7.565 -7.565 436 2HG1 VAL 55 3HG1 VAL 55 -13.771 -7.491 -7.491 437 3HG1 VAL 55 2HG1 VAL 55 -12.929 -6.068 -6.068 438 1HG2 VAL 55 3HG2 VAL 55 -14.177 -9.321 -9.321 439 2HG2 VAL 55 2HG2 VAL 55 -15.316 -8.226 -8.226 440 3HG2 VAL 55 1HG2 VAL 55 -14.274 -9.262 -9.262 441 H ASP 56 HN ASP 56 -11.668 -6.083 -6.083 442 HA ASP 56 HA ASP 56 -13.049 -7.062 -7.062 443 1HB ASP 56 2HB ASP 56 -10.125 -7.489 -7.489 444 2HB ASP 56 1HB ASP 56 -10.720 -6.849 -6.849 445 HA PRO 57 HA PRO 57 -14.285 -6.215 -6.215 446 1HB PRO 57 2HB PRO 57 -16.294 -4.420 -4.420 447 2HB PRO 57 1HB PRO 57 -15.076 -4.530 -4.530 448 1HG PRO 57 2HG PRO 57 -15.245 -2.613 -2.613 449 2HG PRO 57 1HG PRO 57 -14.856 -2.290 -2.290 450 1HD PRO 57 2HD PRO 57 -12.959 -2.517 -2.517 451 2HD PRO 57 1HD PRO 57 -12.670 -2.962 -2.962 452 HA PRO 58 HA PRO 58 -15.925 -6.954 -6.954 453 1HB PRO 58 2HB PRO 58 -17.626 -8.952 -8.952 454 2HB PRO 58 1HB PRO 58 -15.872 -9.176 -9.176 455 1HG PRO 58 2HG PRO 58 -17.755 -8.708 -8.708 456 2HG PRO 58 1HG PRO 58 -16.400 -9.846 -9.846 457 1HD PRO 58 2HD PRO 58 -16.236 -7.437 -7.437 458 2HD PRO 58 1HD PRO 58 -14.845 -8.236 -8.236 459 H CYS 59 HN CYS 59 -17.638 -5.568 -5.568 460 HA CYS 59 HA CYS 59 -19.567 -4.404 -4.404 461 1HB CYS 59 2HB CYS 59 -21.560 -5.397 -5.397 462 2HB CYS 59 1HB CYS 59 -20.823 -6.380 -6.380 463 HG CYS 59 HG CYS 59 -20.302 -8.085 -8.085 464 H GLY 60 HN GLY 60 -20.684 -2.704 -2.704 465 1HA GLY 60 2HA GLY 60 -20.685 -2.308 -2.308 466 2HA GLY 60 1HA GLY 60 -19.431 -1.352 -1.352 467 H VAL 61 HN VAL 61 -21.192 0.095 0.095 468 HA VAL 61 HA VAL 61 -23.207 0.964 0.964 469 HB VAL 61 HB VAL 61 -23.080 1.826 1.826 470 1HG1 VAL 61 3HG1 VAL 61 -24.490 2.940 2.940 471 2HG1 VAL 61 2HG1 VAL 61 -25.580 1.596 1.596 472 3HG1 VAL 61 1HG1 VAL 61 -25.157 2.729 2.729 473 1HG2 VAL 61 3HG2 VAL 61 -24.000 -0.727 -0.727 474 2HG2 VAL 61 2HG2 VAL 61 -23.434 -0.357 -0.357 475 3HG2 VAL 61 1HG2 VAL 61 -25.087 0.037 0.037 476 H LEU 62 HN LEU 62 -22.832 2.754 2.754 477 HA LEU 62 HA LEU 62 -20.675 4.534 4.534 478 1HB LEU 62 2HB LEU 62 -21.545 3.566 3.566 479 2HB LEU 62 1HB LEU 62 -21.973 5.266 5.266 480 HG LEU 62 HG LEU 62 -19.776 4.900 4.900 481 1HD1 LEU 62 1HD1 LEU 62 -20.269 6.591 6.591 482 2HD1 LEU 62 3HD1 LEU 62 -18.556 6.266 6.266 483 3HD1 LEU 62 2HD1 LEU 62 -19.531 6.981 6.981 484 1HD2 LEU 62 2HD2 LEU 62 -19.442 3.179 3.179 485 2HD2 LEU 62 1HD2 LEU 62 -18.458 3.314 3.314 486 3HD2 LEU 62 3HD2 LEU 62 -18.137 4.364 4.364 487 H ASP 63 HN ASP 63 -21.039 6.431 6.431 488 HA ASP 63 HA ASP 63 -23.747 7.351 7.351 489 1HB ASP 63 2HB ASP 63 -21.085 8.435 8.435 490 2HB ASP 63 1HB ASP 63 -22.641 9.141 9.141 491 HA PRO 64 HA PRO 64 -24.240 10.467 10.467 492 1HB PRO 64 2HB PRO 64 -24.411 12.492 12.492 493 2HB PRO 64 1HB PRO 64 -25.525 12.181 12.181 494 1HG PRO 64 2HG PRO 64 -26.113 11.379 11.379 495 2HG PRO 64 1HG PRO 64 -26.500 10.364 10.364 496 1HD PRO 64 2HD PRO 64 -24.307 10.077 10.077 497 2HD PRO 64 1HD PRO 64 -25.250 8.823 8.823 498 H LYS 65 HN LYS 65 -22.235 10.593 10.593 499 HA LYS 65 HA LYS 65 -20.332 11.628 11.628 500 1HB LYS 65 2HB LYS 65 -20.883 13.754 13.754 501 2HB LYS 65 1HB LYS 65 -19.890 13.900 13.900 502 1HG LYS 65 2HG LYS 65 -21.806 13.796 13.796 503 2HG LYS 65 1HG LYS 65 -22.854 13.392 13.392 504 1HD LYS 65 2HD LYS 65 -23.161 15.712 15.712 505 2HD LYS 65 1HD LYS 65 -22.274 15.600 15.600 506 1HE LYS 65 2HE LYS 65 -20.499 16.655 16.655 507 2HE LYS 65 1HE LYS 65 -20.510 15.666 15.666 508 1HZ LYS 65 1HZ LYS 65 -22.587 17.698 17.698 509 2HZ LYS 65 3HZ LYS 65 -21.010 18.252 18.252 510 3HZ LYS 65 2HZ LYS 65 -21.724 17.182 17.182 511 H GLU 66 HN GLU 66 -20.081 9.578 9.578 512 HA GLU 66 HA GLU 66 -17.980 10.459 10.459 513 1HB GLU 66 2HB GLU 66 -19.357 9.319 9.319 514 2HB GLU 66 1HB GLU 66 -20.095 8.402 8.402 515 1HG GLU 66 2HG GLU 66 -19.029 6.848 6.848 516 2HG GLU 66 1HG GLU 66 -18.023 6.988 6.988 517 H LYS 67 HN LYS 67 -16.043 9.197 9.197 518 HA LYS 67 HA LYS 67 -15.397 7.849 7.849 519 1HB LYS 67 2HB LYS 67 -13.105 8.524 8.524 520 2HB LYS 67 1HB LYS 67 -14.139 9.938 9.938 521 1HG LYS 67 2HG LYS 67 -13.977 9.807 9.807 522 2HG LYS 67 1HG LYS 67 -12.965 8.368 8.368 523 1HD LYS 67 2HD LYS 67 -11.248 9.639 9.639 524 2HD LYS 67 1HD LYS 67 -12.274 11.074 11.074 525 1HE LYS 67 2HE LYS 67 -12.283 10.577 10.577 526 2HE LYS 67 1HE LYS 67 -10.730 9.849 9.849 527 1HZ LYS 67 1HZ LYS 67 -10.217 12.017 12.017 528 2HZ LYS 67 3HZ LYS 67 -11.578 12.660 12.660 529 3HZ LYS 67 2HZ LYS 67 -10.284 12.074 12.074 530 H VAL 68 HN VAL 68 -14.559 5.832 5.832 531 HA VAL 68 HA VAL 68 -13.845 4.606 4.606 532 HB VAL 68 HB VAL 68 -16.154 3.944 3.944 533 1HG1 VAL 68 1HG1 VAL 68 -15.069 2.914 2.914 534 2HG1 VAL 68 3HG1 VAL 68 -16.671 2.543 2.543 535 3HG1 VAL 68 2HG1 VAL 68 -16.247 4.205 4.205 536 1HG2 VAL 68 2HG2 VAL 68 -14.274 2.342 2.342 537 2HG2 VAL 68 1HG2 VAL 68 -15.880 1.712 1.712 538 3HG2 VAL 68 3HG2 VAL 68 -14.565 1.508 1.508 539 H LEU 69 HN LEU 69 -12.293 2.989 2.989 540 HA LEU 69 HA LEU 69 -10.928 2.778 2.778 541 1HB LEU 69 2HB LEU 69 -9.805 3.743 3.743 542 2HB LEU 69 1HB LEU 69 -9.654 2.060 2.060 543 HG LEU 69 HG LEU 69 -8.480 1.712 1.712 544 1HD1 LEU 69 3HD1 LEU 69 -8.547 4.710 4.710 545 2HD1 LEU 69 2HD1 LEU 69 -7.314 3.837 3.837 546 3HD1 LEU 69 1HD1 LEU 69 -9.014 3.663 3.663 547 1HD2 LEU 69 3HD2 LEU 69 -7.426 1.845 1.845 548 2HD2 LEU 69 2HD2 LEU 69 -6.374 2.218 2.218 549 3HD2 LEU 69 1HD2 LEU 69 -7.036 3.523 3.523 550 H MET 70 HN MET 70 -11.188 0.936 0.936 551 HA MET 70 HA MET 70 -11.839 -1.493 -1.493 552 1HB MET 70 2HB MET 70 -13.448 -0.973 -0.973 553 2HB MET 70 1HB MET 70 -12.178 -0.783 -0.783 554 1HG MET 70 2HG MET 70 -12.043 -3.392 -3.392 555 2HG MET 70 1HG MET 70 -13.661 -3.075 -3.075 556 1HE MET 70 3HE MET 70 -14.085 -2.128 -2.128 557 2HE MET 70 2HE MET 70 -12.752 -0.975 -0.975 558 3HE MET 70 1HE MET 70 -12.894 -2.160 -2.160 559 H ALA 71 HN ALA 71 -10.693 -3.428 -3.428 560 HA ALA 71 HA ALA 71 -8.042 -3.051 -3.051 561 1HB ALA 71 1HB ALA 71 -8.015 -3.368 -3.368 562 2HB ALA 71 3HB ALA 71 -8.770 -4.947 -4.947 563 3HB ALA 71 2HB ALA 71 -7.158 -4.642 -4.642 564 H VAL 72 HN VAL 72 -7.249 -4.559 -4.559 565 HA VAL 72 HA VAL 72 -9.016 -6.821 -6.821 566 HB VAL 72 HB VAL 72 -7.391 -5.208 -5.208 567 1HG1 VAL 72 3HG1 VAL 72 -8.762 -7.770 -7.770 568 2HG1 VAL 72 2HG1 VAL 72 -9.301 -6.641 -6.641 569 3HG1 VAL 72 1HG1 VAL 72 -7.592 -7.055 -7.055 570 1HG2 VAL 72 1HG2 VAL 72 -9.379 -4.021 -4.021 571 2HG2 VAL 72 3HG2 VAL 72 -9.410 -4.218 -4.218 572 3HG2 VAL 72 2HG2 VAL 72 -10.390 -5.269 -5.269 573 H SER 73 HN SER 73 -7.716 -8.163 -8.163 574 HA SER 73 HA SER 73 -4.949 -8.426 -8.426 575 1HB SER 73 2HB SER 73 -7.190 -10.034 -10.034 576 2HB SER 73 1HB SER 73 -5.765 -10.976 -10.976 577 HG SER 73 HG SER 73 -5.247 -10.383 -10.383 578 H CYS 74 HN CYS 74 -3.583 -9.285 -9.285 579 HA CYS 74 HA CYS 74 -4.681 -10.985 -10.985 580 1HB CYS 74 2HB CYS 74 -3.760 -8.470 -8.470 581 2HB CYS 74 1HB CYS 74 -2.271 -9.386 -9.386 582 HG CYS 74 HG CYS 74 -3.490 -9.161 -9.161 583 H ASP 75 HN ASP 75 -3.819 -12.948 -12.948 584 HA ASP 75 HA ASP 75 -1.362 -13.462 -13.462 585 1HB ASP 75 2HB ASP 75 -3.399 -15.318 -15.318 586 2HB ASP 75 1HB ASP 75 -1.947 -15.868 -15.868 587 H THR 76 HN THR 76 0.521 -14.164 -14.164 588 HA THR 76 HA THR 76 1.249 -13.443 -13.443 589 HB THR 76 HB THR 76 3.047 -13.842 -13.842 590 HG1 THR 76 1HG THR 76 4.109 -15.753 -15.753 591 1HG2 THR 76 3HG2 THR 76 1.416 -15.909 -15.909 592 2HG2 THR 76 2HG2 THR 76 3.028 -16.534 -16.534 593 3HG2 THR 76 1HG2 THR 76 2.835 -15.114 -15.114 594 H PHE 77 HN PHE 77 1.966 -14.846 -14.846 595 HA PHE 77 HA PHE 77 0.911 -17.460 -17.460 596 1HB PHE 77 2HB PHE 77 -0.867 -17.072 -17.072 597 2HB PHE 77 1HB PHE 77 -1.178 -16.054 -16.054 598 HD1 PHE 77 2HD PHE 77 -0.471 -13.605 -13.605 599 HD2 PHE 77 1HD PHE 77 -0.779 -16.157 -16.157 600 HE1 PHE 77 2HE PHE 77 -0.626 -11.634 -11.634 601 HE2 PHE 77 1HE PHE 77 -0.932 -14.191 -14.191 602 HZ PHE 77 HZ PHE 77 -0.855 -11.925 -11.925 603 H ASN 78 HN ASN 78 0.575 -17.450 -17.450 604 HA ASN 78 HA ASN 78 3.286 -16.705 -16.705 605 1HB ASN 78 2HB ASN 78 1.568 -19.060 -19.060 606 2HB ASN 78 1HB ASN 78 3.051 -18.609 -18.609 607 1HD2 ASN 78 2HD2 ASN 78 4.375 -21.060 -21.060 608 2HD2 ASN 78 1HD2 ASN 78 3.672 -20.802 -20.802 609 H ALA 79 HN ALA 79 3.345 -15.155 -15.155 610 HA ALA 79 HA ALA 79 0.963 -14.688 -14.688 611 1HB ALA 79 3HB ALA 79 1.785 -12.852 -12.852 612 2HB ALA 79 2HB ALA 79 3.224 -12.765 -12.765 613 3HB ALA 79 1HB ALA 79 1.637 -12.420 -12.420 614 H ALA 80 HN ALA 80 3.332 -16.589 -16.589 615 HA ALA 80 HA ALA 80 4.401 -15.515 -15.515 616 1HB ALA 80 1HB ALA 80 5.574 -16.973 -16.973 617 2HB ALA 80 3HB ALA 80 5.348 -18.153 -18.153 618 3HB ALA 80 2HB ALA 80 6.256 -16.671 -16.671 619 H THR 81 HN THR 81 2.337 -18.029 -18.029 620 HA THR 81 HA THR 81 1.575 -18.719 -18.719 621 HB THR 81 HB THR 81 1.481 -21.100 -21.100 622 HG1 THR 81 1HG THR 81 1.245 -20.772 -20.772 623 1HG2 THR 81 2HG2 THR 81 3.576 -20.092 -20.092 624 2HG2 THR 81 1HG2 THR 81 4.212 -20.075 -20.075 625 3HG2 THR 81 3HG2 THR 81 3.778 -21.605 -21.605 626 H GLU 82 HN GLU 82 0.181 -16.961 -16.961 627 HA GLU 82 HA GLU 82 -2.311 -18.428 -18.428 628 1HB GLU 82 2HB GLU 82 -0.917 -16.796 -16.796 629 2HB GLU 82 1HB GLU 82 -2.666 -16.979 -16.979 630 1HG GLU 82 2HG GLU 82 -0.620 -19.176 -19.176 631 2HG GLU 82 1HG GLU 82 -1.675 -18.593 -18.593 632 H ASP 83 HN ASP 83 -4.118 -17.282 -17.282 633 HA ASP 83 HA ASP 83 -3.918 -15.113 -15.113 634 1HB ASP 83 2HB ASP 83 -6.065 -16.597 -16.597 635 2HB ASP 83 1HB ASP 83 -6.472 -14.899 -14.899 636 H LEU 84 HN LEU 84 -4.301 -12.907 -12.907 637 HA LEU 84 HA LEU 84 -4.373 -11.844 -11.844 638 1HB LEU 84 2HB LEU 84 -2.732 -10.580 -10.580 639 2HB LEU 84 1HB LEU 84 -2.685 -10.257 -10.257 640 HG LEU 84 HG LEU 84 -1.766 -12.828 -12.828 641 1HD1 LEU 84 1HD1 LEU 84 -0.385 -10.830 -10.830 642 2HD1 LEU 84 3HD1 LEU 84 -0.087 -10.612 -10.612 643 3HD1 LEU 84 2HD1 LEU 84 0.472 -12.073 -12.073 644 1HD2 LEU 84 3HD2 LEU 84 -2.317 -12.061 -12.061 645 2HD2 LEU 84 2HD2 LEU 84 -1.895 -13.641 -13.641 646 3HD2 LEU 84 1HD2 LEU 84 -0.624 -12.505 -12.505 647 H ASN 85 HN ASN 85 -6.502 -12.176 -12.176 648 HA ASN 85 HA ASN 85 -7.367 -9.388 -9.388 649 1HB ASN 85 2HB ASN 85 -7.605 -11.250 -11.250 650 2HB ASN 85 1HB ASN 85 -8.145 -9.576 -9.576 651 1HD2 ASN 85 2HD2 ASN 85 -4.891 -8.203 -8.203 652 2HD2 ASN 85 1HD2 ASN 85 -6.443 -7.954 -7.954 653 H ASN 86 HN ASN 86 -8.021 -11.759 -11.759 654 HA ASN 86 HA ASN 86 -10.900 -11.866 -11.866 655 1HB ASN 86 2HB ASN 86 -9.026 -14.090 -14.090 656 2HB ASN 86 1HB ASN 86 -10.718 -14.194 -14.194 657 1HD2 ASN 86 2HD2 ASN 86 -9.714 -14.282 -14.282 658 2HD2 ASN 86 1HD2 ASN 86 -8.687 -13.500 -13.500 659 H ASP 87 HN ASP 87 -8.786 -10.576 -10.576 660 HA ASP 87 HA ASP 87 -10.276 -11.226 -11.226 661 1HB ASP 87 2HB ASP 87 -7.533 -10.368 -10.368 662 2HB ASP 87 1HB ASP 87 -8.268 -9.506 -9.506 663 H ARG 88 HN ARG 88 -11.862 -9.916 -9.916 664 HA ARG 88 HA ARG 88 -11.582 -7.041 -7.041 665 1HB ARG 88 2HB ARG 88 -13.881 -6.869 -6.869 666 2HB ARG 88 1HB ARG 88 -12.639 -7.509 -7.509 667 1HG ARG 88 2HG ARG 88 -13.699 -9.759 -9.759 668 2HG ARG 88 1HG ARG 88 -15.099 -8.723 -8.723 669 1HD ARG 88 2HD ARG 88 -14.712 -8.644 -8.644 670 2HD ARG 88 1HD ARG 88 -13.061 -9.237 -9.237 671 HE ARG 88 HE ARG 88 -14.871 -11.180 -11.180 672 1HH1 ARG 88 1HH2 ARG 88 -13.764 -9.712 -9.712 673 2HH1 ARG 88 2HH2 ARG 88 -14.095 -11.108 -11.108 674 1HH2 ARG 88 1HH1 ARG 88 -15.313 -13.026 -13.026 675 2HH2 ARG 88 2HH1 ARG 88 -14.977 -12.992 -12.992 676 H ILE 89 HN ILE 89 -12.402 -5.990 -5.990 677 HA ILE 89 HA ILE 89 -13.747 -7.512 -7.512 678 HB ILE 89 HB ILE 89 -13.047 -4.576 -4.576 679 1HG1 ILE 89 2HG1 ILE 89 -11.412 -6.921 -6.921 680 2HG1 ILE 89 1HG1 ILE 89 -11.047 -5.962 -5.962 681 1HG2 ILE 89 3HG2 ILE 89 -13.856 -6.559 -6.559 682 2HG2 ILE 89 2HG2 ILE 89 -12.968 -5.091 -5.091 683 3HG2 ILE 89 1HG2 ILE 89 -14.551 -4.978 -4.978 684 1HD1 ILE 89 1HD1 ILE 89 -11.275 -4.085 -4.085 685 2HD1 ILE 89 3HD1 ILE 89 -10.453 -5.445 -5.445 686 3HD1 ILE 89 2HD1 ILE 89 -9.779 -4.716 -4.716 687 H THR 90 HN THR 90 -15.694 -6.615 -6.615 688 HA THR 90 HA THR 90 -17.404 -5.039 -5.039 689 HB THR 90 HB THR 90 -18.229 -7.656 -7.656 690 HG1 THR 90 1HG THR 90 -17.938 -8.529 -8.529 691 1HG2 THR 90 2HG2 THR 90 -19.871 -5.545 -5.545 692 2HG2 THR 90 1HG2 THR 90 -19.955 -6.592 -6.592 693 3HG2 THR 90 3HG2 THR 90 -20.352 -7.231 -7.231 694 H ILE 91 HN ILE 91 -18.747 -3.653 -3.653 695 HA ILE 91 HA ILE 91 -18.853 -3.753 -3.753 696 HB ILE 91 HB ILE 91 -18.938 -1.242 -1.242 697 1HG1 ILE 91 2HG1 ILE 91 -16.619 -2.321 -2.321 698 2HG1 ILE 91 1HG1 ILE 91 -16.732 -2.409 -2.409 699 1HG2 ILE 91 3HG2 ILE 91 -18.847 -1.790 -1.790 700 2HG2 ILE 91 2HG2 ILE 91 -18.390 -0.228 -0.228 701 3HG2 ILE 91 1HG2 ILE 91 -20.026 -0.845 -0.845 702 1HD1 ILE 91 2HD1 ILE 91 -17.157 0.285 0.285 703 2HD1 ILE 91 1HD1 ILE 91 -15.700 -0.324 -0.324 704 3HD1 ILE 91 3HD1 ILE 91 -15.850 -0.393 -0.393 705 H GLU 92 HN GLU 92 -20.812 -3.196 -3.196 706 HA GLU 92 HA GLU 92 -23.091 -2.522 -2.522 707 1HB GLU 92 2HB GLU 92 -22.586 -5.202 -5.202 708 2HB GLU 92 1HB GLU 92 -24.127 -4.567 -4.567 709 1HG GLU 92 2HG GLU 92 -24.725 -4.069 -4.069 710 2HG GLU 92 1HG GLU 92 -23.219 -4.830 -4.830 711 H TRP 93 HN TRP 93 -23.902 -0.816 -0.816 712 HA TRP 93 HA TRP 93 -24.235 -0.988 -0.988 713 1HB TRP 93 2HB TRP 93 -23.740 1.329 1.329 714 2HB TRP 93 1HB TRP 93 -22.461 0.649 0.649 715 HD1 TRP 93 1HD TRP 93 -24.934 3.411 3.411 716 HE1 TRP 93 1HE TRP 93 -24.956 4.657 4.657 717 HE3 TRP 93 3HE TRP 93 -22.235 0.088 0.088 718 HZ2 TRP 93 2HZ TRP 93 -23.963 4.282 4.282 719 HZ3 TRP 93 3HZ TRP 93 -21.817 0.607 0.607 720 HH2 TRP 93 2HH TRP 93 -22.664 2.660 2.660 721 H THR 94 HN THR 94 -26.183 -0.424 -0.424 722 HA THR 94 HA THR 94 -28.186 0.752 0.752 723 HB THR 94 HB THR 94 -28.739 -1.507 -1.507 724 HG1 THR 94 1HG THR 94 -30.692 -1.691 -1.691 725 1HG2 THR 94 3HG2 THR 94 -27.230 -2.206 -2.206 726 2HG2 THR 94 2HG2 THR 94 -28.742 -2.151 -2.151 727 3HG2 THR 94 1HG2 THR 94 -28.588 -3.220 -3.220 728 H ASN 95 HN ASN 95 -29.383 2.267 2.267 729 HA ASN 95 HA ASN 95 -28.821 3.256 3.256 730 1HB ASN 95 2HB ASN 95 -31.045 4.454 4.454 731 2HB ASN 95 1HB ASN 95 -29.921 4.682 4.682 732 1HD2 ASN 95 2HD2 ASN 95 -32.997 4.114 4.114 733 2HD2 ASN 95 1HD2 ASN 95 -32.110 5.345 5.345 734 H THR 96 HN THR 96 -29.303 2.610 2.610 735 HA THR 96 HA THR 96 -30.803 0.262 0.262 736 HB THR 96 HB THR 96 -30.227 0.529 0.529 737 HG1 THR 96 1HG THR 96 -30.369 3.279 3.279 738 1HG2 THR 96 2HG2 THR 96 -28.220 0.603 0.603 739 2HG2 THR 96 1HG2 THR 96 -28.099 2.296 2.296 740 3HG2 THR 96 3HG2 THR 96 -27.974 1.022 1.022 741 HA PRO 97 HA PRO 97 -35.013 1.567 1.567 742 1HB PRO 97 2HB PRO 97 -35.069 0.071 0.071 743 2HB PRO 97 1HB PRO 97 -36.154 -0.044 -0.044 744 1HG PRO 97 2HG PRO 97 -34.314 -1.915 -1.915 745 2HG PRO 97 1HG PRO 97 -34.680 -1.366 -1.366 746 1HD PRO 97 2HD PRO 97 -32.329 -0.750 -0.750 747 2HD PRO 97 1HD PRO 97 -32.419 -0.940 -0.940 748 H ASP 98 HN ASP 98 -36.497 2.808 2.808 749 HA ASP 98 HA ASP 98 -35.443 5.064 5.064 750 1HB ASP 98 2HB ASP 98 -38.086 3.779 3.779 751 2HB ASP 98 1HB ASP 98 -37.827 4.851 4.851 752 H GLY 99 HN GLY 99 -34.251 5.372 5.372 753 1HA GLY 99 2HA GLY 99 -33.290 5.044 5.044 754 2HA GLY 99 1HA GLY 99 -34.932 4.702 4.702 755 H ALA 100 HN ALA 100 -32.776 2.912 2.912 756 HA ALA 100 HA ALA 100 -33.488 0.396 0.396 757 1HB ALA 100 2HB ALA 100 -31.232 1.301 1.301 758 2HB ALA 100 1HB ALA 100 -31.428 -0.382 -0.382 759 3HB ALA 100 3HB ALA 100 -32.692 0.417 0.417 760 H ALA 101 HN ALA 101 -32.265 -1.075 -1.075 761 HA ALA 101 HA ALA 101 -31.156 -0.122 -0.122 762 1HB ALA 101 3HB ALA 101 -31.934 -2.422 -2.422 763 2HB ALA 101 2HB ALA 101 -30.549 -2.756 -2.756 764 3HB ALA 101 1HB ALA 101 -30.298 -2.367 -2.367 765 H LYS 102 HN LYS 102 -28.947 -0.445 -0.445 766 HA LYS 102 HA LYS 102 -27.046 0.695 0.695 767 1HB LYS 102 2HB LYS 102 -26.602 0.212 0.212 768 2HB LYS 102 1HB LYS 102 -25.724 1.311 1.311 769 1HG LYS 102 2HG LYS 102 -27.055 2.845 2.845 770 2HG LYS 102 1HG LYS 102 -28.202 2.310 2.310 771 1HD LYS 102 2HD LYS 102 -29.584 1.454 1.454 772 2HD LYS 102 1HD LYS 102 -28.265 0.634 0.634 773 1HE LYS 102 2HE LYS 102 -28.133 3.485 3.485 774 2HE LYS 102 1HE LYS 102 -29.711 2.857 2.857 775 1HZ LYS 102 1HZ LYS 102 -27.214 1.563 1.563 776 2HZ LYS 102 3HZ LYS 102 -27.875 2.875 2.875 777 3HZ LYS 102 2HZ LYS 102 -28.763 1.446 1.446 778 H GLN 103 HN GLN 103 -27.042 -1.411 -1.411 779 HA GLN 103 HA GLN 103 -24.642 -2.766 -2.766 780 1HB GLN 103 2HB GLN 103 -26.903 -3.821 -3.821 781 2HB GLN 103 1HB GLN 103 -26.132 -5.026 -5.026 782 1HG GLN 103 2HG GLN 103 -24.288 -5.106 -5.106 783 2HG GLN 103 1HG GLN 103 -24.271 -3.363 -3.363 784 1HE2 GLN 103 2HE2 GLN 103 -25.583 -5.827 -5.827 785 2HE2 GLN 103 1HE2 GLN 103 -24.778 -6.339 -6.339 786 H PHE 104 HN PHE 104 -24.152 -4.075 -4.075 787 HA PHE 104 HA PHE 104 -25.657 -3.774 -3.774 788 1HB PHE 104 2HB PHE 104 -23.227 -4.201 -4.201 789 2HB PHE 104 1HB PHE 104 -23.525 -5.833 -5.833 790 HD1 PHE 104 1HD PHE 104 -23.770 -3.588 -3.588 791 HD2 PHE 104 2HD PHE 104 -24.334 -7.557 -7.557 792 HE1 PHE 104 1HE PHE 104 -23.963 -4.390 -4.390 793 HE2 PHE 104 2HE PHE 104 -24.527 -8.367 -8.367 794 HZ PHE 104 HZ PHE 104 -24.342 -6.782 -6.782 795 H ARG 105 HN ARG 105 -27.204 -4.970 -4.970 796 HA ARG 105 HA ARG 105 -28.002 -7.469 -7.469 797 1HB ARG 105 2HB ARG 105 -29.500 -5.189 -5.189 798 2HB ARG 105 1HB ARG 105 -30.068 -6.071 -6.071 799 1HG ARG 105 2HG ARG 105 -31.519 -6.829 -6.829 800 2HG ARG 105 1HG ARG 105 -30.256 -8.057 -8.057 801 1HD ARG 105 2HD ARG 105 -29.345 -6.169 -6.169 802 2HD ARG 105 1HD ARG 105 -31.091 -6.039 -6.039 803 HE ARG 105 HE ARG 105 -29.411 -8.186 -8.186 804 1HH1 ARG 105 1HH2 ARG 105 -32.625 -7.373 -7.373 805 2HH1 ARG 105 2HH2 ARG 105 -33.371 -8.710 -8.710 806 1HH2 ARG 105 1HH1 ARG 105 -30.383 -9.949 -9.949 807 2HH2 ARG 105 2HH1 ARG 105 -32.097 -10.173 -10.173 808 H ARG 106 HN ARG 106 -28.956 -9.104 -9.104 809 HA ARG 106 HA ARG 106 -27.773 -9.159 -9.159 810 1HB ARG 106 2HB ARG 106 -27.853 -11.040 -11.040 811 2HB ARG 106 1HB ARG 106 -29.248 -11.520 -11.520 812 1HG ARG 106 2HG ARG 106 -27.783 -11.560 -11.560 813 2HG ARG 106 1HG ARG 106 -26.406 -11.243 -11.243 814 1HD ARG 106 2HD ARG 106 -26.856 -13.298 -13.298 815 2HD ARG 106 1HD ARG 106 -28.267 -13.607 -13.607 816 HE ARG 106 HE ARG 106 -26.020 -13.331 -13.331 817 1HH1 ARG 106 1HH2 ARG 106 -27.323 -15.505 -15.505 818 2HH1 ARG 106 2HH2 ARG 106 -26.555 -16.907 -16.907 819 1HH2 ARG 106 1HH1 ARG 106 -25.005 -15.171 -15.171 820 2HH2 ARG 106 2HH1 ARG 106 -25.238 -16.717 -16.717 821 H GLU 107 HN GLU 107 -30.736 -8.338 -8.338 822 HA GLU 107 HA GLU 107 -32.371 -9.446 -9.446 823 1HB GLU 107 2HB GLU 107 -32.818 -8.319 -8.319 824 2HB GLU 107 1HB GLU 107 -33.836 -7.507 -7.507 825 1HG GLU 107 2HG GLU 107 -34.640 -9.720 -9.720 826 2HG GLU 107 1HG GLU 107 -33.707 -10.462 -10.462 827 H TRP 108 HN TRP 108 -30.543 -6.602 -6.602 828 HA TRP 108 HA TRP 108 -32.035 -4.713 -4.713 829 1HB TRP 108 2HB TRP 108 -29.067 -5.004 -5.004 830 2HB TRP 108 1HB TRP 108 -29.764 -3.631 -3.631 831 HD1 TRP 108 1HD TRP 108 -32.318 -4.056 -4.056 832 HE1 TRP 108 1HE TRP 108 -31.941 -2.727 -2.727 833 HE3 TRP 108 3HE TRP 108 -27.321 -3.098 -3.098 834 HZ2 TRP 108 2HZ TRP 108 -29.808 -1.442 -1.442 835 HZ3 TRP 108 3HZ TRP 108 -26.187 -1.812 -1.812 836 HH2 TRP 108 2HH TRP 108 -27.407 -1.001 -1.001 837 H PHE 109 HN PHE 109 -30.433 -7.517 -7.517 838 HA PHE 109 HA PHE 109 -30.716 -6.565 -6.565 839 1HB PHE 109 2HB PHE 109 -28.622 -8.551 -8.551 840 2HB PHE 109 1HB PHE 109 -28.740 -7.709 -7.709 841 HD1 PHE 109 1HD PHE 109 -28.400 -6.959 -6.959 842 HD2 PHE 109 2HD PHE 109 -27.380 -5.895 -5.895 843 HE1 PHE 109 1HE PHE 109 -26.913 -5.193 -5.193 844 HE2 PHE 109 2HE PHE 109 -25.891 -4.129 -4.129 845 HZ PHE 109 HZ PHE 109 -25.655 -3.777 -3.777 846 H GLN 110 HN GLN 110 -32.703 -7.911 -7.911 847 HA GLN 110 HA GLN 110 -33.103 -10.208 -10.208 848 1HB GLN 110 2HB GLN 110 -32.819 -10.418 -10.418 849 2HB GLN 110 1HB GLN 110 -33.816 -11.560 -11.560 850 1HG GLN 110 2HG GLN 110 -31.811 -12.058 -12.058 851 2HG GLN 110 1HG GLN 110 -30.864 -11.080 -11.080 852 1HE2 GLN 110 2HE2 GLN 110 -31.531 -13.436 -13.436 853 2HE2 GLN 110 1HE2 GLN 110 -31.781 -11.756 -11.756 854 H GLY 111 HN GLY 111 -34.401 -7.764 -7.764 855 1HA GLY 111 2HA GLY 111 -37.094 -8.519 -8.519 856 2HA GLY 111 1HA GLY 111 -36.757 -7.666 -7.666 857 H ASP 112 HN ASP 112 -37.200 -5.576 -5.576 858 HA ASP 112 HA ASP 112 -37.364 -4.221 -4.221 859 1HB ASP 112 2HB ASP 112 -38.611 -3.807 -3.807 860 2HB ASP 112 1HB ASP 112 -38.357 -2.388 -2.388 861 H GLY 113 HN GLY 113 -36.498 -2.080 -2.080 862 1HA GLY 113 2HA GLY 113 -35.124 -0.293 -0.293 863 2HA GLY 113 1HA GLY 113 -34.172 -1.564 -1.564 864 H MET 114 HN MET 114 -33.719 0.685 0.685 865 HA MET 114 HA MET 114 -32.852 -0.723 -0.723 866 1HB MET 114 2HB MET 114 -32.756 2.101 2.101 867 2HB MET 114 1HB MET 114 -31.662 1.622 1.622 868 1HG MET 114 2HG MET 114 -33.450 2.373 2.373 869 2HG MET 114 1HG MET 114 -33.828 0.655 0.655 870 1HE MET 114 3HE MET 114 -33.884 3.788 3.788 871 2HE MET 114 2HE MET 114 -35.464 4.347 4.347 872 3HE MET 114 1HE MET 114 -35.287 3.660 3.660 873 H VAL 115 HN VAL 115 -30.913 -1.582 -1.582 874 HA VAL 115 HA VAL 115 -28.718 -1.040 -1.040 875 HB VAL 115 HB VAL 115 -29.084 -3.656 -3.656 876 1HG1 VAL 115 2HG1 VAL 115 -26.851 -2.819 -2.819 877 2HG1 VAL 115 1HG1 VAL 115 -27.616 -3.240 -3.240 878 3HG1 VAL 115 3HG1 VAL 115 -27.383 -4.474 -4.474 879 1HG2 VAL 115 3HG2 VAL 115 -30.466 -2.640 -2.640 880 2HG2 VAL 115 2HG2 VAL 115 -30.879 -3.981 -3.981 881 3HG2 VAL 115 1HG2 VAL 115 -29.696 -4.212 -4.212 882 H ARG 116 HN ARG 116 -27.099 -0.008 -0.008 883 HA ARG 116 HA ARG 116 -26.701 -0.317 -0.317 884 1HB ARG 116 2HB ARG 116 -25.793 1.778 1.778 885 2HB ARG 116 1HB ARG 116 -25.161 1.687 1.687 886 1HG ARG 116 2HG ARG 116 -28.101 1.891 1.891 887 2HG ARG 116 1HG ARG 116 -27.063 3.312 3.312 888 1HD ARG 116 2HD ARG 116 -26.327 2.319 2.319 889 2HD ARG 116 1HD ARG 116 -27.732 1.264 1.264 890 HE ARG 116 HE ARG 116 -28.617 3.864 3.864 891 1HH1 ARG 116 1HH2 ARG 116 -27.164 1.985 1.985 892 2HH1 ARG 116 2HH2 ARG 116 -27.909 2.896 2.896 893 1HH2 ARG 116 1HH1 ARG 116 -29.603 5.069 5.069 894 2HH2 ARG 116 2HH1 ARG 116 -29.294 4.650 4.650 895 H ARG 117 HN ARG 117 -24.674 -0.847 -0.847 896 HA ARG 117 HA ARG 117 -22.573 -1.636 -1.636 897 1HB ARG 117 2HB ARG 117 -22.350 -3.851 -3.851 898 2HB ARG 117 1HB ARG 117 -24.002 -3.633 -3.633 899 1HG ARG 117 2HG ARG 117 -24.599 -3.060 -3.060 900 2HG ARG 117 1HG ARG 117 -22.993 -3.643 -3.643 901 1HD ARG 117 2HD ARG 117 -24.657 -5.397 -5.397 902 2HD ARG 117 1HD ARG 117 -23.510 -5.818 -5.818 903 HE ARG 117 HE ARG 117 -25.599 -4.614 -4.614 904 1HH1 ARG 117 1HH2 ARG 117 -25.235 -7.340 -7.340 905 2HH1 ARG 117 2HH2 ARG 117 -26.557 -8.223 -8.223 906 1HH2 ARG 117 1HH1 ARG 117 -27.341 -5.767 -5.767 907 2HH2 ARG 117 2HH1 ARG 117 -27.756 -7.328 -7.328 908 H LYS 118 HN LYS 118 -20.510 -1.914 -1.914 909 HA LYS 118 HA LYS 118 -20.173 -1.191 -1.191 910 1HB LYS 118 2HB LYS 118 -19.190 0.479 0.479 911 2HB LYS 118 1HB LYS 118 -18.377 0.499 0.499 912 1HG LYS 118 2HG LYS 118 -20.223 1.443 1.443 913 2HG LYS 118 1HG LYS 118 -21.316 1.038 1.038 914 1HD LYS 118 2HD LYS 118 -20.754 3.440 3.440 915 2HD LYS 118 1HD LYS 118 -20.237 2.665 2.665 916 1HE LYS 118 2HE LYS 118 -17.976 2.362 2.362 917 2HE LYS 118 1HE LYS 118 -18.580 3.592 3.592 918 1HZ LYS 118 2HZ LYS 118 -19.079 4.732 4.732 919 2HZ LYS 118 1HZ LYS 118 -17.686 3.852 3.852 920 3HZ LYS 118 3HZ LYS 118 -17.655 4.980 4.980 921 H ASN 119 HN ASN 119 -18.517 -2.273 -2.273 922 HA ASN 119 HA ASN 119 -16.778 -3.802 -3.802 923 1HB ASN 119 2HB ASN 119 -17.020 -4.336 -4.336 924 2HB ASN 119 1HB ASN 119 -16.588 -5.448 -5.448 925 1HD2 ASN 119 2HD2 ASN 119 -20.168 -5.345 -5.345 926 2HD2 ASN 119 1HD2 ASN 119 -18.701 -4.730 -4.730 927 H LEU 120 HN LEU 120 -14.620 -3.542 -3.542 928 HA LEU 120 HA LEU 120 -13.502 -1.554 -1.554 929 1HB LEU 120 2HB LEU 120 -12.777 -2.347 -2.347 930 2HB LEU 120 1HB LEU 120 -11.625 -1.515 -1.515 931 HG LEU 120 HG LEU 120 -13.586 0.211 0.211 932 1HD1 LEU 120 2HD1 LEU 120 -15.076 -1.379 -1.379 933 2HD1 LEU 120 1HD1 LEU 120 -14.218 -0.720 -0.720 934 3HD1 LEU 120 3HD1 LEU 120 -15.139 0.351 0.351 935 1HD2 LEU 120 3HD2 LEU 120 -11.263 0.218 0.218 936 2HD2 LEU 120 2HD2 LEU 120 -12.398 1.569 1.569 937 3HD2 LEU 120 1HD2 LEU 120 -12.385 0.408 0.408 938 HA PRO 121 HA PRO 121 -11.086 -4.851 -4.851 939 1HB PRO 121 2HB PRO 121 -9.422 -3.403 -3.403 940 2HB PRO 121 1HB PRO 121 -11.142 -3.554 -3.554 941 1HG PRO 121 2HG PRO 121 -9.690 -1.308 -1.308 942 2HG PRO 121 1HG PRO 121 -10.952 -1.238 -1.238 943 1HD PRO 121 2HD PRO 121 -11.432 -0.864 -0.864 944 2HD PRO 121 1HD PRO 121 -12.643 -1.481 -1.481 945 H ILE 122 HN ILE 122 -9.303 -5.965 -5.965 946 HA ILE 122 HA ILE 122 -7.391 -4.640 -4.640 947 HB ILE 122 HB ILE 122 -7.720 -7.604 -7.604 948 1HG1 ILE 122 2HG1 ILE 122 -9.781 -6.439 -6.439 949 2HG1 ILE 122 1HG1 ILE 122 -9.116 -7.710 -7.710 950 1HG2 ILE 122 1HG2 ILE 122 -6.251 -5.968 -5.968 951 2HG2 ILE 122 3HG2 ILE 122 -6.593 -7.686 -7.686 952 3HG2 ILE 122 2HG2 ILE 122 -5.587 -7.138 -7.138 953 1HD1 ILE 122 1HD1 ILE 122 -7.901 -5.267 -5.267 954 2HD1 ILE 122 3HD1 ILE 122 -9.643 -5.008 -5.008 955 3HD1 ILE 122 2HD1 ILE 122 -9.003 -6.286 -6.286 956 H GLU 123 HN GLU 123 -5.172 -4.797 -4.797 957 HA GLU 123 HA GLU 123 -4.262 -5.915 -5.915 958 1HB GLU 123 2HB GLU 123 -3.671 -3.172 -3.172 959 2HB GLU 123 1HB GLU 123 -2.715 -3.918 -3.918 960 1HG GLU 123 2HG GLU 123 -5.406 -4.128 -4.128 961 2HG GLU 123 1HG GLU 123 -5.174 -2.485 -2.485 962 H TYR 124 HN TYR 124 -1.896 -6.183 -6.183 963 HA TYR 124 HA TYR 124 -0.760 -6.693 -6.693 964 1HB TYR 124 2HB TYR 124 -0.457 -8.451 -8.451 965 2HB TYR 124 1HB TYR 124 0.292 -8.730 -8.730 966 HD1 TYR 124 1HD TYR 124 -2.907 -8.687 -8.687 967 HD2 TYR 124 2HD TYR 124 -0.943 -9.699 -9.699 968 HE1 TYR 124 1HE TYR 124 -4.889 -9.957 -9.957 969 HE2 TYR 124 2HE TYR 124 -2.919 -10.973 -10.973 970 HH TYR 124 HH TYR 124 -4.853 -12.047 -12.047 971 H ASN 125 HN ASN 125 1.226 -5.927 -5.927 972 HA ASN 125 HA ASN 125 2.767 -4.958 -4.958 973 1HB ASN 125 2HB ASN 125 1.708 -3.404 -3.404 974 2HB ASN 125 1HB ASN 125 3.367 -3.655 -3.655 975 1HD2 ASN 125 2HD2 ASN 125 4.122 -0.842 -0.842 976 2HD2 ASN 125 1HD2 ASN 125 3.927 -1.517 -1.517 977 H LEU 126 HN LEU 126 4.528 -6.144 -6.144 978 HA LEU 126 HA LEU 126 5.720 -7.557 -7.557 979 1HB LEU 126 2HB LEU 126 6.657 -7.796 -7.796 980 2HB LEU 126 1HB LEU 126 6.737 -8.980 -8.980 981 HG LEU 126 HG LEU 126 4.235 -8.132 -8.132 982 1HD1 LEU 126 2HD1 LEU 126 6.228 -10.219 -10.219 983 2HD1 LEU 126 1HD1 LEU 126 4.571 -10.820 -10.820 984 3HD1 LEU 126 3HD1 LEU 126 5.000 -9.566 -9.566 985 1HD2 LEU 126 1HD2 LEU 126 4.664 -9.520 -9.520 986 2HD2 LEU 126 3HD2 LEU 126 3.184 -8.855 -8.855 987 3HD2 LEU 126 2HD2 LEU 126 3.722 -10.470 -10.470 988 1H ALA 1 2HN ALA 1 42.431 -8.581 -8.581 989 2H ALA 1 1HN ALA 1 43.883 -9.283 -9.283 990 3H ALA 1 3HN ALA 1 42.368 -9.906 -9.906 991 HA ALA 1 HA ALA 1 43.183 -11.378 -11.378 992 1HB ALA 1 1HB ALA 1 44.554 -9.189 -9.189 993 2HB ALA 1 3HB ALA 1 43.425 -9.590 -9.590 994 3HB ALA 1 2HB ALA 1 44.545 -10.811 -10.811 995 H GLN 2 HN GLN 2 41.504 -8.521 -8.521 996 HA GLN 2 HA GLN 2 39.117 -10.158 -10.158 997 1HB GLN 2 2HB GLN 2 40.824 -9.102 -9.102 998 2HB GLN 2 1HB GLN 2 39.127 -8.678 -8.678 999 1HG GLN 2 2HG GLN 2 38.899 -11.296 -11.296 1000 2HG GLN 2 1HG GLN 2 40.466 -11.286 -11.286 1001 1HE2 GLN 2 2HE2 GLN 2 37.827 -11.815 -11.815 1002 2HE2 GLN 2 1HE2 GLN 2 38.359 -12.624 -12.624 1003 H SER 3 HN SER 3 38.219 -8.924 -8.924 1004 HA SER 3 HA SER 3 36.845 -6.593 -6.593 1005 1HB SER 3 2HB SER 3 39.183 -5.690 -5.690 1006 2HB SER 3 1HB SER 3 38.896 -6.068 -6.068 1007 HG SER 3 HG SER 3 38.240 -4.000 -4.000 1008 H VAL 4 HN VAL 4 36.018 -9.000 -9.000 1009 HA VAL 4 HA VAL 4 35.653 -9.227 -9.227 1010 HB VAL 4 HB VAL 4 33.591 -10.499 -10.499 1011 1HG1 VAL 4 2HG1 VAL 4 35.927 -11.095 -11.095 1012 2HG1 VAL 4 1HG1 VAL 4 34.659 -12.236 -12.236 1013 3HG1 VAL 4 3HG1 VAL 4 35.749 -11.605 -11.605 1014 1HG2 VAL 4 1HG2 VAL 4 33.703 -8.941 -8.941 1015 2HG2 VAL 4 3HG2 VAL 4 32.390 -9.932 -9.932 1016 3HG2 VAL 4 2HG2 VAL 4 33.639 -10.664 -10.664 1017 HA PRO 5 HA PRO 5 33.190 -5.876 -5.876 1018 1HB PRO 5 2HB PRO 5 31.584 -8.012 -8.012 1019 2HB PRO 5 1HB PRO 5 32.290 -6.543 -6.543 1020 1HG PRO 5 2HG PRO 5 33.421 -8.916 -8.916 1021 2HG PRO 5 1HG PRO 5 34.411 -7.472 -7.472 1022 1HD PRO 5 2HD PRO 5 33.818 -9.745 -9.745 1023 2HD PRO 5 1HD PRO 5 35.286 -8.758 -8.758 1024 HA PRO 6 HA PRO 6 29.533 -5.548 -5.548 1025 1HB PRO 6 2HB PRO 6 27.784 -4.262 -4.262 1026 2HB PRO 6 1HB PRO 6 29.137 -3.459 -3.459 1027 1HG PRO 6 2HG PRO 6 28.935 -4.478 -4.478 1028 2HG PRO 6 1HG PRO 6 29.641 -2.962 -2.962 1029 1HD PRO 6 2HD PRO 6 31.160 -5.090 -5.090 1030 2HD PRO 6 1HD PRO 6 31.606 -3.985 -3.985 1031 H GLY 7 HN GLY 7 27.629 -6.597 -6.597 1032 1HA GLY 7 2HA GLY 7 26.953 -8.818 -8.818 1033 2HA GLY 7 1HA GLY 7 26.344 -8.543 -8.543 1034 H ASP 8 HN ASP 8 25.561 -8.529 -8.529 1035 HA ASP 8 HA ASP 8 23.862 -6.424 -6.424 1036 1HB ASP 8 2HB ASP 8 23.282 -9.278 -9.278 1037 2HB ASP 8 1HB ASP 8 22.697 -7.816 -7.816 1038 H ILE 9 HN ILE 9 22.134 -5.669 -5.669 1039 HA ILE 9 HA ILE 9 20.755 -7.363 -7.363 1040 HB ILE 9 HB ILE 9 19.678 -5.302 -5.302 1041 1HG1 ILE 9 2HG1 ILE 9 21.419 -3.618 -3.618 1042 2HG1 ILE 9 1HG1 ILE 9 19.996 -4.332 -4.332 1043 1HG2 ILE 9 2HG2 ILE 9 22.671 -5.282 -5.282 1044 2HG2 ILE 9 1HG2 ILE 9 21.798 -4.096 -4.096 1045 3HG2 ILE 9 3HG2 ILE 9 21.696 -5.810 -5.810 1046 1HD1 ILE 9 1HD1 ILE 9 19.731 -2.860 -2.860 1047 2HD1 ILE 9 3HD1 ILE 9 19.859 -1.974 -1.974 1048 3HD1 ILE 9 2HD1 ILE 9 18.540 -3.119 -3.119 1049 H ASN 10 HN ASN 10 18.531 -7.724 -7.724 1050 HA ASN 10 HA ASN 10 17.303 -7.572 -7.572 1051 1HB ASN 10 2HB ASN 10 16.798 -9.176 -9.176 1052 2HB ASN 10 1HB ASN 10 15.484 -8.949 -8.949 1053 1HD2 ASN 10 2HD2 ASN 10 17.711 -11.977 -11.977 1054 2HD2 ASN 10 1HD2 ASN 10 17.149 -11.305 -11.305 1055 H THR 11 HN THR 11 15.331 -6.582 -6.582 1056 HA THR 11 HA THR 11 14.177 -4.960 -4.960 1057 HB THR 11 HB THR 11 13.847 -3.184 -3.184 1058 HG1 THR 11 1HG THR 11 15.483 -3.207 -3.207 1059 1HG2 THR 11 3HG2 THR 11 15.287 -2.944 -2.944 1060 2HG2 THR 11 2HG2 THR 11 16.639 -3.470 -3.470 1061 3HG2 THR 11 1HG2 THR 11 15.762 -1.995 -1.995 1062 H GLN 12 HN GLN 12 11.986 -4.334 -4.334 1063 HA GLN 12 HA GLN 12 10.564 -5.682 -5.682 1064 1HB GLN 12 2HB GLN 12 9.481 -5.834 -5.834 1065 2HB GLN 12 1HB GLN 12 9.058 -6.807 -6.807 1066 1HG GLN 12 2HG GLN 12 11.772 -6.934 -6.934 1067 2HG GLN 12 1HG GLN 12 10.421 -7.921 -7.921 1068 1HE2 GLN 12 2HE2 GLN 12 12.116 -10.115 -10.115 1069 2HE2 GLN 12 1HE2 GLN 12 12.240 -9.490 -9.490 1070 HA PRO 13 HA PRO 13 8.715 -5.537 -5.537 1071 1HB PRO 13 2HB PRO 13 8.214 -3.910 -3.910 1072 2HB PRO 13 1HB PRO 13 6.974 -4.380 -4.380 1073 1HG PRO 13 2HG PRO 13 8.573 -1.854 -1.854 1074 2HG PRO 13 1HG PRO 13 6.840 -2.063 -2.063 1075 1HD PRO 13 2HD PRO 13 8.622 -1.619 -1.619 1076 2HD PRO 13 1HD PRO 13 7.182 -2.631 -2.631 1077 H SER 14 HN SER 14 9.828 -6.085 -6.085 1078 HA SER 14 HA SER 14 12.528 -5.975 -5.975 1079 1HB SER 14 2HB SER 14 10.562 -6.433 -6.433 1080 2HB SER 14 1HB SER 14 12.220 -6.109 -6.109 1081 HG SER 14 HG SER 14 11.287 -8.389 -8.389 1082 H GLN 15 HN GLN 15 10.527 -3.763 -3.763 1083 HA GLN 15 HA GLN 15 12.081 -1.495 -1.495 1084 1HB GLN 15 2HB GLN 15 13.465 -3.165 -3.165 1085 2HB GLN 15 1HB GLN 15 12.629 -2.141 -2.141 1086 1HG GLN 15 2HG GLN 15 13.551 -0.157 -0.157 1087 2HG GLN 15 1HG GLN 15 14.474 -1.243 -1.243 1088 1HE2 GLN 15 2HE2 GLN 15 17.117 -1.217 -1.217 1089 2HE2 GLN 15 1HE2 GLN 15 16.518 -1.161 -1.161 1090 H LYS 16 HN LYS 16 9.421 -1.809 -1.809 1091 HA LYS 16 HA LYS 16 8.548 0.200 0.200 1092 1HB LYS 16 2HB LYS 16 6.756 -1.360 -1.360 1093 2HB LYS 16 1HB LYS 16 8.378 -1.328 -1.328 1094 1HG LYS 16 2HG LYS 16 8.942 -3.392 -3.392 1095 2HG LYS 16 1HG LYS 16 7.514 -3.363 -3.363 1096 1HD LYS 16 2HD LYS 16 7.221 -4.921 -4.921 1097 2HD LYS 16 1HD LYS 16 6.077 -3.582 -3.582 1098 1HE LYS 16 2HE LYS 16 7.825 -2.484 -2.484 1099 2HE LYS 16 1HE LYS 16 8.537 -4.095 -4.095 1100 1HZ LYS 16 1HZ LYS 16 5.755 -4.257 -4.257 1101 2HZ LYS 16 3HZ LYS 16 6.405 -3.082 -3.082 1102 3HZ LYS 16 2HZ LYS 16 7.014 -4.660 -4.660 1103 H ILE 17 HN ILE 17 7.449 1.300 1.300 1104 HA ILE 17 HA ILE 17 5.388 -0.139 -0.139 1105 HB ILE 17 HB ILE 17 7.158 0.649 0.649 1106 1HG1 ILE 17 2HG1 ILE 17 4.664 2.350 2.350 1107 2HG1 ILE 17 1HG1 ILE 17 4.809 0.683 0.683 1108 1HG2 ILE 17 1HG2 ILE 17 6.852 3.097 3.097 1109 2HG2 ILE 17 3HG2 ILE 17 7.064 3.349 3.349 1110 3HG2 ILE 17 2HG2 ILE 17 8.270 2.441 2.441 1111 1HD1 ILE 17 1HD1 ILE 17 6.913 2.260 2.260 1112 2HD1 ILE 17 3HD1 ILE 17 5.349 3.014 3.014 1113 3HD1 ILE 17 2HD1 ILE 17 5.639 1.346 1.346 1114 H VAL 18 HN VAL 18 3.402 0.948 0.948 1115 HA VAL 18 HA VAL 18 2.977 3.357 3.357 1116 HB VAL 18 HB VAL 18 1.074 1.014 1.014 1117 1HG1 VAL 18 3HG1 VAL 18 0.426 3.590 3.590 1118 2HG1 VAL 18 2HG1 VAL 18 0.851 3.120 3.120 1119 3HG1 VAL 18 1HG1 VAL 18 -0.406 2.242 2.242 1120 1HG2 VAL 18 3HG2 VAL 18 3.395 1.004 1.004 1121 2HG2 VAL 18 2HG2 VAL 18 1.929 0.208 0.208 1122 3HG2 VAL 18 1HG2 VAL 18 2.356 1.809 1.809 1123 H PHE 19 HN PHE 19 2.795 4.735 4.735 1124 HA PHE 19 HA PHE 19 1.462 4.268 4.268 1125 1HB PHE 19 2HB PHE 19 2.119 6.754 6.754 1126 2HB PHE 19 1HB PHE 19 1.123 6.865 6.865 1127 HD1 PHE 19 1HD PHE 19 4.445 6.016 6.016 1128 HD2 PHE 19 2HD PHE 19 2.057 6.549 6.549 1129 HE1 PHE 19 1HE PHE 19 6.476 6.017 6.017 1130 HE2 PHE 19 2HE PHE 19 4.084 6.552 6.552 1131 HZ PHE 19 HZ PHE 19 6.298 6.285 6.285 1132 H ASN 20 HN ASN 20 -0.501 3.286 3.286 1133 HA ASN 20 HA ASN 20 -2.512 3.859 3.859 1134 1HB ASN 20 2HB ASN 20 -2.551 2.600 2.600 1135 2HB ASN 20 1HB ASN 20 -4.029 2.807 2.807 1136 1HD2 ASN 20 2HD2 ASN 20 -1.659 -0.296 -0.296 1137 2HD2 ASN 20 1HD2 ASN 20 -1.546 0.752 0.752 1138 H ALA 21 HN ALA 21 -4.478 4.960 4.960 1139 HA ALA 21 HA ALA 21 -4.339 7.551 7.551 1140 1HB ALA 21 2HB ALA 21 -6.130 6.029 6.029 1141 2HB ALA 21 1HB ALA 21 -7.037 6.979 6.979 1142 3HB ALA 21 3HB ALA 21 -5.898 7.775 7.775 1143 HA PRO 22 HA PRO 22 -6.370 8.842 8.842 1144 1HB PRO 22 2HB PRO 22 -7.576 10.476 10.476 1145 2HB PRO 22 1HB PRO 22 -8.412 9.042 9.042 1146 1HG PRO 22 2HG PRO 22 -7.178 9.533 9.533 1147 2HG PRO 22 1HG PRO 22 -8.611 8.580 8.580 1148 1HD PRO 22 2HD PRO 22 -5.987 7.608 7.608 1149 2HD PRO 22 1HD PRO 22 -7.371 6.691 6.691 1150 H TYR 23 HN TYR 23 -5.620 11.048 11.048 1151 HA TYR 23 HA TYR 23 -3.215 11.440 11.440 1152 1HB TYR 23 2HB TYR 23 -4.013 12.633 12.633 1153 2HB TYR 23 1HB TYR 23 -2.551 13.065 13.065 1154 HD1 TYR 23 2HD TYR 23 -1.922 10.249 10.249 1155 HD2 TYR 23 1HD TYR 23 -2.977 11.742 11.742 1156 HE1 TYR 23 2HE TYR 23 -0.740 8.374 8.374 1157 HE2 TYR 23 1HE TYR 23 -1.792 9.865 9.865 1158 HH TYR 23 HH TYR 23 0.375 7.926 7.926 1159 H ASP 24 HN ASP 24 -5.746 11.982 11.982 1160 HA ASP 24 HA ASP 24 -5.729 14.922 14.922 1161 1HB ASP 24 2HB ASP 24 -7.904 12.917 12.917 1162 2HB ASP 24 1HB ASP 24 -8.079 14.249 14.249 1163 H ASP 25 HN ASP 25 -4.767 12.184 12.184 1164 HA ASP 25 HA ASP 25 -4.582 13.707 13.707 1165 1HB ASP 25 2HB ASP 25 -6.489 11.663 11.663 1166 2HB ASP 25 1HB ASP 25 -5.210 10.970 10.970 1167 H LYS 26 HN LYS 26 -3.607 11.575 11.575 1168 HA LYS 26 HA LYS 26 -0.959 11.292 11.292 1169 1HB LYS 26 2HB LYS 26 -2.005 10.988 10.988 1170 2HB LYS 26 1HB LYS 26 -0.384 10.480 10.480 1171 1HG LYS 26 2HG LYS 26 0.129 12.766 12.766 1172 2HG LYS 26 1HG LYS 26 -1.495 13.269 13.269 1173 1HD LYS 26 2HD LYS 26 -0.136 11.847 11.847 1174 2HD LYS 26 1HD LYS 26 0.777 13.260 13.260 1175 1HE LYS 26 2HE LYS 26 -2.095 13.736 13.736 1176 2HE LYS 26 1HE LYS 26 -1.285 13.287 13.287 1177 1HZ LYS 26 3HZ LYS 26 -0.153 15.377 15.377 1178 2HZ LYS 26 2HZ LYS 26 -1.388 15.749 15.749 1179 3HZ LYS 26 1HZ LYS 26 0.082 15.135 15.135 1180 H HIS 27 HN HIS 27 0.057 9.364 9.364 1181 HA HIS 27 HA HIS 27 -1.093 6.859 6.859 1182 1HB HIS 27 2HB HIS 27 -1.062 6.137 6.137 1183 2HB HIS 27 1HB HIS 27 -2.495 6.861 6.861 1184 HD1 HIS 27 1HD HIS 27 0.398 9.061 9.061 1185 HD2 HIS 27 2HD HIS 27 -3.284 7.906 7.906 1186 HE1 HIS 27 1HE HIS 27 -0.101 10.642 10.642 1187 H THR 28 HN THR 28 0.904 6.496 6.496 1188 HA THR 28 HA THR 28 3.320 6.648 6.648 1189 HB THR 28 HB THR 28 2.917 5.557 5.557 1190 HG1 THR 28 1HG THR 28 2.650 7.559 7.559 1191 1HG2 THR 28 2HG2 THR 28 5.234 5.697 5.697 1192 2HG2 THR 28 1HG2 THR 28 5.431 6.748 6.748 1193 3HG2 THR 28 3HG2 THR 28 5.060 5.038 5.038 1194 H TYR 29 HN TYR 29 4.590 4.968 4.968 1195 HA TYR 29 HA TYR 29 3.405 2.275 2.275 1196 1HB TYR 29 2HB TYR 29 4.819 3.584 3.584 1197 2HB TYR 29 1HB TYR 29 4.427 1.869 1.869 1198 HD1 TYR 29 1HD TYR 29 2.684 5.143 5.143 1199 HD2 TYR 29 2HD TYR 29 2.522 1.212 1.212 1200 HE1 TYR 29 1HE TYR 29 0.454 5.621 5.621 1201 HE2 TYR 29 2HE TYR 29 0.291 1.678 1.678 1202 HH TYR 29 HH TYR 29 -1.600 4.207 4.207 1203 H HIS 30 HN HIS 30 4.702 0.717 0.717 1204 HA HIS 30 HA HIS 30 7.468 1.444 1.444 1205 1HB HIS 30 2HB HIS 30 7.303 -0.736 -0.736 1206 2HB HIS 30 1HB HIS 30 6.434 0.691 0.691 1207 HD1 HIS 30 1HD HIS 30 5.831 -2.680 -2.680 1208 HD2 HIS 30 2HD HIS 30 3.702 0.469 0.469 1209 HE1 HIS 30 1HE HIS 30 3.451 -3.492 -3.492 1210 H ILE 31 HN ILE 31 9.194 0.469 0.469 1211 HA ILE 31 HA ILE 31 8.733 -1.588 -1.588 1212 HB ILE 31 HB ILE 31 11.325 -0.128 -0.128 1213 1HG1 ILE 31 2HG1 ILE 31 9.479 1.519 1.519 1214 2HG1 ILE 31 1HG1 ILE 31 10.649 1.547 1.547 1215 1HG2 ILE 31 2HG2 ILE 31 11.112 -2.214 -2.214 1216 2HG2 ILE 31 1HG2 ILE 31 10.216 -1.189 -1.189 1217 3HG2 ILE 31 3HG2 ILE 31 11.887 -0.800 -0.800 1218 1HD1 ILE 31 1HD1 ILE 31 9.067 0.077 0.077 1219 2HD1 ILE 31 3HD1 ILE 31 7.883 0.381 0.381 1220 3HD1 ILE 31 2HD1 ILE 31 8.509 1.720 1.720 1221 H LYS 32 HN LYS 32 9.995 -3.494 -3.494 1222 HA LYS 32 HA LYS 32 10.977 -4.290 -4.290 1223 1HB LYS 32 2HB LYS 32 9.415 -5.588 -5.588 1224 2HB LYS 32 1HB LYS 32 10.924 -6.478 -6.478 1225 1HG LYS 32 2HG LYS 32 10.511 -6.482 -6.482 1226 2HG LYS 32 1HG LYS 32 8.883 -5.909 -5.909 1227 1HD LYS 32 2HD LYS 32 9.136 -8.017 -8.017 1228 2HD LYS 32 1HD LYS 32 10.068 -8.573 -8.573 1229 1HE LYS 32 2HE LYS 32 7.757 -7.426 -7.426 1230 2HE LYS 32 1HE LYS 32 7.211 -8.348 -8.348 1231 1HZ LYS 32 1HZ LYS 32 8.837 -10.115 -10.115 1232 2HZ LYS 32 3HZ LYS 32 8.396 -9.281 -9.281 1233 3HZ LYS 32 2HZ LYS 32 7.208 -9.997 -9.997 1234 H ILE 33 HN ILE 33 13.067 -4.562 -4.562 1235 HA ILE 33 HA ILE 33 14.898 -4.914 -4.914 1236 HB ILE 33 HB ILE 33 15.505 -3.338 -3.338 1237 1HG1 ILE 33 2HG1 ILE 33 15.169 -2.223 -2.223 1238 2HG1 ILE 33 1HG1 ILE 33 13.822 -2.328 -2.328 1239 1HG2 ILE 33 3HG2 ILE 33 17.092 -4.198 -4.198 1240 2HG2 ILE 33 2HG2 ILE 33 17.398 -2.587 -2.587 1241 3HG2 ILE 33 1HG2 ILE 33 17.575 -4.005 -4.005 1242 1HD1 ILE 33 2HD1 ILE 33 15.546 -1.070 -1.070 1243 2HD1 ILE 33 1HD1 ILE 33 16.178 -0.542 -0.542 1244 3HD1 ILE 33 3HD1 ILE 33 14.498 -0.214 -0.214 1245 H THR 34 HN THR 34 16.830 -6.108 -6.108 1246 HA THR 34 HA THR 34 17.088 -7.478 -7.478 1247 HB THR 34 HB THR 34 16.442 -8.990 -8.990 1248 HG1 THR 34 1HG THR 34 14.572 -8.412 -8.412 1249 1HG2 THR 34 1HG2 THR 34 17.213 -10.082 -10.082 1250 2HG2 THR 34 3HG2 THR 34 16.614 -11.025 -11.025 1251 3HG2 THR 34 2HG2 THR 34 18.164 -10.192 -10.192 1252 H ASN 35 HN ASN 35 19.069 -8.662 -8.662 1253 HA ASN 35 HA ASN 35 21.120 -7.683 -7.683 1254 1HB ASN 35 2HB ASN 35 21.331 -7.115 -7.115 1255 2HB ASN 35 1HB ASN 35 21.514 -8.833 -8.833 1256 1HD2 ASN 35 2HD2 ASN 35 24.939 -8.303 -8.303 1257 2HD2 ASN 35 1HD2 ASN 35 23.573 -8.702 -8.702 1258 H ALA 36 HN ALA 36 20.652 -9.314 -9.314 1259 HA ALA 36 HA ALA 36 20.648 -12.055 -12.055 1260 1HB ALA 36 3HB ALA 36 20.109 -10.750 -10.750 1261 2HB ALA 36 2HB ALA 36 21.842 -10.786 -10.786 1262 3HB ALA 36 1HB ALA 36 20.936 -12.295 -12.295 1263 H GLY 37 HN GLY 37 23.285 -9.827 -9.827 1264 1HA GLY 37 2HA GLY 37 25.363 -11.740 -11.740 1265 2HA GLY 37 1HA GLY 37 25.571 -10.120 -10.120 1266 H GLY 38 HN GLY 38 27.168 -11.114 -11.114 1267 1HA GLY 38 2HA GLY 38 25.877 -12.162 -12.162 1268 2HA GLY 38 1HA GLY 38 27.233 -13.042 -13.042 1269 H ARG 39 HN ARG 39 26.691 -9.553 -9.553 1270 HA ARG 39 HA ARG 39 28.630 -9.364 -9.364 1271 1HB ARG 39 2HB ARG 39 29.567 -9.219 -9.219 1272 2HB ARG 39 1HB ARG 39 29.555 -7.566 -7.566 1273 1HG ARG 39 2HG ARG 39 30.658 -9.357 -9.357 1274 2HG ARG 39 1HG ARG 39 31.506 -9.505 -9.505 1275 1HD ARG 39 2HD ARG 39 30.910 -6.764 -6.764 1276 2HD ARG 39 1HD ARG 39 32.127 -7.666 -7.666 1277 HE ARG 39 HE ARG 39 32.619 -7.827 -7.827 1278 1HH1 ARG 39 1HH2 ARG 39 32.864 -5.669 -5.669 1279 2HH1 ARG 39 2HH2 ARG 39 34.181 -4.764 -4.764 1280 1HH2 ARG 39 1HH1 ARG 39 34.353 -6.643 -6.643 1281 2HH2 ARG 39 2HH1 ARG 39 35.027 -5.317 -5.317 1282 H ARG 40 HN ARG 40 28.383 -7.518 -7.518 1283 HA ARG 40 HA ARG 40 26.047 -6.069 -6.069 1284 1HB ARG 40 2HB ARG 40 28.694 -5.086 -5.086 1285 2HB ARG 40 1HB ARG 40 27.105 -4.475 -4.475 1286 1HG ARG 40 2HG ARG 40 26.682 -6.980 -6.980 1287 2HG ARG 40 1HG ARG 40 28.443 -7.014 -7.014 1288 1HD ARG 40 2HD ARG 40 27.619 -6.471 -6.471 1289 2HD ARG 40 1HD ARG 40 28.295 -4.994 -4.994 1290 HE ARG 40 HE ARG 40 25.674 -4.839 -4.839 1291 1HH1 ARG 40 1HH2 ARG 40 27.368 -5.389 -5.389 1292 2HH1 ARG 40 2HH2 ARG 40 26.145 -4.649 -4.649 1293 1HH2 ARG 40 1HH1 ARG 40 24.058 -3.860 -3.860 1294 2HH2 ARG 40 2HH1 ARG 40 24.265 -3.780 -3.780 1295 H ILE 41 HN ILE 41 25.354 -4.211 -4.211 1296 HA ILE 41 HA ILE 41 27.237 -2.728 -2.728 1297 HB ILE 41 HB ILE 41 25.193 -2.565 -2.565 1298 1HG1 ILE 41 2HG1 ILE 41 24.758 -5.398 -5.398 1299 2HG1 ILE 41 1HG1 ILE 41 23.915 -4.108 -4.108 1300 1HG2 ILE 41 1HG2 ILE 41 27.243 -4.728 -4.728 1301 2HG2 ILE 41 3HG2 ILE 41 26.089 -4.724 -4.724 1302 3HG2 ILE 41 2HG2 ILE 41 27.176 -3.354 -3.354 1303 1HD1 ILE 41 2HD1 ILE 41 23.797 -4.188 -4.188 1304 2HD1 ILE 41 1HD1 ILE 41 22.815 -5.314 -5.314 1305 3HD1 ILE 41 3HD1 ILE 41 22.620 -3.576 -3.576 1306 H GLY 42 HN GLY 42 26.049 -0.739 -0.739 1307 1HA GLY 42 2HA GLY 42 24.209 0.393 0.393 1308 2HA GLY 42 1HA GLY 42 25.630 1.292 1.292 1309 H TRP 43 HN TRP 43 22.407 0.364 0.364 1310 HA TRP 43 HA TRP 43 22.557 1.454 1.454 1311 1HB TRP 43 2HB TRP 43 20.227 0.691 0.691 1312 2HB TRP 43 1HB TRP 43 21.295 -0.605 -0.605 1313 HD1 TRP 43 1HD TRP 43 21.169 -1.182 -1.182 1314 HE1 TRP 43 1HE TRP 43 19.117 -1.154 -1.154 1315 HE3 TRP 43 3HE TRP 43 18.061 1.747 1.747 1316 HZ2 TRP 43 2HZ TRP 43 16.524 -0.040 -0.040 1317 HZ3 TRP 43 3HZ TRP 43 15.810 2.243 2.243 1318 HH2 TRP 43 2HH TRP 43 15.059 1.366 1.366 1319 H ALA 44 HN ALA 44 21.109 3.072 3.072 1320 HA ALA 44 HA ALA 44 19.836 4.798 4.798 1321 1HB ALA 44 1HB ALA 44 22.083 5.686 5.686 1322 2HB ALA 44 3HB ALA 44 20.952 6.808 6.808 1323 3HB ALA 44 2HB ALA 44 21.989 5.794 5.794 1324 H ILE 45 HN ILE 45 18.410 6.382 6.382 1325 HA ILE 45 HA ILE 45 17.621 5.656 5.656 1326 HB ILE 45 HB ILE 45 15.627 6.528 6.528 1327 1HG1 ILE 45 2HG1 ILE 45 15.083 4.007 4.007 1328 2HG1 ILE 45 1HG1 ILE 45 16.712 3.769 3.769 1329 1HG2 ILE 45 2HG2 ILE 45 15.421 5.034 5.034 1330 2HG2 ILE 45 1HG2 ILE 45 14.071 5.335 5.335 1331 3HG2 ILE 45 3HG2 ILE 45 14.898 6.688 6.688 1332 1HD1 ILE 45 2HD1 ILE 45 16.841 5.568 5.568 1333 2HD1 ILE 45 1HD1 ILE 45 15.896 4.158 4.158 1334 3HD1 ILE 45 3HD1 ILE 45 17.531 3.953 3.953 1335 H LYS 46 HN LYS 46 16.745 7.279 7.279 1336 HA LYS 46 HA LYS 46 16.471 9.976 9.976 1337 1HB LYS 46 2HB LYS 46 18.755 9.251 9.251 1338 2HB LYS 46 1HB LYS 46 18.179 10.894 10.894 1339 1HG LYS 46 2HG LYS 46 18.693 10.645 10.645 1340 2HG LYS 46 1HG LYS 46 19.410 9.075 9.075 1341 1HD LYS 46 2HD LYS 46 21.199 10.628 10.628 1342 2HD LYS 46 1HD LYS 46 20.911 10.274 10.274 1343 1HE LYS 46 2HE LYS 46 20.150 12.365 12.365 1344 2HE LYS 46 1HE LYS 46 19.430 12.561 12.561 1345 1HZ LYS 46 1HZ LYS 46 22.360 12.568 12.568 1346 2HZ LYS 46 3HZ LYS 46 21.436 13.980 13.980 1347 3HZ LYS 46 2HZ LYS 46 21.485 13.130 13.130 1348 H THR 47 HN THR 47 14.995 11.014 11.014 1349 HA THR 47 HA THR 47 14.236 9.786 9.786 1350 HB THR 47 HB THR 47 12.006 10.576 10.576 1351 HG1 THR 47 1HG THR 47 13.006 11.901 11.901 1352 1HG2 THR 47 3HG2 THR 47 13.099 9.452 9.452 1353 2HG2 THR 47 2HG2 THR 47 11.384 9.613 9.613 1354 3HG2 THR 47 1HG2 THR 47 12.405 8.554 8.554 1355 H THR 48 HN THR 48 13.452 11.197 11.197 1356 HA THR 48 HA THR 48 15.202 13.209 13.209 1357 HB THR 48 HB THR 48 13.091 13.957 13.957 1358 HG1 THR 48 1HG THR 48 11.673 12.612 12.612 1359 1HG2 THR 48 1HG2 THR 48 14.814 11.545 11.545 1360 2HG2 THR 48 3HG2 THR 48 13.522 11.867 11.867 1361 3HG2 THR 48 2HG2 THR 48 14.810 13.048 13.048 1362 H ASN 49 HN ASN 49 12.323 13.378 13.378 1363 HA ASN 49 HA ASN 49 12.823 16.252 16.252 1364 1HB ASN 49 2HB ASN 49 10.300 14.830 14.830 1365 2HB ASN 49 1HB ASN 49 10.198 16.092 16.092 1366 1HD2 ASN 49 2HD2 ASN 49 10.742 16.996 16.996 1367 2HD2 ASN 49 1HD2 ASN 49 10.798 15.369 15.369 1368 H MET 50 HN MET 50 13.469 16.633 16.633 1369 HA MET 50 HA MET 50 12.882 14.706 14.706 1370 1HB MET 50 2HB MET 50 14.883 16.851 16.851 1371 2HB MET 50 1HB MET 50 14.386 16.564 16.564 1372 1HG MET 50 2HG MET 50 14.898 14.054 14.054 1373 2HG MET 50 1HG MET 50 16.258 15.130 15.130 1374 1HE MET 50 3HE MET 50 15.275 12.522 12.522 1375 2HE MET 50 2HE MET 50 16.634 12.393 12.393 1376 3HE MET 50 1HE MET 50 15.022 12.758 12.758 1377 H ARG 51 HN ARG 51 10.937 16.785 16.785 1378 HA ARG 51 HA ARG 51 10.244 18.126 18.126 1379 1HB ARG 51 2HB ARG 51 8.998 18.856 18.856 1380 2HB ARG 51 1HB ARG 51 9.260 19.855 19.855 1381 1HG ARG 51 2HG ARG 51 11.762 19.592 19.592 1382 2HG ARG 51 1HG ARG 51 11.206 19.067 19.067 1383 1HD ARG 51 2HD ARG 51 9.723 21.311 21.311 1384 2HD ARG 51 1HD ARG 51 11.202 21.739 21.739 1385 HE ARG 51 HE ARG 51 11.885 20.654 20.654 1386 1HH1 ARG 51 1HH2 ARG 51 10.370 23.480 23.480 1387 2HH1 ARG 51 2HH2 ARG 51 10.846 24.520 24.520 1388 1HH2 ARG 51 1HH1 ARG 51 12.521 22.016 22.016 1389 2HH2 ARG 51 2HH1 ARG 51 12.068 23.688 23.688 1390 H ARG 52 HN ARG 52 8.890 16.310 16.310 1391 HA ARG 52 HA ARG 52 6.330 16.026 16.026 1392 1HB ARG 52 2HB ARG 52 7.442 15.475 15.475 1393 2HB ARG 52 1HB ARG 52 6.262 14.292 14.292 1394 1HG ARG 52 2HG ARG 52 4.870 15.765 15.765 1395 2HG ARG 52 1HG ARG 52 4.888 16.465 16.465 1396 1HD ARG 52 2HD ARG 52 7.090 17.576 17.576 1397 2HD ARG 52 1HD ARG 52 5.793 17.585 17.585 1398 HE ARG 52 HE ARG 52 4.790 18.554 18.554 1399 1HH1 ARG 52 1HH2 ARG 52 7.009 19.460 19.460 1400 2HH1 ARG 52 2HH2 ARG 52 6.780 21.162 21.162 1401 1HH2 ARG 52 1HH1 ARG 52 4.479 20.790 20.790 1402 2HH2 ARG 52 2HH1 ARG 52 5.342 21.918 21.918 1403 H LEU 53 HN LEU 53 8.768 13.718 13.718 1404 HA LEU 53 HA LEU 53 7.671 11.615 11.615 1405 1HB LEU 53 2HB LEU 53 10.196 11.529 11.529 1406 2HB LEU 53 1HB LEU 53 9.247 10.170 10.170 1407 HG LEU 53 HG LEU 53 7.929 12.121 12.121 1408 1HD1 LEU 53 3HD1 LEU 53 10.128 11.706 11.706 1409 2HD1 LEU 53 2HD1 LEU 53 9.813 9.972 9.972 1410 3HD1 LEU 53 1HD1 LEU 53 8.804 11.013 11.013 1411 1HD2 LEU 53 3HD2 LEU 53 6.990 9.957 9.957 1412 2HD2 LEU 53 2HD2 LEU 53 6.517 10.385 10.385 1413 3HD2 LEU 53 1HD2 LEU 53 7.755 9.159 9.159 1414 H SER 54 HN SER 54 8.585 10.715 10.715 1415 HA SER 54 HA SER 54 11.140 11.771 11.771 1416 1HB SER 54 2HB SER 54 9.022 11.551 11.551 1417 2HB SER 54 1HB SER 54 10.352 12.703 12.703 1418 HG SER 54 HG SER 54 7.776 12.918 12.918 1419 H VAL 55 HN VAL 55 12.309 9.969 9.969 1420 HA VAL 55 HA VAL 55 11.190 7.414 7.414 1421 HB VAL 55 HB VAL 55 13.656 6.743 6.743 1422 1HG1 VAL 55 1HG1 VAL 55 12.050 7.569 7.569 1423 2HG1 VAL 55 3HG1 VAL 55 13.781 7.489 7.489 1424 3HG1 VAL 55 2HG1 VAL 55 12.933 6.070 6.070 1425 1HG2 VAL 55 3HG2 VAL 55 14.187 9.323 9.323 1426 2HG2 VAL 55 2HG2 VAL 55 15.325 8.223 8.223 1427 3HG2 VAL 55 1HG2 VAL 55 14.288 9.261 9.261 1428 H ASP 56 HN ASP 56 11.667 6.091 6.091 1429 HA ASP 56 HA ASP 56 13.049 7.069 7.069 1430 1HB ASP 56 2HB ASP 56 10.128 7.505 7.505 1431 2HB ASP 56 1HB ASP 56 10.717 6.862 6.862 1432 HA PRO 57 HA PRO 57 14.286 6.218 6.218 1433 1HB PRO 57 2HB PRO 57 16.290 4.414 4.414 1434 2HB PRO 57 1HB PRO 57 15.075 4.531 4.531 1435 1HG PRO 57 2HG PRO 57 15.232 2.611 2.611 1436 2HG PRO 57 1HG PRO 57 14.843 2.291 2.291 1437 1HD PRO 57 2HD PRO 57 12.947 2.525 2.525 1438 2HD PRO 57 1HD PRO 57 12.660 2.971 2.971 1439 HA PRO 58 HA PRO 58 15.929 6.956 6.956 1440 1HB PRO 58 2HB PRO 58 17.637 8.949 8.949 1441 2HB PRO 58 1HB PRO 58 15.884 9.178 9.178 1442 1HG PRO 58 2HG PRO 58 17.763 8.703 8.703 1443 2HG PRO 58 1HG PRO 58 16.410 9.844 9.844 1444 1HD PRO 58 2HD PRO 58 16.240 7.435 7.435 1445 2HD PRO 58 1HD PRO 58 14.852 8.240 8.240 1446 H CYS 59 HN CYS 59 17.637 5.567 5.567 1447 HA CYS 59 HA CYS 59 19.560 4.395 4.395 1448 1HB CYS 59 2HB CYS 59 21.558 5.380 5.380 1449 2HB CYS 59 1HB CYS 59 20.822 6.367 6.367 1450 HG CYS 59 HG CYS 59 20.303 8.072 8.072 1451 H GLY 60 HN GLY 60 20.670 2.690 2.690 1452 1HA GLY 60 2HA GLY 60 20.673 2.294 2.294 1453 2HA GLY 60 1HA GLY 60 19.418 1.341 1.341 1454 H VAL 61 HN VAL 61 21.173 -0.110 -0.110 1455 HA VAL 61 HA VAL 61 23.190 -0.984 -0.984 1456 HB VAL 61 HB VAL 61 23.056 -1.844 -1.844 1457 1HG1 VAL 61 3HG1 VAL 61 24.465 -2.962 -2.962 1458 2HG1 VAL 61 2HG1 VAL 61 25.559 -1.622 -1.622 1459 3HG1 VAL 61 1HG1 VAL 61 25.128 -2.757 -2.757 1460 1HG2 VAL 61 3HG2 VAL 61 23.983 0.706 0.706 1461 2HG2 VAL 61 2HG2 VAL 61 23.418 0.337 0.337 1462 3HG2 VAL 61 1HG2 VAL 61 25.069 -0.062 -0.062 1463 H LEU 62 HN LEU 62 22.804 -2.768 -2.768 1464 HA LEU 62 HA LEU 62 20.648 -4.547 -4.547 1465 1HB LEU 62 2HB LEU 62 21.523 -3.583 -3.583 1466 2HB LEU 62 1HB LEU 62 21.946 -5.284 -5.284 1467 HG LEU 62 HG LEU 62 19.752 -4.912 -4.912 1468 1HD1 LEU 62 1HD1 LEU 62 20.240 -6.604 -6.604 1469 2HD1 LEU 62 3HD1 LEU 62 18.528 -6.274 -6.274 1470 3HD1 LEU 62 2HD1 LEU 62 19.500 -6.990 -6.990 1471 1HD2 LEU 62 2HD2 LEU 62 19.419 -3.191 -3.191 1472 2HD2 LEU 62 1HD2 LEU 62 18.439 -3.320 -3.320 1473 3HD2 LEU 62 3HD2 LEU 62 18.110 -4.371 -4.371 1474 H ASP 63 HN ASP 63 21.008 -6.444 -6.444 1475 HA ASP 63 HA ASP 63 23.715 -7.368 -7.368 1476 1HB ASP 63 2HB ASP 63 21.051 -8.447 -8.447 1477 2HB ASP 63 1HB ASP 63 22.605 -9.156 -9.156 1478 HA PRO 64 HA PRO 64 24.202 -10.486 -10.486 1479 1HB PRO 64 2HB PRO 64 24.367 -12.514 -12.514 1480 2HB PRO 64 1HB PRO 64 25.483 -12.204 -12.204 1481 1HG PRO 64 2HG PRO 64 26.072 -11.403 -11.403 1482 2HG PRO 64 1HG PRO 64 26.462 -10.389 -10.389 1483 1HD PRO 64 2HD PRO 64 24.268 -10.098 -10.098 1484 2HD PRO 64 1HD PRO 64 25.214 -8.847 -8.847 1485 H LYS 65 HN LYS 65 22.200 -10.610 -10.610 1486 HA LYS 65 HA LYS 65 20.292 -11.638 -11.638 1487 1HB LYS 65 2HB LYS 65 20.832 -13.769 -13.769 1488 2HB LYS 65 1HB LYS 65 19.845 -13.909 -13.909 1489 1HG LYS 65 2HG LYS 65 21.768 -13.809 -13.809 1490 2HG LYS 65 1HG LYS 65 22.811 -13.410 -13.410 1491 1HD LYS 65 2HD LYS 65 23.110 -15.732 -15.732 1492 2HD LYS 65 1HD LYS 65 22.227 -15.618 -15.618 1493 1HE LYS 65 2HE LYS 65 20.445 -16.666 -16.666 1494 2HE LYS 65 1HE LYS 65 20.460 -15.679 -15.679 1495 1HZ LYS 65 1HZ LYS 65 22.531 -17.717 -17.717 1496 2HZ LYS 65 3HZ LYS 65 20.952 -18.267 -18.267 1497 3HZ LYS 65 2HZ LYS 65 21.671 -17.200 -17.200 1498 H GLU 66 HN GLU 66 20.042 -9.588 -9.588 1499 HA GLU 66 HA GLU 66 17.940 -10.466 -10.466 1500 1HB GLU 66 2HB GLU 66 19.318 -9.328 -9.328 1501 2HB GLU 66 1HB GLU 66 20.059 -8.413 -8.413 1502 1HG GLU 66 2HG GLU 66 18.996 -6.857 -6.857 1503 2HG GLU 66 1HG GLU 66 17.990 -6.995 -6.995 1504 H LYS 67 HN LYS 67 16.007 -9.196 -9.196 1505 HA LYS 67 HA LYS 67 15.366 -7.850 -7.850 1506 1HB LYS 67 2HB LYS 67 13.073 -8.522 -8.522 1507 2HB LYS 67 1HB LYS 67 14.105 -9.937 -9.937 1508 1HG LYS 67 2HG LYS 67 13.936 -9.796 -9.796 1509 2HG LYS 67 1HG LYS 67 12.927 -8.355 -8.355 1510 1HD LYS 67 2HD LYS 67 11.209 -9.627 -9.627 1511 2HD LYS 67 1HD LYS 67 12.235 -11.064 -11.064 1512 1HE LYS 67 2HE LYS 67 12.240 -10.565 -10.565 1513 2HE LYS 67 1HE LYS 67 10.688 -9.835 -9.835 1514 1HZ LYS 67 1HZ LYS 67 10.176 -12.004 -12.004 1515 2HZ LYS 67 3HZ LYS 67 11.533 -12.648 -12.648 1516 3HZ LYS 67 2HZ LYS 67 10.236 -12.057 -12.057 1517 H VAL 68 HN VAL 68 14.533 -5.829 -5.829 1518 HA VAL 68 HA VAL 68 13.819 -4.603 -4.603 1519 HB VAL 68 HB VAL 68 16.128 -3.944 -3.944 1520 1HG1 VAL 68 1HG1 VAL 68 15.051 -2.915 -2.915 1521 2HG1 VAL 68 3HG1 VAL 68 16.651 -2.544 -2.544 1522 3HG1 VAL 68 2HG1 VAL 68 16.229 -4.207 -4.207 1523 1HG2 VAL 68 2HG2 VAL 68 14.247 -2.338 -2.338 1524 2HG2 VAL 68 1HG2 VAL 68 15.856 -1.711 -1.711 1525 3HG2 VAL 68 3HG2 VAL 68 14.545 -1.506 -1.506 1526 H LEU 69 HN LEU 69 12.273 -2.979 -2.979 1527 HA LEU 69 HA LEU 69 10.908 -2.768 -2.768 1528 1HB LEU 69 2HB LEU 69 9.783 -3.731 -3.731 1529 2HB LEU 69 1HB LEU 69 9.636 -2.047 -2.047 1530 HG LEU 69 HG LEU 69 8.464 -1.695 -1.695 1531 1HD1 LEU 69 3HD1 LEU 69 8.528 -4.693 -4.693 1532 2HD1 LEU 69 2HD1 LEU 69 7.289 -3.820 -3.820 1533 3HD1 LEU 69 1HD1 LEU 69 8.987 -3.645 -3.645 1534 1HD2 LEU 69 3HD2 LEU 69 7.410 -1.829 -1.829 1535 2HD2 LEU 69 2HD2 LEU 69 6.357 -2.192 -2.192 1536 3HD2 LEU 69 1HD2 LEU 69 7.012 -3.503 -3.503 1537 H MET 70 HN MET 70 11.171 -0.926 -0.926 1538 HA MET 70 HA MET 70 11.828 1.500 1.500 1539 1HB MET 70 2HB MET 70 13.437 0.978 0.978 1540 2HB MET 70 1HB MET 70 12.170 0.788 0.788 1541 1HG MET 70 2HG MET 70 12.038 3.399 3.399 1542 2HG MET 70 1HG MET 70 13.656 3.079 3.079 1543 1HE MET 70 3HE MET 70 14.077 2.130 2.130 1544 2HE MET 70 2HE MET 70 12.741 0.979 0.979 1545 3HE MET 70 1HE MET 70 12.888 2.165 2.165 1546 H ALA 71 HN ALA 71 10.687 3.438 3.438 1547 HA ALA 71 HA ALA 71 8.035 3.069 3.069 1548 1HB ALA 71 1HB ALA 71 8.012 3.391 3.391 1549 2HB ALA 71 3HB ALA 71 8.773 4.965 4.965 1550 3HB ALA 71 2HB ALA 71 7.158 4.665 4.665 1551 H VAL 72 HN VAL 72 7.249 4.577 4.577 1552 HA VAL 72 HA VAL 72 9.022 6.834 6.834 1553 HB VAL 72 HB VAL 72 7.392 5.229 5.229 1554 1HG1 VAL 72 3HG1 VAL 72 8.771 7.786 7.786 1555 2HG1 VAL 72 2HG1 VAL 72 9.308 6.657 6.657 1556 3HG1 VAL 72 1HG1 VAL 72 7.601 7.075 7.075 1557 1HG2 VAL 72 1HG2 VAL 72 9.376 4.032 4.032 1558 2HG2 VAL 72 3HG2 VAL 72 9.407 4.229 4.229 1559 3HG2 VAL 72 2HG2 VAL 72 10.390 5.277 5.277 1560 H SER 73 HN SER 73 7.724 8.182 8.182 1561 HA SER 73 HA SER 73 4.955 8.449 8.449 1562 1HB SER 73 2HB SER 73 7.198 10.051 10.051 1563 2HB SER 73 1HB SER 73 5.779 10.998 10.998 1564 HG SER 73 HG SER 73 5.257 10.410 10.410 1565 H CYS 74 HN CYS 74 3.592 9.314 9.314 1566 HA CYS 74 HA CYS 74 4.699 11.008 11.008 1567 1HB CYS 74 2HB CYS 74 3.770 8.496 8.496 1568 2HB CYS 74 1HB CYS 74 2.285 9.419 9.419 1569 HG CYS 74 HG CYS 74 3.499 9.191 9.191 1570 H ASP 75 HN ASP 75 3.844 12.973 12.973 1571 HA ASP 75 HA ASP 75 1.386 13.494 13.494 1572 1HB ASP 75 2HB ASP 75 3.429 15.343 15.343 1573 2HB ASP 75 1HB ASP 75 1.979 15.898 15.898 1574 H THR 76 HN THR 76 -0.494 14.200 14.200 1575 HA THR 76 HA THR 76 -1.224 13.481 13.481 1576 HB THR 76 HB THR 76 -3.021 13.888 13.888 1577 HG1 THR 76 1HG THR 76 -4.078 15.799 15.799 1578 1HG2 THR 76 3HG2 THR 76 -1.383 15.950 15.950 1579 2HG2 THR 76 2HG2 THR 76 -2.994 16.578 16.578 1580 3HG2 THR 76 1HG2 THR 76 -2.805 15.158 15.158 1581 H PHE 77 HN PHE 77 -1.934 14.885 14.885 1582 HA PHE 77 HA PHE 77 -0.872 17.497 17.497 1583 1HB PHE 77 2HB PHE 77 0.903 17.103 17.103 1584 2HB PHE 77 1HB PHE 77 1.213 16.084 16.084 1585 HD1 PHE 77 2HD PHE 77 0.492 13.635 13.635 1586 HD2 PHE 77 1HD PHE 77 0.820 16.188 16.188 1587 HE1 PHE 77 2HE PHE 77 0.641 11.664 11.664 1588 HE2 PHE 77 1HE PHE 77 0.969 14.222 14.222 1589 HZ PHE 77 HZ PHE 77 0.880 11.956 11.956 1590 H ASN 78 HN ASN 78 -0.535 17.485 17.485 1591 HA ASN 78 HA ASN 78 -3.247 16.744 16.744 1592 1HB ASN 78 2HB ASN 78 -1.527 19.098 19.098 1593 2HB ASN 78 1HB ASN 78 -3.012 18.649 18.649 1594 1HD2 ASN 78 2HD2 ASN 78 -4.326 21.105 21.105 1595 2HD2 ASN 78 1HD2 ASN 78 -3.627 20.844 20.844 1596 H ALA 79 HN ALA 79 -3.312 15.198 15.198 1597 HA ALA 79 HA ALA 79 -0.929 14.722 14.722 1598 1HB ALA 79 3HB ALA 79 -1.760 12.890 12.890 1599 2HB ALA 79 2HB ALA 79 -3.197 12.806 12.806 1600 3HB ALA 79 1HB ALA 79 -1.610 12.457 12.457 1601 H ALA 80 HN ALA 80 -3.296 16.629 16.629 1602 HA ALA 80 HA ALA 80 -4.363 15.559 15.559 1603 1HB ALA 80 1HB ALA 80 -5.536 17.019 17.019 1604 2HB ALA 80 3HB ALA 80 -5.307 18.200 18.200 1605 3HB ALA 80 2HB ALA 80 -6.216 16.719 16.719 1606 H THR 81 HN THR 81 -2.294 18.068 18.068 1607 HA THR 81 HA THR 81 -1.530 18.756 18.756 1608 HB THR 81 HB THR 81 -1.430 21.138 21.138 1609 HG1 THR 81 1HG THR 81 -1.200 20.801 20.801 1610 1HG2 THR 81 2HG2 THR 81 -3.529 20.135 20.135 1611 2HG2 THR 81 1HG2 THR 81 -4.165 20.118 20.118 1612 3HG2 THR 81 3HG2 THR 81 -3.728 21.649 21.649 1613 H GLU 82 HN GLU 82 -0.140 16.995 16.995 1614 HA GLU 82 HA GLU 82 2.355 18.457 18.457 1615 1HB GLU 82 2HB GLU 82 0.956 16.826 16.826 1616 2HB GLU 82 1HB GLU 82 2.706 17.006 17.006 1617 1HG GLU 82 2HG GLU 82 0.663 19.207 19.207 1618 2HG GLU 82 1HG GLU 82 1.717 18.621 18.621 1619 H ASP 83 HN ASP 83 4.158 17.306 17.306 1620 HA ASP 83 HA ASP 83 3.955 15.136 15.136 1621 1HB ASP 83 2HB ASP 83 6.103 16.617 16.617 1622 2HB ASP 83 1HB ASP 83 6.508 14.918 14.918 1623 H LEU 84 HN LEU 84 4.333 12.928 12.928 1624 HA LEU 84 HA LEU 84 4.401 11.865 11.865 1625 1HB LEU 84 2HB LEU 84 2.757 10.605 10.605 1626 2HB LEU 84 1HB LEU 84 2.708 10.283 10.283 1627 HG LEU 84 HG LEU 84 1.796 12.856 12.856 1628 1HD1 LEU 84 1HD1 LEU 84 0.410 10.864 10.864 1629 2HD1 LEU 84 3HD1 LEU 84 0.116 10.640 10.640 1630 3HD1 LEU 84 2HD1 LEU 84 -0.445 12.104 12.104 1631 1HD2 LEU 84 3HD2 LEU 84 2.343 12.088 12.088 1632 2HD2 LEU 84 2HD2 LEU 84 1.924 13.668 13.668 1633 3HD2 LEU 84 1HD2 LEU 84 0.650 12.536 12.536 1634 H ASN 85 HN ASN 85 6.529 12.193 12.193 1635 HA ASN 85 HA ASN 85 7.392 9.404 9.404 1636 1HB ASN 85 2HB ASN 85 7.636 11.265 11.265 1637 2HB ASN 85 1HB ASN 85 8.172 9.589 9.589 1638 1HD2 ASN 85 2HD2 ASN 85 4.914 8.226 8.226 1639 2HD2 ASN 85 1HD2 ASN 85 6.463 7.973 7.973 1640 H ASN 86 HN ASN 86 8.048 11.768 11.768 1641 HA ASN 86 HA ASN 86 10.926 11.875 11.875 1642 1HB ASN 86 2HB ASN 86 9.054 14.101 14.101 1643 2HB ASN 86 1HB ASN 86 10.746 14.203 14.203 1644 1HD2 ASN 86 2HD2 ASN 86 9.750 14.291 14.291 1645 2HD2 ASN 86 1HD2 ASN 86 8.716 13.517 13.517 1646 H ASP 87 HN ASP 87 8.808 10.589 10.589 1647 HA ASP 87 HA ASP 87 10.300 11.234 11.234 1648 1HB ASP 87 2HB ASP 87 7.555 10.382 10.382 1649 2HB ASP 87 1HB ASP 87 8.288 9.521 9.521 1650 H ARG 88 HN ARG 88 11.878 9.921 9.921 1651 HA ARG 88 HA ARG 88 11.593 7.046 7.046 1652 1HB ARG 88 2HB ARG 88 13.891 6.869 6.869 1653 2HB ARG 88 1HB ARG 88 12.648 7.512 7.512 1654 1HG ARG 88 2HG ARG 88 13.710 9.761 9.761 1655 2HG ARG 88 1HG ARG 88 15.110 8.723 8.723 1656 1HD ARG 88 2HD ARG 88 14.730 8.638 8.638 1657 2HD ARG 88 1HD ARG 88 13.080 9.234 9.234 1658 HE ARG 88 HE ARG 88 14.894 11.174 11.174 1659 1HH1 ARG 88 1HH2 ARG 88 13.781 9.709 9.709 1660 2HH1 ARG 88 2HH2 ARG 88 14.118 11.102 11.102 1661 1HH2 ARG 88 1HH1 ARG 88 15.344 13.016 13.016 1662 2HH2 ARG 88 2HH1 ARG 88 15.007 12.983 12.983 1663 H ILE 89 HN ILE 89 12.408 5.997 5.997 1664 HA ILE 89 HA ILE 89 13.757 7.514 7.514 1665 HB ILE 89 HB ILE 89 13.051 4.579 4.579 1666 1HG1 ILE 89 2HG1 ILE 89 11.421 6.927 6.927 1667 2HG1 ILE 89 1HG1 ILE 89 11.056 5.970 5.970 1668 1HG2 ILE 89 3HG2 ILE 89 13.863 6.558 6.558 1669 2HG2 ILE 89 2HG2 ILE 89 12.974 5.091 5.091 1670 3HG2 ILE 89 1HG2 ILE 89 14.556 4.978 4.978 1671 1HD1 ILE 89 1HD1 ILE 89 11.278 4.093 4.093 1672 2HD1 ILE 89 3HD1 ILE 89 10.457 5.454 5.454 1673 3HD1 ILE 89 2HD1 ILE 89 9.784 4.726 4.726 1674 H THR 90 HN THR 90 15.702 6.615 6.615 1675 HA THR 90 HA THR 90 17.408 5.033 5.033 1676 HB THR 90 HB THR 90 18.243 7.645 7.645 1677 HG1 THR 90 1HG THR 90 17.951 8.525 8.525 1678 1HG2 THR 90 2HG2 THR 90 19.877 5.530 5.530 1679 2HG2 THR 90 1HG2 THR 90 19.960 6.576 6.576 1680 3HG2 THR 90 3HG2 THR 90 20.364 7.216 7.216 1681 H ILE 91 HN ILE 91 18.752 3.644 3.644 1682 HA ILE 91 HA ILE 91 18.853 3.745 3.745 1683 HB ILE 91 HB ILE 91 18.931 1.232 1.232 1684 1HG1 ILE 91 2HG1 ILE 91 16.617 2.313 2.313 1685 2HG1 ILE 91 1HG1 ILE 91 16.728 2.408 2.408 1686 1HG2 ILE 91 3HG2 ILE 91 18.840 1.779 1.779 1687 2HG2 ILE 91 2HG2 ILE 91 18.382 0.219 0.219 1688 3HG2 ILE 91 1HG2 ILE 91 20.019 0.833 0.833 1689 1HD1 ILE 91 2HD1 ILE 91 17.150 -0.290 -0.290 1690 2HD1 ILE 91 1HD1 ILE 91 15.694 0.319 0.319 1691 3HD1 ILE 91 3HD1 ILE 91 15.844 0.394 0.394 1692 H GLU 92 HN GLU 92 20.809 3.182 3.182 1693 HA GLU 92 HA GLU 92 23.088 2.504 2.504 1694 1HB GLU 92 2HB GLU 92 22.585 5.184 5.184 1695 2HB GLU 92 1HB GLU 92 24.125 4.548 4.548 1696 1HG GLU 92 2HG GLU 92 24.724 4.046 4.046 1697 2HG GLU 92 1HG GLU 92 23.221 4.810 4.810 1698 H TRP 93 HN TRP 93 23.895 0.796 0.796 1699 HA TRP 93 HA TRP 93 24.228 0.967 0.967 1700 1HB TRP 93 2HB TRP 93 23.729 -1.348 -1.348 1701 2HB TRP 93 1HB TRP 93 22.451 -0.667 -0.667 1702 HD1 TRP 93 1HD TRP 93 24.922 -3.432 -3.432 1703 HE1 TRP 93 1HE TRP 93 24.939 -4.678 -4.678 1704 HE3 TRP 93 3HE TRP 93 22.226 -0.104 -0.104 1705 HZ2 TRP 93 2HZ TRP 93 23.947 -4.301 -4.301 1706 HZ3 TRP 93 3HZ TRP 93 21.807 -0.624 -0.624 1707 HH2 TRP 93 2HH TRP 93 22.650 -2.679 -2.679 1708 H THR 94 HN THR 94 26.175 0.397 0.397 1709 HA THR 94 HA THR 94 28.176 -0.784 -0.784 1710 HB THR 94 HB THR 94 28.736 1.473 1.473 1711 HG1 THR 94 1HG THR 94 30.686 1.657 1.657 1712 1HG2 THR 94 3HG2 THR 94 27.227 2.178 2.178 1713 2HG2 THR 94 2HG2 THR 94 28.737 2.119 2.119 1714 3HG2 THR 94 1HG2 THR 94 28.588 3.188 3.188 1715 H ASN 95 HN ASN 95 29.365 -2.303 -2.303 1716 HA ASN 95 HA ASN 95 28.801 -3.289 -3.289 1717 1HB ASN 95 2HB ASN 95 31.022 -4.492 -4.492 1718 2HB ASN 95 1HB ASN 95 29.898 -4.716 -4.716 1719 1HD2 ASN 95 2HD2 ASN 95 32.977 -4.153 -4.153 1720 2HD2 ASN 95 1HD2 ASN 95 32.087 -5.383 -5.383 1721 H THR 96 HN THR 96 29.284 -2.644 -2.644 1722 HA THR 96 HA THR 96 30.790 -0.299 -0.299 1723 HB THR 96 HB THR 96 30.213 -0.561 -0.561 1724 HG1 THR 96 1HG THR 96 30.346 -3.313 -3.313 1725 1HG2 THR 96 2HG2 THR 96 28.204 -0.636 -0.636 1726 2HG2 THR 96 1HG2 THR 96 28.084 -2.329 -2.329 1727 3HG2 THR 96 3HG2 THR 96 27.959 -1.057 -1.057 1728 HA PRO 97 HA PRO 97 34.993 -1.615 -1.615 1729 1HB PRO 97 2HB PRO 97 35.054 -0.117 -0.117 1730 2HB PRO 97 1HB PRO 97 36.139 -0.006 -0.006 1731 1HG PRO 97 2HG PRO 97 34.304 1.870 1.870 1732 2HG PRO 97 1HG PRO 97 34.668 1.317 1.317 1733 1HD PRO 97 2HD PRO 97 32.318 0.708 0.708 1734 2HD PRO 97 1HD PRO 97 32.406 0.899 0.899 1735 H ASP 98 HN ASP 98 36.474 -2.858 -2.858 1736 HA ASP 98 HA ASP 98 35.413 -5.110 -5.110 1737 1HB ASP 98 2HB ASP 98 38.058 -3.833 -3.833 1738 2HB ASP 98 1HB ASP 98 37.798 -4.902 -4.902 1739 H GLY 99 HN GLY 99 34.224 -5.421 -5.421 1740 1HA GLY 99 2HA GLY 99 33.259 -5.086 -5.086 1741 2HA GLY 99 1HA GLY 99 34.901 -4.748 -4.748 1742 H ALA 100 HN ALA 100 32.754 -2.953 -2.953 1743 HA ALA 100 HA ALA 100 33.475 -0.441 -0.441 1744 1HB ALA 100 2HB ALA 100 31.215 -1.328 -1.328 1745 2HB ALA 100 1HB ALA 100 31.428 0.353 0.353 1746 3HB ALA 100 3HB ALA 100 32.685 -0.460 -0.460 1747 H ALA 101 HN ALA 101 32.251 1.035 1.035 1748 HA ALA 101 HA ALA 101 31.137 0.085 0.085 1749 1HB ALA 101 3HB ALA 101 31.919 2.385 2.385 1750 2HB ALA 101 2HB ALA 101 30.536 2.721 2.721 1751 3HB ALA 101 1HB ALA 101 30.283 2.333 2.333 1752 H LYS 102 HN LYS 102 28.930 0.412 0.412 1753 HA LYS 102 HA LYS 102 27.023 -0.722 -0.722 1754 1HB LYS 102 2HB LYS 102 26.587 -0.233 -0.233 1755 2HB LYS 102 1HB LYS 102 25.702 -1.330 -1.330 1756 1HG LYS 102 2HG LYS 102 27.027 -2.871 -2.871 1757 2HG LYS 102 1HG LYS 102 28.174 -2.341 -2.341 1758 1HD LYS 102 2HD LYS 102 29.564 -1.492 -1.492 1759 2HD LYS 102 1HD LYS 102 28.252 -0.662 -0.662 1760 1HE LYS 102 2HE LYS 102 28.107 -3.514 -3.514 1761 2HE LYS 102 1HE LYS 102 29.686 -2.889 -2.889 1762 1HZ LYS 102 1HZ LYS 102 27.191 -1.585 -1.585 1763 2HZ LYS 102 3HZ LYS 102 27.843 -2.900 -2.900 1764 3HZ LYS 102 2HZ LYS 102 28.739 -1.475 -1.475 1765 H GLN 103 HN GLN 103 27.025 1.381 1.381 1766 HA GLN 103 HA GLN 103 24.631 2.745 2.745 1767 1HB GLN 103 2HB GLN 103 26.895 3.794 3.794 1768 2HB GLN 103 1HB GLN 103 26.128 5.000 5.000 1769 1HG GLN 103 2HG GLN 103 24.285 5.086 5.086 1770 2HG GLN 103 1HG GLN 103 24.261 3.344 3.344 1771 1HE2 GLN 103 2HE2 GLN 103 25.579 5.805 5.805 1772 2HE2 GLN 103 1HE2 GLN 103 24.775 6.318 6.318 1773 H PHE 104 HN PHE 104 24.142 4.049 4.049 1774 HA PHE 104 HA PHE 104 25.651 3.750 3.750 1775 1HB PHE 104 2HB PHE 104 23.222 4.186 4.186 1776 2HB PHE 104 1HB PHE 104 23.525 5.816 5.816 1777 HD1 PHE 104 1HD PHE 104 23.764 3.569 3.569 1778 HD2 PHE 104 2HD PHE 104 24.342 7.538 7.538 1779 HE1 PHE 104 1HE PHE 104 23.958 4.368 4.368 1780 HE2 PHE 104 2HE PHE 104 24.536 8.345 8.345 1781 HZ PHE 104 HZ PHE 104 24.344 6.758 6.758 1782 H ARG 105 HN ARG 105 27.207 4.941 4.941 1783 HA ARG 105 HA ARG 105 28.009 7.439 7.439 1784 1HB ARG 105 2HB ARG 105 29.502 5.154 5.154 1785 2HB ARG 105 1HB ARG 105 30.072 6.039 6.039 1786 1HG ARG 105 2HG ARG 105 31.525 6.785 6.785 1787 2HG ARG 105 1HG ARG 105 30.269 8.021 8.021 1788 1HD ARG 105 2HD ARG 105 29.343 6.137 6.137 1789 2HD ARG 105 1HD ARG 105 31.088 6.002 6.002 1790 HE ARG 105 HE ARG 105 29.411 8.153 8.153 1791 1HH1 ARG 105 1HH2 ARG 105 32.623 7.333 7.333 1792 2HH1 ARG 105 2HH2 ARG 105 33.373 8.666 8.666 1793 1HH2 ARG 105 1HH1 ARG 105 30.387 9.914 9.914 1794 2HH2 ARG 105 2HH1 ARG 105 32.102 10.133 10.133 1795 H ARG 106 HN ARG 106 28.969 9.070 9.070 1796 HA ARG 106 HA ARG 106 27.784 9.128 9.128 1797 1HB ARG 106 2HB ARG 106 27.868 11.009 11.009 1798 2HB ARG 106 1HB ARG 106 29.262 11.486 11.486 1799 1HG ARG 106 2HG ARG 106 27.793 11.530 11.530 1800 2HG ARG 106 1HG ARG 106 26.417 11.216 11.216 1801 1HD ARG 106 2HD ARG 106 26.874 13.270 13.270 1802 2HD ARG 106 1HD ARG 106 28.286 13.575 13.575 1803 HE ARG 106 HE ARG 106 26.041 13.306 13.306 1804 1HH1 ARG 106 1HH2 ARG 106 27.343 15.476 15.476 1805 2HH1 ARG 106 2HH2 ARG 106 26.577 16.878 16.878 1806 1HH2 ARG 106 1HH1 ARG 106 25.029 15.146 15.146 1807 2HH2 ARG 106 2HH1 ARG 106 25.260 16.691 16.691 1808 H GLU 107 HN GLU 107 30.743 8.300 8.300 1809 HA GLU 107 HA GLU 107 32.382 9.405 9.405 1810 1HB GLU 107 2HB GLU 107 32.823 8.282 8.282 1811 2HB GLU 107 1HB GLU 107 33.841 7.465 7.465 1812 1HG GLU 107 2HG GLU 107 34.652 9.675 9.675 1813 2HG GLU 107 1HG GLU 107 33.719 10.421 10.421 1814 H TRP 108 HN TRP 108 30.547 6.567 6.567 1815 HA TRP 108 HA TRP 108 32.033 4.672 4.672 1816 1HB TRP 108 2HB TRP 108 29.066 4.972 4.972 1817 2HB TRP 108 1HB TRP 108 29.761 3.596 3.596 1818 HD1 TRP 108 1HD TRP 108 32.313 4.015 4.015 1819 HE1 TRP 108 1HE TRP 108 31.933 2.688 2.688 1820 HE3 TRP 108 3HE TRP 108 27.313 3.071 3.071 1821 HZ2 TRP 108 2HZ TRP 108 29.794 1.410 1.410 1822 HZ3 TRP 108 3HZ TRP 108 26.176 1.789 1.789 1823 HH2 TRP 108 2HH TRP 108 27.392 0.977 0.977 1824 H PHE 109 HN PHE 109 30.440 7.481 7.481 1825 HA PHE 109 HA PHE 109 30.722 6.527 6.527 1826 1HB PHE 109 2HB PHE 109 28.631 8.515 8.515 1827 2HB PHE 109 1HB PHE 109 28.749 7.676 7.676 1828 HD1 PHE 109 1HD PHE 109 28.405 6.923 6.923 1829 HD2 PHE 109 2HD PHE 109 27.384 5.866 5.866 1830 HE1 PHE 109 1HE PHE 109 26.914 5.161 5.161 1831 HE2 PHE 109 2HE PHE 109 25.890 4.103 4.103 1832 HZ PHE 109 HZ PHE 109 25.653 3.748 3.748 1833 H GLN 110 HN GLN 110 32.711 7.868 7.868 1834 HA GLN 110 HA GLN 110 33.116 10.165 10.165 1835 1HB GLN 110 2HB GLN 110 32.832 10.374 10.374 1836 2HB GLN 110 1HB GLN 110 33.829 11.516 11.516 1837 1HG GLN 110 2HG GLN 110 31.823 12.015 12.015 1838 2HG GLN 110 1HG GLN 110 30.876 11.041 11.041 1839 1HE2 GLN 110 2HE2 GLN 110 31.557 13.397 13.397 1840 2HE2 GLN 110 1HE2 GLN 110 31.795 11.715 11.715 1841 H GLY 111 HN GLY 111 34.409 7.718 7.718 1842 1HA GLY 111 2HA GLY 111 37.104 8.466 8.466 1843 2HA GLY 111 1HA GLY 111 36.761 7.613 7.613 1844 H ASP 112 HN ASP 112 37.200 5.522 5.522 1845 HA ASP 112 HA ASP 112 37.362 4.168 4.168 1846 1HB ASP 112 2HB ASP 112 38.611 3.748 3.748 1847 2HB ASP 112 1HB ASP 112 38.349 2.330 2.330 1848 H GLY 113 HN GLY 113 36.492 2.027 2.027 1849 1HA GLY 113 2HA GLY 113 35.111 0.246 0.246 1850 2HA GLY 113 1HA GLY 113 34.162 1.522 1.522 1851 H MET 114 HN MET 114 33.708 -0.730 -0.730 1852 HA MET 114 HA MET 114 32.849 0.680 0.680 1853 1HB MET 114 2HB MET 114 32.744 -2.145 -2.145 1854 2HB MET 114 1HB MET 114 31.651 -1.663 -1.663 1855 1HG MET 114 2HG MET 114 33.436 -2.417 -2.417 1856 2HG MET 114 1HG MET 114 33.819 -0.701 -0.701 1857 1HE MET 114 3HE MET 114 33.868 -3.834 -3.834 1858 2HE MET 114 2HE MET 114 35.446 -4.398 -4.398 1859 3HE MET 114 1HE MET 114 35.269 -3.707 -3.707 1860 H VAL 115 HN VAL 115 30.910 1.538 1.538 1861 HA VAL 115 HA VAL 115 28.716 1.004 1.004 1862 HB VAL 115 HB VAL 115 29.088 3.618 3.618 1863 1HG1 VAL 115 2HG1 VAL 115 26.856 2.775 2.775 1864 2HG1 VAL 115 1HG1 VAL 115 27.620 3.218 3.218 1865 3HG1 VAL 115 3HG1 VAL 115 27.380 4.437 4.437 1866 1HG2 VAL 115 3HG2 VAL 115 30.468 2.599 2.599 1867 2HG2 VAL 115 2HG2 VAL 115 30.879 3.945 3.945 1868 3HG2 VAL 115 1HG2 VAL 115 29.697 4.170 4.170 1869 H ARG 116 HN ARG 116 27.092 -0.024 -0.024 1870 HA ARG 116 HA ARG 116 26.696 0.287 0.287 1871 1HB ARG 116 2HB ARG 116 25.782 -1.806 -1.806 1872 2HB ARG 116 1HB ARG 116 25.149 -1.714 -1.714 1873 1HG ARG 116 2HG ARG 116 28.088 -1.926 -1.926 1874 2HG ARG 116 1HG ARG 116 27.046 -3.344 -3.344 1875 1HD ARG 116 2HD ARG 116 26.315 -2.347 -2.347 1876 2HD ARG 116 1HD ARG 116 27.723 -1.297 -1.297 1877 HE ARG 116 HE ARG 116 28.601 -3.899 -3.899 1878 1HH1 ARG 116 1HH2 ARG 116 27.157 -2.017 -2.017 1879 2HH1 ARG 116 2HH2 ARG 116 27.901 -2.929 -2.929 1880 1HH2 ARG 116 1HH1 ARG 116 29.582 -5.108 -5.108 1881 2HH2 ARG 116 2HH1 ARG 116 29.280 -4.687 -4.687 1882 H ARG 117 HN ARG 117 24.671 0.823 0.823 1883 HA ARG 117 HA ARG 117 22.572 1.618 1.618 1884 1HB ARG 117 2HB ARG 117 22.354 3.833 3.833 1885 2HB ARG 117 1HB ARG 117 24.005 3.610 3.610 1886 1HG ARG 117 2HG ARG 117 24.598 3.035 3.035 1887 2HG ARG 117 1HG ARG 117 22.992 3.624 3.624 1888 1HD ARG 117 2HD ARG 117 24.669 5.369 5.369 1889 2HD ARG 117 1HD ARG 117 23.520 5.798 5.798 1890 HE ARG 117 HE ARG 117 25.602 4.591 4.591 1891 1HH1 ARG 117 1HH2 ARG 117 25.251 7.317 7.317 1892 2HH1 ARG 117 2HH2 ARG 117 26.574 8.194 8.194 1893 1HH2 ARG 117 1HH1 ARG 117 27.346 5.739 5.739 1894 2HH2 ARG 117 2HH1 ARG 117 27.766 7.297 7.297 1895 H LYS 118 HN LYS 118 20.509 1.901 1.901 1896 HA LYS 118 HA LYS 118 20.173 1.177 1.177 1897 1HB LYS 118 2HB LYS 118 19.181 -0.491 -0.491 1898 2HB LYS 118 1HB LYS 118 18.372 -0.511 -0.511 1899 1HG LYS 118 2HG LYS 118 20.218 -1.458 -1.458 1900 2HG LYS 118 1HG LYS 118 21.309 -1.054 -1.054 1901 1HD LYS 118 2HD LYS 118 20.743 -3.455 -3.455 1902 2HD LYS 118 1HD LYS 118 20.226 -2.679 -2.679 1903 1HE LYS 118 2HE LYS 118 17.965 -2.370 -2.370 1904 2HE LYS 118 1HE LYS 118 18.567 -3.602 -3.602 1905 1HZ LYS 118 2HZ LYS 118 19.064 -4.746 -4.746 1906 2HZ LYS 118 1HZ LYS 118 17.675 -3.861 -3.861 1907 3HZ LYS 118 3HZ LYS 118 17.638 -4.986 -4.986 1908 H ASN 119 HN ASN 119 18.518 2.259 2.259 1909 HA ASN 119 HA ASN 119 16.783 3.791 3.791 1910 1HB ASN 119 2HB ASN 119 17.027 4.332 4.332 1911 2HB ASN 119 1HB ASN 119 16.600 5.440 5.440 1912 1HD2 ASN 119 2HD2 ASN 119 20.179 5.331 5.331 1913 2HD2 ASN 119 1HD2 ASN 119 18.707 4.728 4.728 1914 H LEU 120 HN LEU 120 14.624 3.542 3.542 1915 HA LEU 120 HA LEU 120 13.502 1.555 1.555 1916 1HB LEU 120 2HB LEU 120 12.778 2.349 2.349 1917 2HB LEU 120 1HB LEU 120 11.624 1.517 1.517 1918 HG LEU 120 HG LEU 120 13.587 -0.209 -0.209 1919 1HD1 LEU 120 2HD1 LEU 120 15.078 1.374 1.374 1920 2HD1 LEU 120 1HD1 LEU 120 14.213 0.723 0.723 1921 3HD1 LEU 120 3HD1 LEU 120 15.131 -0.355 -0.355 1922 1HD2 LEU 120 3HD2 LEU 120 11.261 -0.218 -0.218 1923 2HD2 LEU 120 2HD2 LEU 120 12.397 -1.567 -1.567 1924 3HD2 LEU 120 1HD2 LEU 120 12.376 -0.404 -0.404 1925 HA PRO 121 HA PRO 121 11.096 4.858 4.858 1926 1HB PRO 121 2HB PRO 121 9.429 3.410 3.410 1927 2HB PRO 121 1HB PRO 121 11.151 3.558 3.558 1928 1HG PRO 121 2HG PRO 121 9.694 1.318 1.318 1929 2HG PRO 121 1HG PRO 121 10.953 1.242 1.242 1930 1HD PRO 121 2HD PRO 121 11.438 0.870 0.870 1931 2HD PRO 121 1HD PRO 121 12.648 1.487 1.487 1932 H ILE 122 HN ILE 122 9.320 5.978 5.978 1933 HA ILE 122 HA ILE 122 7.401 4.657 4.657 1934 HB ILE 122 HB ILE 122 7.734 7.620 7.620 1935 1HG1 ILE 122 2HG1 ILE 122 9.793 6.459 6.459 1936 2HG1 ILE 122 1HG1 ILE 122 9.124 7.727 7.727 1937 1HG2 ILE 122 1HG2 ILE 122 6.259 5.986 5.986 1938 2HG2 ILE 122 3HG2 ILE 122 6.605 7.703 7.703 1939 3HG2 ILE 122 2HG2 ILE 122 5.600 7.162 7.162 1940 1HD1 ILE 122 1HD1 ILE 122 7.910 5.284 5.284 1941 2HD1 ILE 122 3HD1 ILE 122 9.650 5.020 5.020 1942 3HD1 ILE 122 2HD1 ILE 122 9.014 6.298 6.298 1943 H GLU 123 HN GLU 123 5.180 4.822 4.822 1944 HA GLU 123 HA GLU 123 4.276 5.941 5.941 1945 1HB GLU 123 2HB GLU 123 3.679 3.199 3.199 1946 2HB GLU 123 1HB GLU 123 2.723 3.947 3.947 1947 1HG GLU 123 2HG GLU 123 5.415 4.151 4.151 1948 2HG GLU 123 1HG GLU 123 5.179 2.508 2.508 1949 H TYR 124 HN TYR 124 1.909 6.215 6.215 1950 HA TYR 124 HA TYR 124 0.772 6.723 6.723 1951 1HB TYR 124 2HB TYR 124 0.472 8.487 8.487 1952 2HB TYR 124 1HB TYR 124 -0.271 8.766 8.766 1953 HD1 TYR 124 1HD TYR 124 2.925 8.715 8.715 1954 HD2 TYR 124 2HD TYR 124 0.968 9.730 9.730 1955 HE1 TYR 124 1HE TYR 124 4.909 9.982 9.982 1956 HE2 TYR 124 2HE TYR 124 2.948 11.001 11.001 1957 HH TYR 124 HH TYR 124 4.883 12.070 12.070 1958 H ASN 125 HN ASN 125 -1.213 5.957 5.957 1959 HA ASN 125 HA ASN 125 -2.759 4.995 4.995 1960 1HB ASN 125 2HB ASN 125 -1.707 3.439 3.439 1961 2HB ASN 125 1HB ASN 125 -3.366 3.696 3.696 1962 1HD2 ASN 125 2HD2 ASN 125 -4.125 0.882 0.882 1963 2HD2 ASN 125 1HD2 ASN 125 -3.930 1.555 1.555 1964 H LEU 126 HN LEU 126 -4.518 6.186 6.186 1965 HA LEU 126 HA LEU 126 -5.704 7.603 7.603 1966 1HB LEU 126 2HB LEU 126 -6.642 7.850 7.850 1967 2HB LEU 126 1HB LEU 126 -6.717 9.032 9.032 1968 HG LEU 126 HG LEU 126 -4.219 8.179 8.179 1969 1HD1 LEU 126 2HD1 LEU 126 -6.209 10.267 10.267 1970 2HD1 LEU 126 1HD1 LEU 126 -4.552 10.867 10.867 1971 3HD1 LEU 126 3HD1 LEU 126 -4.981 9.614 9.614 1972 1HD2 LEU 126 1HD2 LEU 126 -4.643 9.569 9.569 1973 2HD2 LEU 126 3HD2 LEU 126 -3.164 8.900 8.900 1974 3HD2 LEU 126 2HD2 LEU 126 -3.699 10.515 10.515 Start of MODEL 6 1 1H ALA 1 3HN ALA 1 -42.294 4.216 4.216 2 2H ALA 1 2HN ALA 1 -43.010 5.357 5.357 3 3H ALA 1 1HN ALA 1 -41.767 4.317 4.317 4 HA ALA 1 HA ALA 1 -40.155 5.363 5.363 5 1HB ALA 1 1HB ALA 1 -41.655 6.699 6.699 6 2HB ALA 1 3HB ALA 1 -41.418 7.881 7.881 7 3HB ALA 1 2HB ALA 1 -40.024 7.100 7.100 8 H GLN 2 HN GLN 2 -40.008 5.282 5.282 9 HA GLN 2 HA GLN 2 -41.401 7.378 7.378 10 1HB GLN 2 2HB GLN 2 -41.621 4.454 4.454 11 2HB GLN 2 1HB GLN 2 -41.386 5.410 5.410 12 1HG GLN 2 2HG GLN 2 -43.571 5.836 5.836 13 2HG GLN 2 1HG GLN 2 -43.751 4.999 4.999 14 1HE2 GLN 2 2HE2 GLN 2 -43.415 8.008 8.008 15 2HE2 GLN 2 1HE2 GLN 2 -42.885 6.365 6.365 16 H SER 3 HN SER 3 -40.051 8.504 8.504 17 HA SER 3 HA SER 3 -38.239 9.107 9.107 18 1HB SER 3 2HB SER 3 -38.493 6.271 6.271 19 2HB SER 3 1HB SER 3 -36.792 6.735 6.735 20 HG SER 3 HG SER 3 -38.850 7.606 7.606 21 H VAL 4 HN VAL 4 -35.674 8.626 8.626 22 HA VAL 4 HA VAL 4 -34.868 8.671 8.671 23 HB VAL 4 HB VAL 4 -32.813 9.871 9.871 24 1HG1 VAL 4 1HG1 VAL 4 -35.234 10.816 10.816 25 2HG1 VAL 4 3HG1 VAL 4 -35.021 11.658 11.658 26 3HG1 VAL 4 2HG1 VAL 4 -33.800 11.807 11.807 27 1HG2 VAL 4 1HG2 VAL 4 -33.789 9.134 9.134 28 2HG2 VAL 4 3HG2 VAL 4 -32.547 10.351 10.351 29 3HG2 VAL 4 2HG2 VAL 4 -34.231 10.838 10.838 30 HA PRO 5 HA PRO 5 -32.374 5.077 5.077 31 1HB PRO 5 2HB PRO 5 -30.341 5.545 5.545 32 2HB PRO 5 1HB PRO 5 -31.976 5.136 5.136 33 1HG PRO 5 2HG PRO 5 -30.656 7.817 7.817 34 2HG PRO 5 1HG PRO 5 -31.675 7.154 7.154 35 1HD PRO 5 2HD PRO 5 -32.619 8.878 8.878 36 2HD PRO 5 1HD PRO 5 -33.628 7.616 7.616 37 HA PRO 6 HA PRO 6 -29.215 5.752 5.752 38 1HB PRO 6 2HB PRO 6 -27.596 3.680 3.680 39 2HB PRO 6 1HB PRO 6 -28.160 3.742 3.742 40 1HG PRO 6 2HG PRO 6 -29.277 2.083 2.083 41 2HG PRO 6 1HG PRO 6 -30.250 2.905 2.905 42 1HD PRO 6 2HD PRO 6 -29.967 3.517 3.517 43 2HD PRO 6 1HD PRO 6 -31.407 3.599 3.599 44 H GLY 7 HN GLY 7 -27.913 7.467 7.467 45 1HA GLY 7 2HA GLY 7 -26.682 8.568 8.568 46 2HA GLY 7 1HA GLY 7 -26.218 8.904 8.904 47 H ASP 8 HN ASP 8 -24.648 8.496 8.496 48 HA ASP 8 HA ASP 8 -23.245 6.065 6.065 49 1HB ASP 8 2HB ASP 8 -22.352 8.765 8.765 50 2HB ASP 8 1HB ASP 8 -21.503 7.250 7.250 51 H ILE 9 HN ILE 9 -22.090 5.330 5.330 52 HA ILE 9 HA ILE 9 -21.071 7.028 7.028 53 HB ILE 9 HB ILE 9 -20.067 4.980 4.980 54 1HG1 ILE 9 2HG1 ILE 9 -21.358 3.247 3.247 55 2HG1 ILE 9 1HG1 ILE 9 -19.913 4.095 4.095 56 1HG2 ILE 9 3HG2 ILE 9 -22.923 5.173 5.173 57 2HG2 ILE 9 2HG2 ILE 9 -22.370 3.646 3.646 58 3HG2 ILE 9 1HG2 ILE 9 -22.168 5.145 5.145 59 1HD1 ILE 9 1HD1 ILE 9 -19.640 2.808 2.808 60 2HD1 ILE 9 3HD1 ILE 9 -19.936 1.699 1.699 61 3HD1 ILE 9 2HD1 ILE 9 -18.560 2.801 2.801 62 H ASN 10 HN ASN 10 -18.972 7.621 7.621 63 HA ASN 10 HA ASN 10 -17.152 7.592 7.592 64 1HB ASN 10 2HB ASN 10 -17.462 9.175 9.175 65 2HB ASN 10 1HB ASN 10 -15.795 8.884 8.884 66 1HD2 ASN 10 2HD2 ASN 10 -18.240 11.244 11.244 67 2HD2 ASN 10 1HD2 ASN 10 -18.885 10.165 10.165 68 H THR 11 HN THR 11 -15.212 6.548 6.548 69 HA THR 11 HA THR 11 -14.410 4.939 4.939 70 HB THR 11 HB THR 11 -13.679 3.360 3.360 71 HG1 THR 11 1HG THR 11 -15.715 3.187 3.187 72 1HG2 THR 11 1HG2 THR 11 -14.816 2.702 2.702 73 2HG2 THR 11 3HG2 THR 11 -16.342 3.071 3.071 74 3HG2 THR 11 2HG2 THR 11 -15.292 1.807 1.807 75 H GLN 12 HN GLN 12 -12.196 4.485 4.485 76 HA GLN 12 HA GLN 12 -10.402 5.742 5.742 77 1HB GLN 12 2HB GLN 12 -10.471 6.375 6.375 78 2HB GLN 12 1HB GLN 12 -9.105 6.757 6.757 79 1HG GLN 12 2HG GLN 12 -11.888 7.734 7.734 80 2HG GLN 12 1HG GLN 12 -10.745 8.621 8.621 81 1HE2 GLN 12 2HE2 GLN 12 -10.697 9.508 9.508 82 2HE2 GLN 12 1HE2 GLN 12 -12.024 9.089 9.089 83 HA PRO 13 HA PRO 13 -8.877 4.970 4.970 84 1HB PRO 13 2HB PRO 13 -8.923 2.640 2.640 85 2HB PRO 13 1HB PRO 13 -7.453 3.404 3.404 86 1HG PRO 13 2HG PRO 13 -9.023 1.126 1.126 87 2HG PRO 13 1HG PRO 13 -7.265 1.323 1.323 88 1HD PRO 13 2HD PRO 13 -8.552 1.738 1.738 89 2HD PRO 13 1HD PRO 13 -7.166 2.741 2.741 90 H SER 14 HN SER 14 -10.381 5.229 5.229 91 HA SER 14 HA SER 14 -13.088 4.774 4.774 92 1HB SER 14 2HB SER 14 -13.420 5.627 5.627 93 2HB SER 14 1HB SER 14 -12.872 6.729 6.729 94 HG SER 14 HG SER 14 -10.891 6.736 6.736 95 H GLN 15 HN GLN 15 -10.978 3.401 3.401 96 HA GLN 15 HA GLN 15 -12.395 0.921 0.921 97 1HB GLN 15 2HB GLN 15 -13.814 2.513 2.513 98 2HB GLN 15 1HB GLN 15 -12.519 2.382 2.382 99 1HG GLN 15 2HG GLN 15 -13.009 -0.234 -0.234 100 2HG GLN 15 1HG GLN 15 -14.616 0.484 0.484 101 1HE2 GLN 15 2HE2 GLN 15 -14.510 1.582 1.582 102 2HE2 GLN 15 1HE2 GLN 15 -14.811 2.250 2.250 103 H LYS 16 HN LYS 16 -9.751 1.522 1.522 104 HA LYS 16 HA LYS 16 -8.451 -0.213 -0.213 105 1HB LYS 16 2HB LYS 16 -8.486 2.414 2.414 106 2HB LYS 16 1HB LYS 16 -6.946 2.300 2.300 107 1HG LYS 16 2HG LYS 16 -6.023 1.019 1.019 108 2HG LYS 16 1HG LYS 16 -7.503 0.093 0.093 109 1HD LYS 16 2HD LYS 16 -7.512 1.205 1.205 110 2HD LYS 16 1HD LYS 16 -8.271 2.466 2.466 111 1HE LYS 16 2HE LYS 16 -5.721 3.093 3.093 112 2HE LYS 16 1HE LYS 16 -5.533 2.317 2.317 113 1HZ LYS 16 2HZ LYS 16 -7.675 3.947 3.947 114 2HZ LYS 16 1HZ LYS 16 -6.669 4.868 4.868 115 3HZ LYS 16 3HZ LYS 16 -6.092 4.291 4.291 116 H ILE 17 HN ILE 17 -7.468 -1.447 -1.447 117 HA ILE 17 HA ILE 17 -5.722 -0.146 -0.146 118 HB ILE 17 HB ILE 17 -7.697 -0.934 -0.934 119 1HG1 ILE 17 2HG1 ILE 17 -5.482 -2.898 -2.898 120 2HG1 ILE 17 1HG1 ILE 17 -5.317 -1.181 -1.181 121 1HG2 ILE 17 1HG2 ILE 17 -7.144 -3.443 -3.443 122 2HG2 ILE 17 3HG2 ILE 17 -7.908 -3.543 -3.543 123 3HG2 ILE 17 2HG2 ILE 17 -8.675 -2.619 -2.619 124 1HD1 ILE 17 1HD1 ILE 17 -7.463 -2.977 -2.977 125 2HD1 ILE 17 3HD1 ILE 17 -5.995 -2.492 -2.492 126 3HD1 ILE 17 2HD1 ILE 17 -7.198 -1.281 -1.281 127 H VAL 18 HN VAL 18 -3.760 -1.148 -1.148 128 HA VAL 18 HA VAL 18 -3.220 -3.667 -3.667 129 HB VAL 18 HB VAL 18 -2.513 -1.937 -1.937 130 1HG1 VAL 18 1HG1 VAL 18 -2.054 -0.349 -0.349 131 2HG1 VAL 18 3HG1 VAL 18 -0.405 -0.922 -0.922 132 3HG1 VAL 18 2HG1 VAL 18 -1.269 -0.105 -0.105 133 1HG2 VAL 18 2HG2 VAL 18 -0.886 -3.986 -3.986 134 2HG2 VAL 18 1HG2 VAL 18 -0.798 -3.231 -3.231 135 3HG2 VAL 18 3HG2 VAL 18 0.170 -2.598 -2.598 136 H PHE 19 HN PHE 19 -2.863 -4.864 -4.864 137 HA PHE 19 HA PHE 19 -1.656 -4.077 -4.077 138 1HB PHE 19 2HB PHE 19 -1.510 -6.811 -6.811 139 2HB PHE 19 1HB PHE 19 -1.219 -6.459 -6.459 140 HD1 PHE 19 2HD PHE 19 -3.494 -4.423 -4.423 141 HD2 PHE 19 1HD PHE 19 -3.298 -8.336 -8.336 142 HE1 PHE 19 2HE PHE 19 -5.888 -4.740 -4.740 143 HE2 PHE 19 1HE PHE 19 -5.691 -8.659 -8.659 144 HZ PHE 19 HZ PHE 19 -6.989 -6.860 -6.860 145 H ASN 20 HN ASN 20 0.328 -3.394 -3.394 146 HA ASN 20 HA ASN 20 2.448 -3.716 -3.716 147 1HB ASN 20 2HB ASN 20 2.075 -2.069 -2.069 148 2HB ASN 20 1HB ASN 20 3.699 -2.325 -2.325 149 1HD2 ASN 20 2HD2 ASN 20 1.079 0.135 0.135 150 2HD2 ASN 20 1HD2 ASN 20 0.596 -0.878 -0.878 151 H ALA 21 HN ALA 21 4.116 -5.071 -5.071 152 HA ALA 21 HA ALA 21 4.159 -7.261 -7.261 153 1HB ALA 21 1HB ALA 21 5.932 -6.099 -6.099 154 2HB ALA 21 3HB ALA 21 6.777 -7.021 -7.021 155 3HB ALA 21 2HB ALA 21 5.500 -7.783 -7.783 156 HA PRO 22 HA PRO 22 6.304 -8.486 -8.486 157 1HB PRO 22 2HB PRO 22 7.225 -9.826 -9.826 158 2HB PRO 22 1HB PRO 22 8.245 -8.662 -8.662 159 1HG PRO 22 2HG PRO 22 6.758 -8.348 -8.348 160 2HG PRO 22 1HG PRO 22 8.385 -7.792 -7.792 161 1HD PRO 22 2HD PRO 22 6.115 -6.210 -6.210 162 2HD PRO 22 1HD PRO 22 7.599 -5.868 -5.868 163 H TYR 23 HN TYR 23 5.357 -10.595 -10.595 164 HA TYR 23 HA TYR 23 2.832 -10.441 -10.441 165 1HB TYR 23 2HB TYR 23 3.633 -12.192 -12.192 166 2HB TYR 23 1HB TYR 23 2.086 -12.291 -12.291 167 HD1 TYR 23 2HD TYR 23 1.385 -9.488 -9.488 168 HD2 TYR 23 1HD TYR 23 3.164 -11.396 -11.396 169 HE1 TYR 23 2HE TYR 23 0.476 -7.739 -7.739 170 HE2 TYR 23 1HE TYR 23 2.261 -9.650 -9.650 171 HH TYR 23 HH TYR 23 -0.106 -7.820 -7.820 172 H ASP 24 HN ASP 24 5.512 -11.154 -11.154 173 HA ASP 24 HA ASP 24 5.122 -13.966 -13.966 174 1HB ASP 24 2HB ASP 24 7.385 -12.721 -12.721 175 2HB ASP 24 1HB ASP 24 7.451 -12.437 -12.437 176 H ASP 25 HN ASP 25 3.865 -11.234 -11.234 177 HA ASP 25 HA ASP 25 3.825 -12.216 -12.216 178 1HB ASP 25 2HB ASP 25 4.190 -10.019 -10.019 179 2HB ASP 25 1HB ASP 25 5.526 -10.396 -10.396 180 H LYS 26 HN LYS 26 2.147 -10.812 -10.812 181 HA LYS 26 HA LYS 26 -0.269 -10.717 -10.717 182 1HB LYS 26 2HB LYS 26 -0.032 -10.897 -10.897 183 2HB LYS 26 1HB LYS 26 -1.521 -10.995 -10.995 184 1HG LYS 26 2HG LYS 26 -1.256 -13.194 -13.194 185 2HG LYS 26 1HG LYS 26 0.094 -12.958 -12.958 186 1HD LYS 26 2HD LYS 26 1.605 -12.733 -12.733 187 2HD LYS 26 1HD LYS 26 0.242 -13.081 -13.081 188 1HE LYS 26 2HE LYS 26 -0.032 -15.231 -15.231 189 2HE LYS 26 1HE LYS 26 1.580 -14.892 -14.892 190 1HZ LYS 26 2HZ LYS 26 2.160 -14.682 -14.682 191 2HZ LYS 26 1HZ LYS 26 0.765 -15.612 -15.612 192 3HZ LYS 26 3HZ LYS 26 2.044 -16.212 -16.212 193 H HIS 27 HN HIS 27 -0.812 -8.754 -8.754 194 HA HIS 27 HA HIS 27 -0.614 -6.524 -6.524 195 1HB HIS 27 2HB HIS 27 -0.325 -5.186 -5.186 196 2HB HIS 27 1HB HIS 27 1.040 -5.770 -5.770 197 HD1 HIS 27 1HD HIS 27 1.595 -8.497 -8.497 198 HD2 HIS 27 2HD HIS 27 0.020 -5.765 -5.765 199 HE1 HIS 27 1HE HIS 27 2.136 -9.387 -9.387 200 H THR 28 HN THR 28 -2.228 -4.954 -4.954 201 HA THR 28 HA THR 28 -4.596 -5.757 -5.757 202 HB THR 28 HB THR 28 -5.563 -4.094 -4.094 203 HG1 THR 28 1HG THR 28 -3.743 -3.961 -3.961 204 1HG2 THR 28 3HG2 THR 28 -5.831 -6.780 -6.780 205 2HG2 THR 28 2HG2 THR 28 -5.422 -6.763 -6.763 206 3HG2 THR 28 1HG2 THR 28 -6.815 -5.852 -5.852 207 H TYR 29 HN TYR 29 -5.376 -4.377 -4.377 208 HA TYR 29 HA TYR 29 -4.125 -1.754 -1.754 209 1HB TYR 29 2HB TYR 29 -5.941 -3.292 -3.292 210 2HB TYR 29 1HB TYR 29 -5.292 -1.693 -1.693 211 HD1 TYR 29 1HD TYR 29 -4.317 -5.210 -5.210 212 HD2 TYR 29 2HD TYR 29 -3.134 -1.440 -1.440 213 HE1 TYR 29 1HE TYR 29 -2.292 -6.244 -6.244 214 HE2 TYR 29 2HE TYR 29 -1.106 -2.464 -2.464 215 HH TYR 29 HH TYR 29 0.327 -4.695 -4.695 216 H HIS 30 HN HIS 30 -5.056 -0.011 -0.011 217 HA HIS 30 HA HIS 30 -7.752 -0.086 -0.086 218 1HB HIS 30 2HB HIS 30 -5.553 1.955 1.955 219 2HB HIS 30 1HB HIS 30 -7.190 2.412 2.412 220 HD1 HIS 30 1HD HIS 30 -4.625 2.287 2.287 221 HD2 HIS 30 2HD HIS 30 -7.702 -0.492 -0.492 222 HE1 HIS 30 1HE HIS 30 -4.669 1.059 1.059 223 H ILE 31 HN ILE 31 -9.549 0.714 0.714 224 HA ILE 31 HA ILE 31 -9.295 2.255 2.255 225 HB ILE 31 HB ILE 31 -11.630 0.462 0.462 226 1HG1 ILE 31 2HG1 ILE 31 -9.246 -0.278 -0.278 227 2HG1 ILE 31 1HG1 ILE 31 -9.459 -0.823 -0.823 228 1HG2 ILE 31 1HG2 ILE 31 -10.681 2.045 2.045 229 2HG2 ILE 31 3HG2 ILE 31 -11.536 0.535 0.535 230 3HG2 ILE 31 2HG2 ILE 31 -12.316 1.811 1.811 231 1HD1 ILE 31 2HD1 ILE 31 -11.731 -1.323 -1.323 232 2HD1 ILE 31 1HD1 ILE 31 -10.251 -2.212 -2.212 233 3HD1 ILE 31 3HD1 ILE 31 -10.997 -2.354 -2.354 234 H LYS 32 HN LYS 32 -10.808 3.919 3.919 235 HA LYS 32 HA LYS 32 -12.214 4.778 4.778 236 1HB LYS 32 2HB LYS 32 -10.264 6.155 6.155 237 2HB LYS 32 1HB LYS 32 -11.522 6.671 6.671 238 1HG LYS 32 2HG LYS 32 -11.995 8.266 8.266 239 2HG LYS 32 1HG LYS 32 -12.680 6.999 6.999 240 1HD LYS 32 2HD LYS 32 -10.692 6.794 6.794 241 2HD LYS 32 1HD LYS 32 -9.758 7.710 7.710 242 1HE LYS 32 2HE LYS 32 -10.220 9.053 9.053 243 2HE LYS 32 1HE LYS 32 -11.014 9.727 9.727 244 1HZ LYS 32 3HZ LYS 32 -12.449 7.904 7.904 245 2HZ LYS 32 2HZ LYS 32 -12.348 9.561 9.561 246 3HZ LYS 32 1HZ LYS 32 -13.088 9.022 9.022 247 H ILE 33 HN ILE 33 -14.349 4.880 4.880 248 HA ILE 33 HA ILE 33 -15.702 5.070 5.070 249 HB ILE 33 HB ILE 33 -16.663 3.525 3.525 250 1HG1 ILE 33 2HG1 ILE 33 -15.973 2.326 2.326 251 2HG1 ILE 33 1HG1 ILE 33 -14.707 2.621 2.621 252 1HG2 ILE 33 1HG2 ILE 33 -17.909 4.256 4.256 253 2HG2 ILE 33 3HG2 ILE 33 -18.273 2.678 2.678 254 3HG2 ILE 33 2HG2 ILE 33 -18.626 4.146 4.146 255 1HD1 ILE 33 3HD1 ILE 33 -17.172 1.073 1.073 256 2HD1 ILE 33 2HD1 ILE 33 -15.775 0.309 0.309 257 3HD1 ILE 33 1HD1 ILE 33 -15.608 1.091 1.091 258 H THR 34 HN THR 34 -17.688 6.236 6.236 259 HA THR 34 HA THR 34 -18.434 7.696 7.696 260 HB THR 34 HB THR 34 -17.562 9.079 9.079 261 HG1 THR 34 1HG THR 34 -15.777 9.403 9.403 262 1HG2 THR 34 1HG2 THR 34 -19.491 10.224 10.224 263 2HG2 THR 34 3HG2 THR 34 -18.674 10.302 10.302 264 3HG2 THR 34 2HG2 THR 34 -18.015 11.174 11.174 265 H ASN 35 HN ASN 35 -20.476 8.771 8.771 266 HA ASN 35 HA ASN 35 -22.246 7.483 7.483 267 1HB ASN 35 2HB ASN 35 -22.526 7.641 7.641 268 2HB ASN 35 1HB ASN 35 -23.360 9.125 9.125 269 1HD2 ASN 35 2HD2 ASN 35 -25.756 7.214 7.214 270 2HD2 ASN 35 1HD2 ASN 35 -24.609 8.478 8.478 271 H ALA 36 HN ALA 36 -21.440 8.941 8.941 272 HA ALA 36 HA ALA 36 -21.647 11.694 11.694 273 1HB ALA 36 1HB ALA 36 -20.896 9.847 9.847 274 2HB ALA 36 3HB ALA 36 -22.434 10.365 10.365 275 3HB ALA 36 2HB ALA 36 -21.163 11.548 11.548 276 H GLY 37 HN GLY 37 -24.162 9.309 9.309 277 1HA GLY 37 2HA GLY 37 -26.200 10.896 10.896 278 2HA GLY 37 1HA GLY 37 -26.448 9.475 9.475 279 H GLY 38 HN GLY 38 -28.196 10.366 10.366 280 1HA GLY 38 2HA GLY 38 -27.433 12.440 12.440 281 2HA GLY 38 1HA GLY 38 -28.952 12.555 12.555 282 H ARG 39 HN ARG 39 -28.353 9.327 9.327 283 HA ARG 39 HA ARG 39 -29.610 9.347 9.347 284 1HB ARG 39 2HB ARG 39 -30.608 7.716 7.716 285 2HB ARG 39 1HB ARG 39 -31.224 7.633 7.633 286 1HG ARG 39 2HG ARG 39 -31.239 10.308 10.308 287 2HG ARG 39 1HG ARG 39 -32.322 9.122 9.122 288 1HD ARG 39 2HD ARG 39 -32.377 9.112 9.112 289 2HD ARG 39 1HD ARG 39 -32.867 10.653 10.653 290 HE ARG 39 HE ARG 39 -34.231 8.704 8.704 291 1HH1 ARG 39 1HH2 ARG 39 -34.011 9.787 9.787 292 2HH1 ARG 39 2HH2 ARG 39 -35.636 9.333 9.333 293 1HH2 ARG 39 1HH1 ARG 39 -36.372 8.103 8.103 294 2HH2 ARG 39 2HH1 ARG 39 -36.980 8.377 8.377 295 H ARG 40 HN ARG 40 -29.745 6.985 6.985 296 HA ARG 40 HA ARG 40 -27.092 5.960 5.960 297 1HB ARG 40 2HB ARG 40 -29.655 4.777 4.777 298 2HB ARG 40 1HB ARG 40 -28.040 4.181 4.181 299 1HG ARG 40 2HG ARG 40 -27.475 6.186 6.186 300 2HG ARG 40 1HG ARG 40 -28.968 6.969 6.969 301 1HD ARG 40 2HD ARG 40 -28.798 4.543 4.543 302 2HD ARG 40 1HD ARG 40 -29.079 6.193 6.193 303 HE ARG 40 HE ARG 40 -31.043 5.713 5.713 304 1HH1 ARG 40 1HH2 ARG 40 -30.002 4.236 4.236 305 2HH1 ARG 40 2HH2 ARG 40 -31.584 3.668 3.668 306 1HH2 ARG 40 1HH1 ARG 40 -33.129 4.972 4.972 307 2HH2 ARG 40 2HH1 ARG 40 -33.362 4.087 4.087 308 H ILE 41 HN ILE 41 -26.420 3.806 3.806 309 HA ILE 41 HA ILE 41 -28.103 2.394 2.394 310 HB ILE 41 HB ILE 41 -26.392 2.347 2.347 311 1HG1 ILE 41 2HG1 ILE 41 -24.921 4.275 4.275 312 2HG1 ILE 41 1HG1 ILE 41 -24.403 2.652 2.652 313 1HG2 ILE 41 2HG2 ILE 41 -28.185 4.228 4.228 314 2HG2 ILE 41 1HG2 ILE 41 -26.771 5.250 5.250 315 3HG2 ILE 41 3HG2 ILE 41 -26.954 4.355 4.355 316 1HD1 ILE 41 2HD1 ILE 41 -24.900 4.444 4.444 317 2HD1 ILE 41 1HD1 ILE 41 -23.573 4.924 4.924 318 3HD1 ILE 41 3HD1 ILE 41 -23.567 3.330 3.330 319 H GLY 42 HN GLY 42 -27.791 0.244 0.244 320 1HA GLY 42 2HA GLY 42 -25.767 -0.805 -0.805 321 2HA GLY 42 1HA GLY 42 -27.096 -1.710 -1.710 322 H TRP 43 HN TRP 43 -23.799 -1.207 -1.207 323 HA TRP 43 HA TRP 43 -23.589 -2.133 -2.133 324 1HB TRP 43 2HB TRP 43 -21.251 -1.356 -1.356 325 2HB TRP 43 1HB TRP 43 -22.394 -0.060 -0.060 326 HD1 TRP 43 1HD TRP 43 -22.512 0.833 0.833 327 HE1 TRP 43 1HE TRP 43 -20.777 0.752 0.752 328 HE3 TRP 43 3HE TRP 43 -19.401 -2.750 -2.750 329 HZ2 TRP 43 2HZ TRP 43 -18.401 -0.646 -0.646 330 HZ3 TRP 43 3HZ TRP 43 -17.418 -3.402 -3.402 331 HH2 TRP 43 2HH TRP 43 -16.929 -2.370 -2.370 332 H ALA 44 HN ALA 44 -21.909 -3.663 -3.663 333 HA ALA 44 HA ALA 44 -20.867 -5.347 -5.347 334 1HB ALA 44 3HB ALA 44 -23.329 -6.039 -6.039 335 2HB ALA 44 2HB ALA 44 -22.393 -6.871 -6.871 336 3HB ALA 44 1HB ALA 44 -22.107 -7.224 -7.224 337 H ILE 45 HN ILE 45 -19.101 -6.566 -6.566 338 HA ILE 45 HA ILE 45 -18.263 -6.059 -6.059 339 HB ILE 45 HB ILE 45 -16.386 -6.611 -6.611 340 1HG1 ILE 45 2HG1 ILE 45 -17.748 -4.567 -4.567 341 2HG1 ILE 45 1HG1 ILE 45 -16.033 -4.230 -4.230 342 1HG2 ILE 45 3HG2 ILE 45 -16.133 -6.078 -6.078 343 2HG2 ILE 45 2HG2 ILE 45 -15.102 -5.057 -5.057 344 3HG2 ILE 45 1HG2 ILE 45 -14.990 -6.813 -6.813 345 1HD1 ILE 45 2HD1 ILE 45 -17.809 -4.035 -4.035 346 2HD1 ILE 45 1HD1 ILE 45 -17.880 -2.762 -2.762 347 3HD1 ILE 45 3HD1 ILE 45 -16.357 -3.120 -3.120 348 H LYS 46 HN LYS 46 -17.531 -7.707 -7.707 349 HA LYS 46 HA LYS 46 -17.150 -10.343 -10.343 350 1HB LYS 46 2HB LYS 46 -18.520 -11.400 -11.400 351 2HB LYS 46 1HB LYS 46 -19.465 -10.383 -10.383 352 1HG LYS 46 2HG LYS 46 -19.255 -8.560 -8.560 353 2HG LYS 46 1HG LYS 46 -18.602 -9.790 -9.790 354 1HD LYS 46 2HD LYS 46 -21.317 -9.805 -9.805 355 2HD LYS 46 1HD LYS 46 -20.977 -9.523 -9.523 356 1HE LYS 46 2HE LYS 46 -20.127 -11.780 -11.780 357 2HE LYS 46 1HE LYS 46 -20.344 -12.067 -12.067 358 1HZ LYS 46 1HZ LYS 46 -22.705 -11.204 -11.204 359 2HZ LYS 46 3HZ LYS 46 -22.137 -12.755 -12.755 360 3HZ LYS 46 2HZ LYS 46 -22.550 -12.361 -12.361 361 H THR 47 HN THR 47 -15.429 -11.361 -11.361 362 HA THR 47 HA THR 47 -14.213 -10.256 -10.256 363 HB THR 47 HB THR 47 -12.089 -11.137 -11.137 364 HG1 THR 47 1HG THR 47 -12.723 -12.918 -12.918 365 1HG2 THR 47 3HG2 THR 47 -13.049 -8.903 -8.903 366 2HG2 THR 47 2HG2 THR 47 -13.266 -9.773 -9.773 367 3HG2 THR 47 1HG2 THR 47 -11.656 -9.613 -9.613 368 H THR 48 HN THR 48 -13.401 -11.635 -11.635 369 HA THR 48 HA THR 48 -14.930 -13.838 -13.838 370 HB THR 48 HB THR 48 -13.167 -14.334 -14.334 371 HG1 THR 48 1HG THR 48 -11.729 -12.294 -12.294 372 1HG2 THR 48 3HG2 THR 48 -14.680 -12.030 -12.030 373 2HG2 THR 48 2HG2 THR 48 -13.053 -11.464 -11.464 374 3HG2 THR 48 1HG2 THR 48 -13.828 -12.665 -12.665 375 H ASN 49 HN ASN 49 -12.126 -13.616 -13.616 376 HA ASN 49 HA ASN 49 -12.247 -16.529 -16.529 377 1HB ASN 49 2HB ASN 49 -9.766 -14.799 -14.799 378 2HB ASN 49 1HB ASN 49 -9.830 -16.532 -16.532 379 1HD2 ASN 49 2HD2 ASN 49 -10.577 -17.262 -17.262 380 2HD2 ASN 49 1HD2 ASN 49 -11.228 -17.607 -17.607 381 H MET 50 HN MET 50 -13.303 -16.709 -16.709 382 HA MET 50 HA MET 50 -12.647 -14.884 -14.884 383 1HB MET 50 2HB MET 50 -14.962 -16.619 -16.619 384 2HB MET 50 1HB MET 50 -14.610 -16.386 -16.386 385 1HG MET 50 2HG MET 50 -14.587 -13.912 -13.912 386 2HG MET 50 1HG MET 50 -16.140 -14.744 -14.744 387 1HE MET 50 1HE MET 50 -13.480 -12.881 -12.881 388 2HE MET 50 3HE MET 50 -14.824 -11.820 -11.820 389 3HE MET 50 2HE MET 50 -14.474 -12.170 -12.170 390 H ARG 51 HN ARG 51 -10.900 -17.110 -17.110 391 HA ARG 51 HA ARG 51 -10.863 -18.782 -18.782 392 1HB ARG 51 2HB ARG 51 -9.167 -19.369 -19.369 393 2HB ARG 51 1HB ARG 51 -9.854 -20.478 -20.478 394 1HG ARG 51 2HG ARG 51 -12.006 -20.332 -20.332 395 2HG ARG 51 1HG ARG 51 -11.518 -18.974 -18.974 396 1HD ARG 51 2HD ARG 51 -10.500 -20.304 -20.304 397 2HD ARG 51 1HD ARG 51 -9.909 -21.423 -21.423 398 HE ARG 51 HE ARG 51 -12.650 -21.783 -21.783 399 1HH1 ARG 51 1HH2 ARG 51 -9.900 -22.106 -22.106 400 2HH1 ARG 51 2HH2 ARG 51 -10.604 -23.382 -23.382 401 1HH2 ARG 51 1HH1 ARG 51 -13.588 -23.462 -23.462 402 2HH2 ARG 51 2HH1 ARG 51 -12.702 -24.154 -24.154 403 H ARG 52 HN ARG 52 -8.786 -16.869 -16.869 404 HA ARG 52 HA ARG 52 -6.699 -16.878 -16.878 405 1HB ARG 52 2HB ARG 52 -6.551 -15.997 -15.997 406 2HB ARG 52 1HB ARG 52 -5.204 -16.037 -16.037 407 1HG ARG 52 2HG ARG 52 -4.837 -18.192 -18.192 408 2HG ARG 52 1HG ARG 52 -6.539 -18.597 -18.597 409 1HD ARG 52 2HD ARG 52 -6.948 -17.737 -17.737 410 2HD ARG 52 1HD ARG 52 -5.198 -17.637 -17.637 411 HE ARG 52 HE ARG 52 -5.935 -20.222 -20.222 412 1HH1 ARG 52 1HH2 ARG 52 -6.028 -18.155 -18.155 413 2HH1 ARG 52 2HH2 ARG 52 -5.995 -19.465 -19.465 414 1HH2 ARG 52 1HH1 ARG 52 -5.892 -21.958 -21.958 415 2HH2 ARG 52 2HH1 ARG 52 -5.919 -21.628 -21.628 416 H LEU 53 HN LEU 53 -8.676 -14.733 -14.733 417 HA LEU 53 HA LEU 53 -7.673 -12.411 -12.411 418 1HB LEU 53 2HB LEU 53 -9.597 -12.442 -12.442 419 2HB LEU 53 1HB LEU 53 -8.730 -11.059 -11.059 420 HG LEU 53 HG LEU 53 -7.211 -13.383 -13.383 421 1HD1 LEU 53 1HD1 LEU 53 -8.895 -11.471 -11.471 422 2HD1 LEU 53 3HD1 LEU 53 -7.250 -11.662 -11.662 423 3HD1 LEU 53 2HD1 LEU 53 -8.307 -13.067 -13.067 424 1HD2 LEU 53 1HD2 LEU 53 -6.384 -11.170 -11.170 425 2HD2 LEU 53 3HD2 LEU 53 -5.436 -11.987 -11.987 426 3HD2 LEU 53 2HD2 LEU 53 -6.402 -10.572 -10.572 427 H SER 54 HN SER 54 -9.073 -10.962 -10.962 428 HA SER 54 HA SER 54 -11.860 -11.656 -11.656 429 1HB SER 54 2HB SER 54 -9.807 -12.188 -12.188 430 2HB SER 54 1HB SER 54 -11.339 -11.498 -11.498 431 HG SER 54 HG SER 54 -11.094 -13.912 -13.912 432 H VAL 55 HN VAL 55 -12.796 -10.118 -10.118 433 HA VAL 55 HA VAL 55 -11.460 -7.526 -7.526 434 HB VAL 55 HB VAL 55 -14.330 -7.617 -7.617 435 1HG1 VAL 55 3HG1 VAL 55 -13.441 -5.511 -5.511 436 2HG1 VAL 55 2HG1 VAL 55 -12.146 -5.564 -5.564 437 3HG1 VAL 55 1HG1 VAL 55 -13.821 -5.389 -5.389 438 1HG2 VAL 55 1HG2 VAL 55 -12.942 -8.940 -8.940 439 2HG2 VAL 55 3HG2 VAL 55 -13.687 -7.505 -7.505 440 3HG2 VAL 55 2HG2 VAL 55 -11.976 -7.492 -7.492 441 H ASP 56 HN ASP 56 -12.335 -6.048 -6.048 442 HA ASP 56 HA ASP 56 -14.477 -6.844 -6.844 443 1HB ASP 56 2HB ASP 56 -11.626 -7.170 -7.170 444 2HB ASP 56 1HB ASP 56 -12.849 -6.727 -6.727 445 HA PRO 57 HA PRO 57 -15.761 -6.010 -6.010 446 1HB PRO 57 2HB PRO 57 -17.594 -3.819 -3.819 447 2HB PRO 57 1HB PRO 57 -17.291 -4.614 -4.614 448 1HG PRO 57 2HG PRO 57 -16.515 -2.074 -2.074 449 2HG PRO 57 1HG PRO 57 -15.609 -3.155 -3.155 450 1HD PRO 57 2HD PRO 57 -15.056 -2.412 -2.412 451 2HD PRO 57 1HD PRO 57 -13.925 -2.584 -2.584 452 HA PRO 58 HA PRO 58 -16.766 -7.405 -7.405 453 1HB PRO 58 2HB PRO 58 -19.017 -8.735 -8.735 454 2HB PRO 58 1HB PRO 58 -17.811 -9.425 -9.425 455 1HG PRO 58 2HG PRO 58 -17.665 -9.840 -9.840 456 2HG PRO 58 1HG PRO 58 -16.200 -9.575 -9.575 457 1HD PRO 58 2HD PRO 58 -17.631 -7.702 -7.702 458 2HD PRO 58 1HD PRO 58 -15.888 -7.898 -7.898 459 H CYS 59 HN CYS 59 -19.462 -6.533 -6.533 460 HA CYS 59 HA CYS 59 -20.584 -4.895 -4.895 461 1HB CYS 59 2HB CYS 59 -22.874 -5.684 -5.684 462 2HB CYS 59 1HB CYS 59 -21.883 -6.904 -6.904 463 HG CYS 59 HG CYS 59 -22.483 -6.893 -6.893 464 H GLY 60 HN GLY 60 -22.293 -3.379 -3.379 465 1HA GLY 60 2HA GLY 60 -22.573 -2.816 -2.816 466 2HA GLY 60 1HA GLY 60 -21.262 -1.835 -1.835 467 H VAL 61 HN VAL 61 -22.793 -0.118 -0.118 468 HA VAL 61 HA VAL 61 -24.497 0.666 0.666 469 HB VAL 61 HB VAL 61 -25.951 -0.293 -0.293 470 1HG1 VAL 61 3HG1 VAL 61 -24.282 0.885 0.885 471 2HG1 VAL 61 2HG1 VAL 61 -25.607 2.048 2.048 472 3HG1 VAL 61 1HG1 VAL 61 -25.921 0.360 0.360 473 1HG2 VAL 61 1HG2 VAL 61 -26.139 2.388 2.388 474 2HG2 VAL 61 3HG2 VAL 61 -27.329 1.087 1.087 475 3HG2 VAL 61 2HG2 VAL 61 -27.142 2.157 2.157 476 H LEU 62 HN LEU 62 -24.031 2.651 2.651 477 HA LEU 62 HA LEU 62 -22.485 4.405 4.405 478 1HB LEU 62 2HB LEU 62 -22.428 3.817 3.817 479 2HB LEU 62 1HB LEU 62 -22.487 5.541 5.541 480 HG LEU 62 HG LEU 62 -20.538 4.842 4.842 481 1HD1 LEU 62 1HD1 LEU 62 -20.892 2.552 2.552 482 2HD1 LEU 62 3HD1 LEU 62 -19.328 3.286 3.286 483 3HD1 LEU 62 2HD1 LEU 62 -19.725 2.815 2.815 484 1HD2 LEU 62 3HD2 LEU 62 -20.589 6.550 6.550 485 2HD2 LEU 62 2HD2 LEU 62 -19.027 5.817 5.817 486 3HD2 LEU 62 1HD2 LEU 62 -19.952 5.273 5.273 487 H ASP 63 HN ASP 63 -22.915 6.730 6.730 488 HA ASP 63 HA ASP 63 -25.792 7.262 7.262 489 1HB ASP 63 2HB ASP 63 -23.946 8.950 8.950 490 2HB ASP 63 1HB ASP 63 -25.696 8.791 8.791 491 HA PRO 64 HA PRO 64 -25.228 10.485 10.485 492 1HB PRO 64 2HB PRO 64 -26.223 12.570 12.570 493 2HB PRO 64 1HB PRO 64 -26.861 12.057 12.057 494 1HG PRO 64 2HG PRO 64 -28.109 11.426 11.426 495 2HG PRO 64 1HG PRO 64 -28.050 10.296 10.296 496 1HD PRO 64 2HD PRO 64 -26.457 10.296 10.296 497 2HD PRO 64 1HD PRO 64 -27.158 8.929 8.929 498 H LYS 65 HN LYS 65 -23.215 11.109 11.109 499 HA LYS 65 HA LYS 65 -21.292 12.326 12.326 500 1HB LYS 65 2HB LYS 65 -23.107 13.935 13.935 501 2HB LYS 65 1HB LYS 65 -21.440 14.127 14.127 502 1HG LYS 65 2HG LYS 65 -21.211 14.288 14.288 503 2HG LYS 65 1HG LYS 65 -22.763 15.071 15.071 504 1HD LYS 65 2HD LYS 65 -21.209 16.812 16.812 505 2HD LYS 65 1HD LYS 65 -21.524 16.376 16.376 506 1HE LYS 65 2HE LYS 65 -19.236 16.471 16.471 507 2HE LYS 65 1HE LYS 65 -19.479 14.770 14.770 508 1HZ LYS 65 3HZ LYS 65 -19.415 15.714 15.714 509 2HZ LYS 65 2HZ LYS 65 -18.523 16.952 16.952 510 3HZ LYS 65 1HZ LYS 65 -17.987 15.351 15.351 511 H GLU 66 HN GLU 66 -21.716 9.952 9.952 512 HA GLU 66 HA GLU 66 -19.766 10.460 10.460 513 1HB GLU 66 2HB GLU 66 -22.050 8.646 8.646 514 2HB GLU 66 1HB GLU 66 -20.611 7.867 7.867 515 1HG GLU 66 2HG GLU 66 -20.597 9.993 9.993 516 2HG GLU 66 1HG GLU 66 -22.318 9.981 9.981 517 H LYS 67 HN LYS 67 -17.915 9.160 9.160 518 HA LYS 67 HA LYS 67 -17.239 7.578 7.578 519 1HB LYS 67 2HB LYS 67 -14.794 8.336 8.336 520 2HB LYS 67 1HB LYS 67 -15.733 9.232 9.232 521 1HG LYS 67 2HG LYS 67 -14.899 10.818 10.818 522 2HG LYS 67 1HG LYS 67 -16.609 10.618 10.618 523 1HD LYS 67 2HD LYS 67 -16.086 9.227 9.227 524 2HD LYS 67 1HD LYS 67 -14.382 9.167 9.167 525 1HE LYS 67 2HE LYS 67 -14.566 10.725 10.725 526 2HE LYS 67 1HE LYS 67 -14.315 11.658 11.658 527 1HZ LYS 67 2HZ LYS 67 -16.877 11.766 11.766 528 2HZ LYS 67 1HZ LYS 67 -16.761 11.371 11.371 529 3HZ LYS 67 3HZ LYS 67 -16.026 12.778 12.778 530 H VAL 68 HN VAL 68 -16.341 5.613 5.613 531 HA VAL 68 HA VAL 68 -15.697 4.805 4.805 532 HB VAL 68 HB VAL 68 -17.860 3.849 3.849 533 1HG1 VAL 68 2HG1 VAL 68 -16.266 2.558 2.558 534 2HG1 VAL 68 1HG1 VAL 68 -17.932 2.160 2.160 535 3HG1 VAL 68 3HG1 VAL 68 -17.535 3.768 3.768 536 1HG2 VAL 68 2HG2 VAL 68 -16.176 2.632 2.632 537 2HG2 VAL 68 1HG2 VAL 68 -17.431 1.644 1.644 538 3HG2 VAL 68 3HG2 VAL 68 -15.802 1.657 1.657 539 H LEU 69 HN LEU 69 -14.157 3.091 3.091 540 HA LEU 69 HA LEU 69 -12.252 3.035 3.035 541 1HB LEU 69 2HB LEU 69 -11.875 2.475 2.475 542 2HB LEU 69 1HB LEU 69 -10.617 2.285 2.285 543 HG LEU 69 HG LEU 69 -12.002 4.905 4.905 544 1HD1 LEU 69 2HD1 LEU 69 -9.454 3.762 3.762 545 2HD1 LEU 69 1HD1 LEU 69 -9.841 5.483 5.483 546 3HD1 LEU 69 3HD1 LEU 69 -10.867 4.336 4.336 547 1HD2 LEU 69 2HD2 LEU 69 -10.215 3.997 3.997 548 2HD2 LEU 69 1HD2 LEU 69 -10.952 5.586 5.586 549 3HD2 LEU 69 3HD2 LEU 69 -9.411 5.220 5.220 550 H MET 70 HN MET 70 -11.502 1.141 1.141 551 HA MET 70 HA MET 70 -12.714 -1.349 -1.349 552 1HB MET 70 2HB MET 70 -12.641 -0.214 -0.214 553 2HB MET 70 1HB MET 70 -12.380 -1.947 -1.947 554 1HG MET 70 2HG MET 70 -14.524 -1.855 -1.855 555 2HG MET 70 1HG MET 70 -14.802 -0.335 -0.335 556 1HE MET 70 2HE MET 70 -13.924 -0.436 -0.436 557 2HE MET 70 1HE MET 70 -13.051 -1.959 -1.959 558 3HE MET 70 3HE MET 70 -14.534 -1.683 -1.683 559 H ALA 71 HN ALA 71 -11.503 -3.289 -3.289 560 HA ALA 71 HA ALA 71 -8.635 -2.827 -2.827 561 1HB ALA 71 1HB ALA 71 -9.311 -3.159 -3.159 562 2HB ALA 71 3HB ALA 71 -9.619 -4.837 -4.837 563 3HB ALA 71 2HB ALA 71 -8.001 -4.158 -4.158 564 H VAL 72 HN VAL 72 -7.890 -3.992 -3.992 565 HA VAL 72 HA VAL 72 -9.424 -6.302 -6.302 566 HB VAL 72 HB VAL 72 -7.079 -4.977 -4.977 567 1HG1 VAL 72 2HG1 VAL 72 -8.305 -7.393 -7.393 568 2HG1 VAL 72 1HG1 VAL 72 -9.085 -6.292 -6.292 569 3HG1 VAL 72 3HG1 VAL 72 -7.330 -6.463 -6.463 570 1HG2 VAL 72 2HG2 VAL 72 -9.449 -3.738 -3.738 571 2HG2 VAL 72 1HG2 VAL 72 -8.405 -3.396 -3.396 572 3HG2 VAL 72 3HG2 VAL 72 -9.770 -4.499 -4.499 573 H SER 73 HN SER 73 -8.853 -8.044 -8.044 574 HA SER 73 HA SER 73 -6.247 -8.565 -8.565 575 1HB SER 73 2HB SER 73 -8.744 -10.212 -10.212 576 2HB SER 73 1HB SER 73 -7.232 -10.970 -10.970 577 HG SER 73 HG SER 73 -8.939 -9.543 -9.543 578 H CYS 74 HN CYS 74 -4.521 -9.114 -9.114 579 HA CYS 74 HA CYS 74 -4.886 -10.762 -10.762 580 1HB CYS 74 2HB CYS 74 -2.993 -8.458 -8.458 581 2HB CYS 74 1HB CYS 74 -2.788 -9.607 -9.607 582 HG CYS 74 HG CYS 74 -4.105 -7.732 -7.732 583 H ASP 75 HN ASP 75 -4.067 -12.722 -12.722 584 HA ASP 75 HA ASP 75 -1.923 -13.112 -13.112 585 1HB ASP 75 2HB ASP 75 -3.721 -15.091 -15.091 586 2HB ASP 75 1HB ASP 75 -2.456 -15.536 -15.536 587 H THR 76 HN THR 76 -0.042 -14.316 -14.316 588 HA THR 76 HA THR 76 1.266 -13.620 -13.620 589 HB THR 76 HB THR 76 3.016 -15.021 -15.021 590 HG1 THR 76 1HG THR 76 1.125 -16.531 -16.531 591 1HG2 THR 76 1HG2 THR 76 2.335 -13.279 -13.279 592 2HG2 THR 76 3HG2 THR 76 1.622 -14.612 -14.612 593 3HG2 THR 76 2HG2 THR 76 3.352 -14.604 -14.604 594 H PHE 77 HN PHE 77 2.217 -15.195 -15.195 595 HA PHE 77 HA PHE 77 0.971 -17.619 -17.619 596 1HB PHE 77 2HB PHE 77 -0.486 -17.037 -17.037 597 2HB PHE 77 1HB PHE 77 -0.964 -16.070 -16.070 598 HD1 PHE 77 2HD PHE 77 -0.326 -13.666 -13.666 599 HD2 PHE 77 1HD PHE 77 0.252 -16.031 -16.031 600 HE1 PHE 77 2HE PHE 77 -0.106 -11.618 -11.618 601 HE2 PHE 77 1HE PHE 77 0.474 -13.988 -13.988 602 HZ PHE 77 HZ PHE 77 0.294 -11.777 -11.777 603 H ASN 78 HN ASN 78 1.111 -17.584 -17.584 604 HA ASN 78 HA ASN 78 3.871 -16.727 -16.727 605 1HB ASN 78 2HB ASN 78 2.652 -19.422 -19.422 606 2HB ASN 78 1HB ASN 78 4.194 -18.860 -18.860 607 1HD2 ASN 78 2HD2 ASN 78 3.857 -20.117 -20.117 608 2HD2 ASN 78 1HD2 ASN 78 2.461 -19.798 -19.798 609 H ALA 79 HN ALA 79 3.390 -15.058 -15.058 610 HA ALA 79 HA ALA 79 1.363 -15.185 -15.185 611 1HB ALA 79 1HB ALA 79 2.508 -13.130 -13.130 612 2HB ALA 79 3HB ALA 79 3.589 -13.222 -13.222 613 3HB ALA 79 2HB ALA 79 1.856 -12.997 -12.997 614 H ALA 80 HN ALA 80 4.672 -16.148 -16.148 615 HA ALA 80 HA ALA 80 5.561 -15.943 -15.943 616 1HB ALA 80 3HB ALA 80 6.382 -17.280 -17.280 617 2HB ALA 80 2HB ALA 80 6.237 -18.538 -18.538 618 3HB ALA 80 1HB ALA 80 7.268 -17.135 -17.135 619 H THR 81 HN THR 81 3.361 -18.350 -18.350 620 HA THR 81 HA THR 81 2.748 -19.209 -19.209 621 HB THR 81 HB THR 81 2.461 -21.506 -21.506 622 HG1 THR 81 1HG THR 81 2.425 -21.929 -21.929 623 1HG2 THR 81 2HG2 THR 81 4.714 -20.668 -20.668 624 2HG2 THR 81 1HG2 THR 81 5.154 -20.578 -20.578 625 3HG2 THR 81 3HG2 THR 81 4.709 -22.129 -22.129 626 H GLU 82 HN GLU 82 1.298 -17.231 -17.231 627 HA GLU 82 HA GLU 82 -1.286 -18.544 -18.544 628 1HB GLU 82 2HB GLU 82 0.018 -16.694 -16.694 629 2HB GLU 82 1HB GLU 82 -1.732 -16.704 -16.704 630 1HG GLU 82 2HG GLU 82 -0.338 -19.301 -19.301 631 2HG GLU 82 1HG GLU 82 -0.491 -18.225 -18.225 632 H ASP 83 HN ASP 83 -3.085 -17.230 -17.230 633 HA ASP 83 HA ASP 83 -2.567 -15.379 -15.379 634 1HB ASP 83 2HB ASP 83 -5.099 -15.045 -15.045 635 2HB ASP 83 1HB ASP 83 -4.530 -16.673 -16.673 636 H LEU 84 HN LEU 84 -3.004 -13.166 -13.166 637 HA LEU 84 HA LEU 84 -3.322 -11.816 -11.816 638 1HB LEU 84 2HB LEU 84 -1.628 -10.756 -10.756 639 2HB LEU 84 1HB LEU 84 -1.712 -10.173 -10.173 640 HG LEU 84 HG LEU 84 -0.563 -12.836 -12.836 641 1HD1 LEU 84 1HD1 LEU 84 0.701 -10.191 -10.191 642 2HD1 LEU 84 3HD1 LEU 84 1.579 -11.711 -11.711 643 3HD1 LEU 84 2HD1 LEU 84 0.947 -11.221 -11.221 644 1HD2 LEU 84 2HD2 LEU 84 -1.610 -12.635 -12.635 645 2HD2 LEU 84 1HD2 LEU 84 0.075 -13.150 -13.150 646 3HD2 LEU 84 3HD2 LEU 84 -0.324 -11.487 -11.487 647 H ASN 85 HN ASN 85 -5.214 -12.493 -12.493 648 HA ASN 85 HA ASN 85 -6.330 -9.807 -9.807 649 1HB ASN 85 2HB ASN 85 -5.635 -11.661 -11.661 650 2HB ASN 85 1HB ASN 85 -6.986 -10.544 -10.544 651 1HD2 ASN 85 2HD2 ASN 85 -4.933 -7.635 -7.635 652 2HD2 ASN 85 1HD2 ASN 85 -6.452 -8.243 -8.243 653 H ASN 86 HN ASN 86 -6.934 -12.188 -12.188 654 HA ASN 86 HA ASN 86 -9.680 -12.657 -12.657 655 1HB ASN 86 2HB ASN 86 -7.740 -14.582 -14.582 656 2HB ASN 86 1HB ASN 86 -9.476 -14.874 -14.874 657 1HD2 ASN 86 2HD2 ASN 86 -7.501 -14.923 -14.923 658 2HD2 ASN 86 1HD2 ASN 86 -6.947 -13.916 -13.916 659 H ASP 87 HN ASP 87 -8.074 -10.957 -10.957 660 HA ASP 87 HA ASP 87 -9.875 -11.611 -11.611 661 1HB ASP 87 2HB ASP 87 -7.116 -10.569 -10.569 662 2HB ASP 87 1HB ASP 87 -8.130 -9.825 -9.825 663 H ARG 88 HN ARG 88 -11.533 -10.316 -10.316 664 HA ARG 88 HA ARG 88 -11.337 -7.467 -7.467 665 1HB ARG 88 2HB ARG 88 -13.207 -9.404 -9.404 666 2HB ARG 88 1HB ARG 88 -13.843 -7.820 -7.820 667 1HG ARG 88 2HG ARG 88 -12.191 -6.738 -6.738 668 2HG ARG 88 1HG ARG 88 -11.410 -8.283 -8.283 669 1HD ARG 88 2HD ARG 88 -12.871 -8.784 -8.784 670 2HD ARG 88 1HD ARG 88 -14.249 -8.311 -8.311 671 HE ARG 88 HE ARG 88 -12.804 -6.058 -6.058 672 1HH1 ARG 88 1HH2 ARG 88 -15.189 -8.461 -8.461 673 2HH1 ARG 88 2HH2 ARG 88 -15.955 -7.482 -7.482 674 1HH2 ARG 88 1HH1 ARG 88 -13.803 -4.759 -4.759 675 2HH2 ARG 88 2HH1 ARG 88 -15.166 -5.376 -5.376 676 H ILE 89 HN ILE 89 -12.703 -6.147 -6.147 677 HA ILE 89 HA ILE 89 -14.069 -7.513 -7.513 678 HB ILE 89 HB ILE 89 -12.704 -4.818 -4.818 679 1HG1 ILE 89 2HG1 ILE 89 -11.917 -7.427 -7.427 680 2HG1 ILE 89 1HG1 ILE 89 -11.137 -6.739 -6.739 681 1HG2 ILE 89 2HG2 ILE 89 -14.724 -5.063 -5.063 682 2HG2 ILE 89 1HG2 ILE 89 -13.901 -6.382 -6.382 683 3HG2 ILE 89 3HG2 ILE 89 -13.230 -4.752 -4.752 684 1HD1 ILE 89 1HD1 ILE 89 -11.310 -5.196 -5.196 685 2HD1 ILE 89 3HD1 ILE 89 -10.048 -6.400 -6.400 686 3HD1 ILE 89 2HD1 ILE 89 -10.178 -5.012 -5.012 687 H THR 90 HN THR 90 -16.188 -7.402 -7.402 688 HA THR 90 HA THR 90 -17.330 -5.068 -5.068 689 HB THR 90 HB THR 90 -19.022 -7.338 -7.338 690 HG1 THR 90 1HG THR 90 -17.387 -7.550 -7.550 691 1HG2 THR 90 3HG2 THR 90 -19.831 -5.358 -5.358 692 2HG2 THR 90 2HG2 THR 90 -18.946 -6.094 -6.094 693 3HG2 THR 90 1HG2 THR 90 -20.257 -6.978 -6.978 694 H ILE 91 HN ILE 91 -18.138 -3.435 -3.435 695 HA ILE 91 HA ILE 91 -18.988 -3.893 -3.893 696 HB ILE 91 HB ILE 91 -18.169 -1.266 -1.266 697 1HG1 ILE 91 2HG1 ILE 91 -16.177 -1.743 -1.743 698 2HG1 ILE 91 1HG1 ILE 91 -16.595 -3.415 -3.415 699 1HG2 ILE 91 2HG2 ILE 91 -19.432 -1.978 -1.978 700 2HG2 ILE 91 1HG2 ILE 91 -17.852 -1.264 -1.264 701 3HG2 ILE 91 3HG2 ILE 91 -19.041 -0.379 -0.379 702 1HD1 ILE 91 1HD1 ILE 91 -16.482 -2.439 -2.439 703 2HD1 ILE 91 3HD1 ILE 91 -15.327 -1.371 -1.371 704 3HD1 ILE 91 2HD1 ILE 91 -15.092 -3.118 -3.118 705 H GLU 92 HN GLU 92 -21.140 -4.293 -4.293 706 HA GLU 92 HA GLU 92 -22.791 -2.529 -2.529 707 1HB GLU 92 2HB GLU 92 -23.815 -4.892 -4.892 708 2HB GLU 92 1HB GLU 92 -24.470 -4.163 -4.163 709 1HG GLU 92 2HG GLU 92 -22.639 -5.036 -5.036 710 2HG GLU 92 1HG GLU 92 -21.875 -5.679 -5.679 711 H TRP 93 HN TRP 93 -24.767 -1.632 -1.632 712 HA TRP 93 HA TRP 93 -25.173 -1.531 -1.531 713 1HB TRP 93 2HB TRP 93 -24.628 0.756 0.756 714 2HB TRP 93 1HB TRP 93 -23.218 0.022 0.022 715 HD1 TRP 93 1HD TRP 93 -25.537 2.910 2.910 716 HE1 TRP 93 1HE TRP 93 -25.026 4.216 4.216 717 HE3 TRP 93 3HE TRP 93 -22.446 -0.465 -0.465 718 HZ2 TRP 93 2HZ TRP 93 -23.516 3.862 3.862 719 HZ3 TRP 93 3HZ TRP 93 -21.510 0.096 0.096 720 HH2 TRP 93 2HH TRP 93 -22.035 2.215 2.215 721 H THR 94 HN THR 94 -27.165 -0.762 -0.762 722 HA THR 94 HA THR 94 -28.782 0.568 0.568 723 HB THR 94 HB THR 94 -29.376 -1.677 -1.677 724 HG1 THR 94 1HG THR 94 -31.518 -1.739 -1.739 725 1HG2 THR 94 2HG2 THR 94 -28.378 -2.726 -2.726 726 2HG2 THR 94 1HG2 THR 94 -29.741 -2.154 -2.154 727 3HG2 THR 94 3HG2 THR 94 -30.007 -3.314 -3.314 728 H ASN 95 HN ASN 95 -30.052 2.107 2.107 729 HA ASN 95 HA ASN 95 -29.816 3.055 3.055 730 1HB ASN 95 2HB ASN 95 -32.064 4.180 4.180 731 2HB ASN 95 1HB ASN 95 -30.798 4.477 4.477 732 1HD2 ASN 95 2HD2 ASN 95 -32.818 3.487 3.487 733 2HD2 ASN 95 1HD2 ASN 95 -31.573 4.507 4.507 734 H THR 96 HN THR 96 -31.000 2.918 2.918 735 HA THR 96 HA THR 96 -32.360 0.375 0.375 736 HB THR 96 HB THR 96 -31.949 0.614 0.614 737 HG1 THR 96 1HG THR 96 -32.421 2.405 2.405 738 1HG2 THR 96 2HG2 THR 96 -29.804 0.806 0.806 739 2HG2 THR 96 1HG2 THR 96 -29.753 2.448 2.448 740 3HG2 THR 96 3HG2 THR 96 -29.725 1.068 1.068 741 HA PRO 97 HA PRO 97 -36.504 1.894 1.894 742 1HB PRO 97 2HB PRO 97 -36.964 0.183 0.183 743 2HB PRO 97 1HB PRO 97 -37.836 0.223 0.223 744 1HG PRO 97 2HG PRO 97 -36.134 -1.751 -1.751 745 2HG PRO 97 1HG PRO 97 -36.244 -1.065 -1.065 746 1HD PRO 97 2HD PRO 97 -34.156 -0.659 -0.659 747 2HD PRO 97 1HD PRO 97 -33.987 -0.743 -0.743 748 H ASP 98 HN ASP 98 -38.055 3.139 3.139 749 HA ASP 98 HA ASP 98 -37.067 5.194 5.194 750 1HB ASP 98 2HB ASP 98 -39.744 4.050 4.050 751 2HB ASP 98 1HB ASP 98 -39.590 5.020 5.020 752 H GLY 99 HN GLY 99 -36.071 5.256 5.256 753 1HA GLY 99 2HA GLY 99 -35.366 4.653 4.653 754 2HA GLY 99 1HA GLY 99 -37.081 4.429 4.429 755 H ALA 100 HN ALA 100 -34.778 2.648 2.648 756 HA ALA 100 HA ALA 100 -35.794 0.140 0.140 757 1HB ALA 100 2HB ALA 100 -33.987 0.916 0.916 758 2HB ALA 100 1HB ALA 100 -33.993 -0.748 -0.748 759 3HB ALA 100 3HB ALA 100 -35.479 -0.024 -0.024 760 H ALA 101 HN ALA 101 -34.616 1.441 1.441 761 HA ALA 101 HA ALA 101 -33.058 1.255 1.255 762 1HB ALA 101 3HB ALA 101 -33.071 -1.430 -1.430 763 2HB ALA 101 2HB ALA 101 -31.832 -1.067 -1.067 764 3HB ALA 101 1HB ALA 101 -33.539 -0.948 -0.948 765 H LYS 102 HN LYS 102 -30.749 0.998 0.998 766 HA LYS 102 HA LYS 102 -29.145 1.986 1.986 767 1HB LYS 102 2HB LYS 102 -29.430 2.968 2.968 768 2HB LYS 102 1HB LYS 102 -27.947 2.036 2.036 769 1HG LYS 102 2HG LYS 102 -26.777 3.584 3.584 770 2HG LYS 102 1HG LYS 102 -27.941 3.643 3.643 771 1HD LYS 102 2HD LYS 102 -29.387 5.080 5.080 772 2HD LYS 102 1HD LYS 102 -28.041 5.153 5.153 773 1HE LYS 102 2HE LYS 102 -26.680 5.932 5.932 774 2HE LYS 102 1HE LYS 102 -28.264 6.302 6.302 775 1HZ LYS 102 3HZ LYS 102 -28.009 7.293 7.293 776 2HZ LYS 102 2HZ LYS 102 -26.784 7.901 7.901 777 3HZ LYS 102 1HZ LYS 102 -28.407 8.122 8.122 778 H GLN 103 HN GLN 103 -29.059 -0.248 -0.248 779 HA GLN 103 HA GLN 103 -26.562 -1.434 -1.434 780 1HB GLN 103 2HB GLN 103 -28.464 -2.228 -2.228 781 2HB GLN 103 1HB GLN 103 -28.656 -3.449 -3.449 782 1HG GLN 103 2HG GLN 103 -26.921 -4.545 -4.545 783 2HG GLN 103 1HG GLN 103 -25.886 -3.156 -3.156 784 1HE2 GLN 103 2HE2 GLN 103 -25.214 -3.324 -3.324 785 2HE2 GLN 103 1HE2 GLN 103 -24.658 -3.722 -3.722 786 H PHE 104 HN PHE 104 -25.982 -3.111 -3.111 787 HA PHE 104 HA PHE 104 -27.100 -2.852 -2.852 788 1HB PHE 104 2HB PHE 104 -24.772 -3.454 -3.454 789 2HB PHE 104 1HB PHE 104 -25.213 -4.927 -4.927 790 HD1 PHE 104 1HD PHE 104 -25.156 -3.259 -3.259 791 HD2 PHE 104 2HD PHE 104 -25.898 -6.885 -6.885 792 HE1 PHE 104 1HE PHE 104 -25.180 -4.485 -4.485 793 HE2 PHE 104 2HE PHE 104 -25.924 -8.119 -8.119 794 HZ PHE 104 HZ PHE 104 -25.564 -6.918 -6.918 795 H ARG 105 HN ARG 105 -28.176 -4.426 -4.426 796 HA ARG 105 HA ARG 105 -29.455 -6.638 -6.638 797 1HB ARG 105 2HB ARG 105 -30.950 -4.466 -4.466 798 2HB ARG 105 1HB ARG 105 -31.667 -5.997 -5.997 799 1HG ARG 105 2HG ARG 105 -30.468 -3.983 -3.983 800 2HG ARG 105 1HG ARG 105 -32.190 -4.160 -4.160 801 1HD ARG 105 2HD ARG 105 -31.303 -6.727 -6.727 802 2HD ARG 105 1HD ARG 105 -30.503 -5.664 -5.664 803 HE ARG 105 HE ARG 105 -33.284 -5.077 -5.077 804 1HH1 ARG 105 1HH2 ARG 105 -30.998 -7.248 -7.248 805 2HH1 ARG 105 2HH2 ARG 105 -32.033 -7.639 -7.639 806 1HH2 ARG 105 1HH1 ARG 105 -34.656 -5.583 -5.583 807 2HH2 ARG 105 2HH1 ARG 105 -34.112 -6.693 -6.693 808 H ARG 106 HN ARG 106 -30.214 -8.308 -8.308 809 HA ARG 106 HA ARG 106 -29.024 -8.281 -8.281 810 1HB ARG 106 2HB ARG 106 -28.593 -10.084 -10.084 811 2HB ARG 106 1HB ARG 106 -30.080 -10.772 -10.772 812 1HG ARG 106 2HG ARG 106 -29.033 -10.790 -10.790 813 2HG ARG 106 1HG ARG 106 -27.523 -10.269 -10.269 814 1HD ARG 106 2HD ARG 106 -27.261 -12.564 -12.564 815 2HD ARG 106 1HD ARG 106 -27.856 -12.332 -12.332 816 HE ARG 106 HE ARG 106 -29.258 -13.575 -13.575 817 1HH1 ARG 106 1HH2 ARG 106 -29.466 -12.291 -12.291 818 2HH1 ARG 106 2HH2 ARG 106 -30.926 -13.143 -13.143 819 1HH2 ARG 106 1HH1 ARG 106 -31.175 -14.688 -14.688 820 2HH2 ARG 106 2HH1 ARG 106 -31.896 -14.500 -14.500 821 H GLU 107 HN GLU 107 -31.646 -7.094 -7.094 822 HA GLU 107 HA GLU 107 -33.404 -8.742 -8.742 823 1HB GLU 107 2HB GLU 107 -35.264 -7.417 -7.417 824 2HB GLU 107 1HB GLU 107 -34.416 -8.592 -8.592 825 1HG GLU 107 2HG GLU 107 -33.470 -7.007 -7.007 826 2HG GLU 107 1HG GLU 107 -33.388 -5.818 -5.818 827 H TRP 108 HN TRP 108 -32.041 -5.580 -5.580 828 HA TRP 108 HA TRP 108 -33.663 -4.092 -4.092 829 1HB TRP 108 2HB TRP 108 -30.740 -3.603 -3.603 830 2HB TRP 108 1HB TRP 108 -31.925 -2.417 -2.417 831 HD1 TRP 108 1HD TRP 108 -34.161 -3.623 -3.623 832 HE1 TRP 108 1HE TRP 108 -33.921 -2.810 -2.810 833 HE3 TRP 108 3HE TRP 108 -29.299 -2.045 -2.045 834 HZ2 TRP 108 2HZ TRP 108 -31.936 -1.652 -1.652 835 HZ3 TRP 108 3HZ TRP 108 -28.306 -1.097 -1.097 836 HH2 TRP 108 2HH TRP 108 -29.598 -0.905 -0.905 837 H PHE 109 HN PHE 109 -31.031 -6.284 -6.284 838 HA PHE 109 HA PHE 109 -30.600 -5.421 -5.421 839 1HB PHE 109 2HB PHE 109 -29.507 -7.679 -7.679 840 2HB PHE 109 1HB PHE 109 -29.156 -7.541 -7.541 841 HD1 PHE 109 1HD PHE 109 -28.606 -6.091 -6.091 842 HD2 PHE 109 2HD PHE 109 -27.714 -5.800 -5.800 843 HE1 PHE 109 1HE PHE 109 -26.757 -4.550 -4.550 844 HE2 PHE 109 2HE PHE 109 -25.863 -4.259 -4.259 845 HZ PHE 109 HZ PHE 109 -25.382 -3.633 -3.633 846 H GLN 110 HN GLN 110 -32.160 -8.102 -8.102 847 HA GLN 110 HA GLN 110 -32.806 -9.648 -9.648 848 1HB GLN 110 2HB GLN 110 -34.021 -9.408 -9.408 849 2HB GLN 110 1HB GLN 110 -34.713 -10.478 -10.478 850 1HG GLN 110 2HG GLN 110 -31.892 -10.599 -10.599 851 2HG GLN 110 1HG GLN 110 -33.217 -11.660 -11.660 852 1HE2 GLN 110 2HE2 GLN 110 -33.291 -13.356 -13.356 853 2HE2 GLN 110 1HE2 GLN 110 -34.353 -12.662 -12.662 854 H GLY 111 HN GLY 111 -34.272 -6.796 -6.796 855 1HA GLY 111 2HA GLY 111 -36.788 -7.017 -7.017 856 2HA GLY 111 1HA GLY 111 -36.101 -5.550 -5.550 857 H ASP 112 HN ASP 112 -37.565 -6.049 -6.049 858 HA ASP 112 HA ASP 112 -35.584 -5.622 -5.622 859 1HB ASP 112 2HB ASP 112 -38.576 -5.888 -5.888 860 2HB ASP 112 1HB ASP 112 -37.752 -5.280 -5.280 861 H GLY 113 HN GLY 113 -34.701 -3.685 -3.685 862 1HA GLY 113 2HA GLY 113 -35.221 -1.429 -1.429 863 2HA GLY 113 1HA GLY 113 -36.400 -1.310 -1.310 864 H MET 114 HN MET 114 -33.772 0.102 0.102 865 HA MET 114 HA MET 114 -32.025 1.143 1.143 866 1HB MET 114 2HB MET 114 -33.793 0.723 0.723 867 2HB MET 114 1HB MET 114 -32.348 1.726 1.726 868 1HG MET 114 2HG MET 114 -33.426 3.435 3.435 869 2HG MET 114 1HG MET 114 -34.117 2.422 2.422 870 1HE MET 114 2HE MET 114 -36.038 1.408 1.408 871 2HE MET 114 1HE MET 114 -36.709 0.615 0.615 872 3HE MET 114 3HE MET 114 -37.517 2.024 2.024 873 H VAL 115 HN VAL 115 -30.269 -0.066 -0.066 874 HA VAL 115 HA VAL 115 -28.939 -1.160 -1.160 875 HB VAL 115 HB VAL 115 -30.620 -2.912 -2.912 876 1HG1 VAL 115 2HG1 VAL 115 -31.142 -2.710 -2.710 877 2HG1 VAL 115 1HG1 VAL 115 -29.900 -3.951 -3.951 878 3HG1 VAL 115 3HG1 VAL 115 -31.333 -4.267 -4.267 879 1HG2 VAL 115 2HG2 VAL 115 -27.954 -3.308 -3.308 880 2HG2 VAL 115 1HG2 VAL 115 -29.135 -4.558 -4.558 881 3HG2 VAL 115 3HG2 VAL 115 -28.450 -4.475 -4.475 882 H ARG 116 HN ARG 116 -27.145 -0.317 -0.317 883 HA ARG 116 HA ARG 116 -26.479 -1.178 -1.178 884 1HB ARG 116 2HB ARG 116 -26.345 1.267 1.267 885 2HB ARG 116 1HB ARG 116 -24.774 0.717 0.717 886 1HG ARG 116 2HG ARG 116 -23.921 0.521 0.521 887 2HG ARG 116 1HG ARG 116 -25.509 0.292 0.292 888 1HD ARG 116 2HD ARG 116 -25.554 2.838 2.838 889 2HD ARG 116 1HD ARG 116 -23.996 2.709 2.709 890 HE ARG 116 HE ARG 116 -25.874 1.789 1.789 891 1HH1 ARG 116 1HH2 ARG 116 -25.238 4.749 4.749 892 2HH1 ARG 116 2HH2 ARG 116 -25.925 5.761 5.761 893 1HH2 ARG 116 1HH1 ARG 116 -26.782 3.111 3.111 894 2HH2 ARG 116 2HH1 ARG 116 -26.805 4.830 4.830 895 H ARG 117 HN ARG 117 -24.282 -1.811 -1.811 896 HA ARG 117 HA ARG 117 -22.786 -3.028 -3.028 897 1HB ARG 117 2HB ARG 117 -22.500 -5.082 -5.082 898 2HB ARG 117 1HB ARG 117 -24.000 -4.919 -4.919 899 1HG ARG 117 2HG ARG 117 -25.205 -4.280 -4.280 900 2HG ARG 117 1HG ARG 117 -23.736 -3.950 -3.950 901 1HD ARG 117 2HD ARG 117 -24.663 -6.017 -6.017 902 2HD ARG 117 1HD ARG 117 -23.190 -6.374 -6.374 903 HE ARG 117 HE ARG 117 -24.448 -7.533 -7.533 904 1HH1 ARG 117 1HH2 ARG 117 -26.546 -5.498 -5.498 905 2HH1 ARG 117 2HH2 ARG 117 -28.003 -6.166 -6.166 906 1HH2 ARG 117 1HH1 ARG 117 -26.360 -8.420 -8.420 907 2HH2 ARG 117 2HH1 ARG 117 -27.896 -7.826 -7.826 908 H LYS 118 HN LYS 118 -20.945 -1.901 -1.901 909 HA LYS 118 HA LYS 118 -19.819 -1.345 -1.345 910 1HB LYS 118 2HB LYS 118 -19.563 -0.210 -0.210 911 2HB LYS 118 1HB LYS 118 -18.036 -0.343 -0.343 912 1HG LYS 118 2HG LYS 118 -18.900 0.965 0.965 913 2HG LYS 118 1HG LYS 118 -20.497 1.013 1.013 914 1HD LYS 118 2HD LYS 118 -19.716 3.026 3.026 915 2HD LYS 118 1HD LYS 118 -19.079 2.016 2.016 916 1HE LYS 118 2HE LYS 118 -16.924 1.912 1.912 917 2HE LYS 118 1HE LYS 118 -17.544 2.772 2.772 918 1HZ LYS 118 3HZ LYS 118 -17.708 4.035 4.035 919 2HZ LYS 118 2HZ LYS 118 -16.235 4.044 4.044 920 3HZ LYS 118 1HZ LYS 118 -17.601 4.757 4.757 921 H ASN 119 HN ASN 119 -17.447 -1.610 -1.610 922 HA ASN 119 HA ASN 119 -16.480 -4.071 -4.071 923 1HB ASN 119 2HB ASN 119 -16.604 -3.400 -3.400 924 2HB ASN 119 1HB ASN 119 -15.345 -4.474 -4.474 925 1HD2 ASN 119 2HD2 ASN 119 -19.259 -5.664 -5.664 926 2HD2 ASN 119 1HD2 ASN 119 -18.850 -3.986 -3.986 927 H LEU 120 HN LEU 120 -14.201 -4.287 -4.287 928 HA LEU 120 HA LEU 120 -12.646 -1.854 -1.854 929 1HB LEU 120 2HB LEU 120 -13.480 -2.692 -2.692 930 2HB LEU 120 1HB LEU 120 -11.781 -3.112 -3.112 931 HG LEU 120 HG LEU 120 -11.739 -0.561 -0.561 932 1HD1 LEU 120 3HD1 LEU 120 -14.289 -0.723 -0.723 933 2HD1 LEU 120 2HD1 LEU 120 -13.450 -0.129 -0.129 934 3HD1 LEU 120 1HD1 LEU 120 -13.348 0.766 0.766 935 1HD2 LEU 120 1HD2 LEU 120 -11.063 -1.951 -1.951 936 2HD2 LEU 120 3HD2 LEU 120 -10.174 -0.704 -0.704 937 3HD2 LEU 120 2HD2 LEU 120 -11.429 -0.249 -0.249 938 HA PRO 121 HA PRO 121 -10.432 -5.407 -5.407 939 1HB PRO 121 2HB PRO 121 -8.921 -3.064 -3.064 940 2HB PRO 121 1HB PRO 121 -9.530 -4.484 -4.484 941 1HG PRO 121 2HG PRO 121 -10.756 -2.137 -2.137 942 2HG PRO 121 1HG PRO 121 -11.690 -3.641 -3.641 943 1HD PRO 121 2HD PRO 121 -11.213 -1.554 -1.554 944 2HD PRO 121 1HD PRO 121 -12.672 -2.510 -2.510 945 H ILE 122 HN ILE 122 -8.754 -6.436 -6.436 946 HA ILE 122 HA ILE 122 -7.020 -4.954 -4.954 947 HB ILE 122 HB ILE 122 -7.220 -7.948 -7.948 948 1HG1 ILE 122 2HG1 ILE 122 -9.400 -6.841 -6.841 949 2HG1 ILE 122 1HG1 ILE 122 -8.782 -7.994 -7.994 950 1HG2 ILE 122 3HG2 ILE 122 -5.679 -6.130 -6.130 951 2HG2 ILE 122 2HG2 ILE 122 -6.491 -7.429 -7.429 952 3HG2 ILE 122 1HG2 ILE 122 -5.373 -7.811 -7.811 953 1HD1 ILE 122 1HD1 ILE 122 -7.779 -5.397 -5.397 954 2HD1 ILE 122 3HD1 ILE 122 -9.529 -5.321 -5.321 955 3HD1 ILE 122 2HD1 ILE 122 -8.824 -6.448 -6.448 956 H GLU 123 HN GLU 123 -4.774 -5.043 -5.043 957 HA GLU 123 HA GLU 123 -3.602 -6.364 -6.364 958 1HB GLU 123 2HB GLU 123 -3.537 -3.440 -3.440 959 2HB GLU 123 1HB GLU 123 -2.152 -4.181 -4.181 960 1HG GLU 123 2HG GLU 123 -3.560 -4.929 -4.929 961 2HG GLU 123 1HG GLU 123 -4.981 -4.262 -4.262 962 H TYR 124 HN TYR 124 -1.277 -6.593 -6.593 963 HA TYR 124 HA TYR 124 -0.294 -6.593 -6.593 964 1HB TYR 124 2HB TYR 124 0.422 -8.561 -8.561 965 2HB TYR 124 1HB TYR 124 0.976 -8.607 -8.607 966 HD1 TYR 124 1HD TYR 124 -2.157 -8.677 -8.677 967 HD2 TYR 124 2HD TYR 124 -0.191 -9.881 -9.881 968 HE1 TYR 124 1HE TYR 124 -4.104 -10.055 -10.055 969 HE2 TYR 124 2HE TYR 124 -2.132 -11.263 -11.263 970 HH TYR 124 HH TYR 124 -4.412 -12.236 -12.236 971 H ASN 125 HN ASN 125 1.693 -5.763 -5.763 972 HA ASN 125 HA ASN 125 3.231 -4.781 -4.781 973 1HB ASN 125 2HB ASN 125 1.973 -3.138 -3.138 974 2HB ASN 125 1HB ASN 125 3.470 -3.368 -3.368 975 1HD2 ASN 125 2HD2 ASN 125 4.654 -0.638 -0.638 976 2HD2 ASN 125 1HD2 ASN 125 4.102 -1.244 -1.244 977 H LEU 126 HN LEU 126 4.377 -6.808 -6.808 978 HA LEU 126 HA LEU 126 5.757 -7.790 -7.790 979 1HB LEU 126 2HB LEU 126 6.312 -7.874 -7.874 980 2HB LEU 126 1HB LEU 126 7.399 -8.638 -8.638 981 HG LEU 126 HG LEU 126 5.561 -10.051 -10.051 982 1HD1 LEU 126 2HD1 LEU 126 7.063 -10.811 -10.811 983 2HD1 LEU 126 1HD1 LEU 126 5.902 -10.217 -10.217 984 3HD1 LEU 126 3HD1 LEU 126 5.455 -11.531 -11.531 985 1HD2 LEU 126 3HD2 LEU 126 3.973 -8.685 -8.685 986 2HD2 LEU 126 2HD2 LEU 126 3.645 -8.688 -8.688 987 3HD2 LEU 126 1HD2 LEU 126 3.478 -10.176 -10.176 988 1H ALA 1 3HN ALA 1 42.296 -4.173 -4.173 989 2H ALA 1 2HN ALA 1 43.016 -5.316 -5.316 990 3H ALA 1 1HN ALA 1 41.771 -4.282 -4.282 991 HA ALA 1 HA ALA 1 40.162 -5.327 -5.327 992 1HB ALA 1 1HB ALA 1 41.663 -6.663 -6.663 993 2HB ALA 1 3HB ALA 1 41.426 -7.845 -7.845 994 3HB ALA 1 2HB ALA 1 40.032 -7.063 -7.063 995 H GLN 2 HN GLN 2 40.018 -5.247 -5.247 996 HA GLN 2 HA GLN 2 41.416 -7.338 -7.338 997 1HB GLN 2 2HB GLN 2 41.627 -4.414 -4.414 998 2HB GLN 2 1HB GLN 2 41.396 -5.370 -5.370 999 1HG GLN 2 2HG GLN 2 43.583 -5.786 -5.786 1000 2HG GLN 2 1HG GLN 2 43.758 -4.951 -4.951 1001 1HE2 GLN 2 2HE2 GLN 2 43.439 -7.962 -7.962 1002 2HE2 GLN 2 1HE2 GLN 2 42.904 -6.319 -6.319 1003 H SER 3 HN SER 3 40.069 -8.467 -8.467 1004 HA SER 3 HA SER 3 38.258 -9.073 -9.073 1005 1HB SER 3 2HB SER 3 38.507 -6.235 -6.235 1006 2HB SER 3 1HB SER 3 36.807 -6.704 -6.704 1007 HG SER 3 HG SER 3 38.871 -7.563 -7.563 1008 H VAL 4 HN VAL 4 35.693 -8.596 -8.596 1009 HA VAL 4 HA VAL 4 34.884 -8.645 -8.645 1010 HB VAL 4 HB VAL 4 32.833 -9.848 -9.848 1011 1HG1 VAL 4 1HG1 VAL 4 35.254 -10.791 -10.791 1012 2HG1 VAL 4 3HG1 VAL 4 35.046 -11.629 -11.629 1013 3HG1 VAL 4 2HG1 VAL 4 33.823 -11.784 -11.784 1014 1HG2 VAL 4 1HG2 VAL 4 33.809 -9.107 -9.107 1015 2HG2 VAL 4 3HG2 VAL 4 32.569 -10.326 -10.326 1016 3HG2 VAL 4 2HG2 VAL 4 34.254 -10.809 -10.809 1017 HA PRO 5 HA PRO 5 32.389 -5.053 -5.053 1018 1HB PRO 5 2HB PRO 5 30.353 -5.522 -5.522 1019 2HB PRO 5 1HB PRO 5 31.987 -5.112 -5.112 1020 1HG PRO 5 2HG PRO 5 30.670 -7.795 -7.795 1021 2HG PRO 5 1HG PRO 5 31.683 -7.132 -7.132 1022 1HD PRO 5 2HD PRO 5 32.638 -8.853 -8.853 1023 2HD PRO 5 1HD PRO 5 33.643 -7.586 -7.586 1024 HA PRO 6 HA PRO 6 29.230 -5.729 -5.729 1025 1HB PRO 6 2HB PRO 6 27.607 -3.664 -3.664 1026 2HB PRO 6 1HB PRO 6 28.172 -3.720 -3.720 1027 1HG PRO 6 2HG PRO 6 29.283 -2.063 -2.063 1028 2HG PRO 6 1HG PRO 6 30.259 -2.876 -2.876 1029 1HD PRO 6 2HD PRO 6 29.982 -3.498 -3.498 1030 2HD PRO 6 1HD PRO 6 31.420 -3.576 -3.576 1031 H GLY 7 HN GLY 7 27.928 -7.449 -7.449 1032 1HA GLY 7 2HA GLY 7 26.699 -8.551 -8.551 1033 2HA GLY 7 1HA GLY 7 26.238 -8.891 -8.891 1034 H ASP 8 HN ASP 8 24.663 -8.485 -8.485 1035 HA ASP 8 HA ASP 8 23.258 -6.058 -6.058 1036 1HB ASP 8 2HB ASP 8 22.365 -8.758 -8.758 1037 2HB ASP 8 1HB ASP 8 21.517 -7.243 -7.243 1038 H ILE 9 HN ILE 9 22.103 -5.321 -5.321 1039 HA ILE 9 HA ILE 9 21.084 -7.020 -7.020 1040 HB ILE 9 HB ILE 9 20.082 -4.973 -4.973 1041 1HG1 ILE 9 2HG1 ILE 9 21.369 -3.237 -3.237 1042 2HG1 ILE 9 1HG1 ILE 9 19.926 -4.088 -4.088 1043 1HG2 ILE 9 3HG2 ILE 9 22.939 -5.159 -5.159 1044 2HG2 ILE 9 2HG2 ILE 9 22.382 -3.638 -3.638 1045 3HG2 ILE 9 1HG2 ILE 9 22.187 -5.143 -5.143 1046 1HD1 ILE 9 1HD1 ILE 9 19.649 -2.804 -2.804 1047 2HD1 ILE 9 3HD1 ILE 9 19.944 -1.694 -1.694 1048 3HD1 ILE 9 2HD1 ILE 9 18.571 -2.799 -2.799 1049 H ASN 10 HN ASN 10 18.991 -7.616 -7.616 1050 HA ASN 10 HA ASN 10 17.166 -7.591 -7.591 1051 1HB ASN 10 2HB ASN 10 17.483 -9.167 -9.167 1052 2HB ASN 10 1HB ASN 10 15.815 -8.881 -8.881 1053 1HD2 ASN 10 2HD2 ASN 10 18.262 -11.244 -11.244 1054 2HD2 ASN 10 1HD2 ASN 10 18.907 -10.159 -10.159 1055 H THR 11 HN THR 11 15.229 -6.546 -6.546 1056 HA THR 11 HA THR 11 14.423 -4.939 -4.939 1057 HB THR 11 HB THR 11 13.686 -3.360 -3.360 1058 HG1 THR 11 1HG THR 11 15.722 -3.181 -3.181 1059 1HG2 THR 11 1HG2 THR 11 14.820 -2.696 -2.696 1060 2HG2 THR 11 3HG2 THR 11 16.349 -3.070 -3.070 1061 3HG2 THR 11 2HG2 THR 11 15.303 -1.806 -1.806 1062 H GLN 12 HN GLN 12 12.208 -4.491 -4.491 1063 HA GLN 12 HA GLN 12 10.417 -5.756 -5.756 1064 1HB GLN 12 2HB GLN 12 10.491 -6.384 -6.384 1065 2HB GLN 12 1HB GLN 12 9.124 -6.771 -6.771 1066 1HG GLN 12 2HG GLN 12 11.907 -7.748 -7.748 1067 2HG GLN 12 1HG GLN 12 10.762 -8.632 -8.632 1068 1HE2 GLN 12 2HE2 GLN 12 10.718 -9.516 -9.516 1069 2HE2 GLN 12 1HE2 GLN 12 12.045 -9.097 -9.097 1070 HA PRO 13 HA PRO 13 8.888 -4.985 -4.985 1071 1HB PRO 13 2HB PRO 13 8.930 -2.654 -2.654 1072 2HB PRO 13 1HB PRO 13 7.461 -3.420 -3.420 1073 1HG PRO 13 2HG PRO 13 9.027 -1.140 -1.140 1074 2HG PRO 13 1HG PRO 13 7.270 -1.341 -1.341 1075 1HD PRO 13 2HD PRO 13 8.562 -1.754 -1.754 1076 2HD PRO 13 1HD PRO 13 7.178 -2.759 -2.759 1077 H SER 14 HN SER 14 10.393 -5.248 -5.248 1078 HA SER 14 HA SER 14 13.100 -4.787 -4.787 1079 1HB SER 14 2HB SER 14 13.425 -5.636 -5.636 1080 2HB SER 14 1HB SER 14 12.884 -6.741 -6.741 1081 HG SER 14 HG SER 14 10.902 -6.755 -6.755 1082 H GLN 15 HN GLN 15 10.985 -3.416 -3.416 1083 HA GLN 15 HA GLN 15 12.398 -0.933 -0.933 1084 1HB GLN 15 2HB GLN 15 13.815 -2.525 -2.525 1085 2HB GLN 15 1HB GLN 15 12.520 -2.392 -2.392 1086 1HG GLN 15 2HG GLN 15 13.013 0.224 0.224 1087 2HG GLN 15 1HG GLN 15 14.619 -0.496 -0.496 1088 1HE2 GLN 15 2HE2 GLN 15 14.507 -1.599 -1.599 1089 2HE2 GLN 15 1HE2 GLN 15 14.812 -2.264 -2.264 1090 H LYS 16 HN LYS 16 9.752 -1.540 -1.540 1091 HA LYS 16 HA LYS 16 8.451 0.195 0.195 1092 1HB LYS 16 2HB LYS 16 8.487 -2.433 -2.433 1093 2HB LYS 16 1HB LYS 16 6.946 -2.318 -2.318 1094 1HG LYS 16 2HG LYS 16 6.025 -1.040 -1.040 1095 2HG LYS 16 1HG LYS 16 7.505 -0.114 -0.114 1096 1HD LYS 16 2HD LYS 16 7.514 -1.229 -1.229 1097 2HD LYS 16 1HD LYS 16 8.275 -2.488 -2.488 1098 1HE LYS 16 2HE LYS 16 5.725 -3.116 -3.116 1099 2HE LYS 16 1HE LYS 16 5.538 -2.344 -2.344 1100 1HZ LYS 16 2HZ LYS 16 7.682 -3.973 -3.973 1101 2HZ LYS 16 1HZ LYS 16 6.676 -4.893 -4.893 1102 3HZ LYS 16 3HZ LYS 16 6.099 -4.321 -4.321 1103 H ILE 17 HN ILE 17 7.466 1.431 1.431 1104 HA ILE 17 HA ILE 17 5.723 0.127 0.127 1105 HB ILE 17 HB ILE 17 7.695 0.920 0.920 1106 1HG1 ILE 17 2HG1 ILE 17 5.479 2.881 2.881 1107 2HG1 ILE 17 1HG1 ILE 17 5.316 1.164 1.164 1108 1HG2 ILE 17 1HG2 ILE 17 7.135 3.431 3.431 1109 2HG2 ILE 17 3HG2 ILE 17 7.909 3.525 3.525 1110 3HG2 ILE 17 2HG2 ILE 17 8.667 2.605 2.605 1111 1HD1 ILE 17 1HD1 ILE 17 7.465 2.960 2.960 1112 2HD1 ILE 17 3HD1 ILE 17 5.997 2.481 2.481 1113 3HD1 ILE 17 2HD1 ILE 17 7.197 1.266 1.266 1114 H VAL 18 HN VAL 18 3.760 1.124 1.124 1115 HA VAL 18 HA VAL 18 3.214 3.640 3.640 1116 HB VAL 18 HB VAL 18 2.509 1.908 1.908 1117 1HG1 VAL 18 1HG1 VAL 18 2.051 0.324 0.324 1118 2HG1 VAL 18 3HG1 VAL 18 0.402 0.890 0.890 1119 3HG1 VAL 18 2HG1 VAL 18 1.274 0.072 0.072 1120 1HG2 VAL 18 2HG2 VAL 18 0.875 3.953 3.953 1121 2HG2 VAL 18 1HG2 VAL 18 0.792 3.202 3.202 1122 3HG2 VAL 18 3HG2 VAL 18 -0.175 2.561 2.561 1123 H PHE 19 HN PHE 19 2.859 4.838 4.838 1124 HA PHE 19 HA PHE 19 1.656 4.050 4.050 1125 1HB PHE 19 2HB PHE 19 1.499 6.784 6.784 1126 2HB PHE 19 1HB PHE 19 1.212 6.432 6.432 1127 HD1 PHE 19 2HD PHE 19 3.493 4.403 4.403 1128 HD2 PHE 19 1HD PHE 19 3.286 8.315 8.315 1129 HE1 PHE 19 2HE PHE 19 5.887 4.725 4.725 1130 HE2 PHE 19 1HE PHE 19 5.679 8.645 8.645 1131 HZ PHE 19 HZ PHE 19 6.983 6.848 6.848 1132 H ASN 20 HN ASN 20 -0.329 3.363 3.363 1133 HA ASN 20 HA ASN 20 -2.449 3.678 3.678 1134 1HB ASN 20 2HB ASN 20 -2.076 2.037 2.037 1135 2HB ASN 20 1HB ASN 20 -3.700 2.289 2.289 1136 1HD2 ASN 20 2HD2 ASN 20 -1.072 -0.170 -0.170 1137 2HD2 ASN 20 1HD2 ASN 20 -0.591 0.852 0.852 1138 H ALA 21 HN ALA 21 -4.117 5.036 5.036 1139 HA ALA 21 HA ALA 21 -4.163 7.227 7.227 1140 1HB ALA 21 1HB ALA 21 -5.940 6.059 6.059 1141 2HB ALA 21 3HB ALA 21 -6.780 6.986 6.986 1142 3HB ALA 21 2HB ALA 21 -5.506 7.743 7.743 1143 HA PRO 22 HA PRO 22 -6.311 8.446 8.446 1144 1HB PRO 22 2HB PRO 22 -7.236 9.785 9.785 1145 2HB PRO 22 1HB PRO 22 -8.253 8.615 8.615 1146 1HG PRO 22 2HG PRO 22 -6.759 8.312 8.312 1147 2HG PRO 22 1HG PRO 22 -8.386 7.750 7.750 1148 1HD PRO 22 2HD PRO 22 -6.112 6.173 6.173 1149 2HD PRO 22 1HD PRO 22 -7.596 5.827 5.827 1150 H TYR 23 HN TYR 23 -5.371 10.557 10.557 1151 HA TYR 23 HA TYR 23 -2.844 10.411 10.411 1152 1HB TYR 23 2HB TYR 23 -3.652 12.155 12.155 1153 2HB TYR 23 1HB TYR 23 -2.105 12.259 12.259 1154 HD1 TYR 23 2HD TYR 23 -1.397 9.460 9.460 1155 HD2 TYR 23 1HD TYR 23 -3.184 11.356 11.356 1156 HE1 TYR 23 2HE TYR 23 -0.485 7.711 7.711 1157 HE2 TYR 23 1HE TYR 23 -2.278 9.610 9.610 1158 HH TYR 23 HH TYR 23 0.091 7.792 7.792 1159 H ASP 24 HN ASP 24 -5.524 11.122 11.122 1160 HA ASP 24 HA ASP 24 -5.137 13.935 13.935 1161 1HB ASP 24 2HB ASP 24 -7.399 12.685 12.685 1162 2HB ASP 24 1HB ASP 24 -7.461 12.403 12.403 1163 H ASP 25 HN ASP 25 -3.877 11.202 11.202 1164 HA ASP 25 HA ASP 25 -3.830 12.188 12.188 1165 1HB ASP 25 2HB ASP 25 -4.191 9.992 9.992 1166 2HB ASP 25 1HB ASP 25 -5.531 10.369 10.369 1167 H LYS 26 HN LYS 26 -2.151 10.798 10.798 1168 HA LYS 26 HA LYS 26 0.266 10.697 10.697 1169 1HB LYS 26 2HB LYS 26 0.026 10.878 10.878 1170 2HB LYS 26 1HB LYS 26 1.514 10.978 10.978 1171 1HG LYS 26 2HG LYS 26 1.246 13.178 13.178 1172 2HG LYS 26 1HG LYS 26 -0.105 12.939 12.939 1173 1HD LYS 26 2HD LYS 26 -1.614 12.711 12.711 1174 2HD LYS 26 1HD LYS 26 -0.250 13.062 13.062 1175 1HE LYS 26 2HE LYS 26 0.019 15.212 15.212 1176 2HE LYS 26 1HE LYS 26 -1.593 14.869 14.869 1177 1HZ LYS 26 2HZ LYS 26 -2.171 14.660 14.660 1178 2HZ LYS 26 1HZ LYS 26 -0.777 15.593 15.593 1179 3HZ LYS 26 3HZ LYS 26 -2.058 16.190 16.190 1180 H HIS 27 HN HIS 27 0.808 8.733 8.733 1181 HA HIS 27 HA HIS 27 0.610 6.505 6.505 1182 1HB HIS 27 2HB HIS 27 0.320 5.164 5.164 1183 2HB HIS 27 1HB HIS 27 -1.045 5.752 5.752 1184 HD1 HIS 27 1HD HIS 27 -1.599 8.475 8.475 1185 HD2 HIS 27 2HD HIS 27 -0.019 5.740 5.740 1186 HE1 HIS 27 1HE HIS 27 -2.139 9.359 9.359 1187 H THR 28 HN THR 28 2.227 4.936 4.936 1188 HA THR 28 HA THR 28 4.591 5.741 5.741 1189 HB THR 28 HB THR 28 5.563 4.082 4.082 1190 HG1 THR 28 1HG THR 28 3.744 3.954 3.954 1191 1HG2 THR 28 3HG2 THR 28 5.827 6.767 6.767 1192 2HG2 THR 28 2HG2 THR 28 5.426 6.753 6.753 1193 3HG2 THR 28 1HG2 THR 28 6.816 5.841 5.841 1194 H TYR 29 HN TYR 29 5.371 4.364 4.364 1195 HA TYR 29 HA TYR 29 4.129 1.738 1.738 1196 1HB TYR 29 2HB TYR 29 5.942 3.283 3.283 1197 2HB TYR 29 1HB TYR 29 5.299 1.682 1.682 1198 HD1 TYR 29 1HD TYR 29 4.315 5.197 5.197 1199 HD2 TYR 29 2HD TYR 29 3.140 1.421 1.421 1200 HE1 TYR 29 1HE TYR 29 2.284 6.223 6.223 1201 HE2 TYR 29 2HE TYR 29 1.107 2.439 2.439 1202 HH TYR 29 HH TYR 29 -0.331 4.659 4.659 1203 H HIS 30 HN HIS 30 5.064 -0.001 -0.001 1204 HA HIS 30 HA HIS 30 7.760 0.078 0.078 1205 1HB HIS 30 2HB HIS 30 5.563 -1.965 -1.965 1206 2HB HIS 30 1HB HIS 30 7.200 -2.422 -2.422 1207 HD1 HIS 30 1HD HIS 30 4.640 -2.303 -2.303 1208 HD2 HIS 30 2HD HIS 30 7.708 0.486 0.486 1209 HE1 HIS 30 1HE HIS 30 4.682 -1.075 -1.075 1210 H ILE 31 HN ILE 31 9.560 -0.719 -0.719 1211 HA ILE 31 HA ILE 31 9.305 -2.264 -2.264 1212 HB ILE 31 HB ILE 31 11.638 -0.466 -0.466 1213 1HG1 ILE 31 2HG1 ILE 31 9.248 0.266 0.266 1214 2HG1 ILE 31 1HG1 ILE 31 9.467 0.817 0.817 1215 1HG2 ILE 31 1HG2 ILE 31 10.691 -2.054 -2.054 1216 2HG2 ILE 31 3HG2 ILE 31 11.541 -0.542 -0.542 1217 3HG2 ILE 31 2HG2 ILE 31 12.326 -1.813 -1.813 1218 1HD1 ILE 31 2HD1 ILE 31 11.733 1.313 1.313 1219 2HD1 ILE 31 1HD1 ILE 31 10.251 2.195 2.195 1220 3HD1 ILE 31 3HD1 ILE 31 10.997 2.351 2.351 1221 H LYS 32 HN LYS 32 10.821 -3.925 -3.925 1222 HA LYS 32 HA LYS 32 12.229 -4.782 -4.782 1223 1HB LYS 32 2HB LYS 32 10.281 -6.164 -6.164 1224 2HB LYS 32 1HB LYS 32 11.536 -6.680 -6.680 1225 1HG LYS 32 2HG LYS 32 12.016 -8.271 -8.271 1226 2HG LYS 32 1HG LYS 32 12.699 -7.001 -7.001 1227 1HD LYS 32 2HD LYS 32 10.713 -6.797 -6.797 1228 2HD LYS 32 1HD LYS 32 9.780 -7.716 -7.716 1229 1HE LYS 32 2HE LYS 32 10.244 -9.055 -9.055 1230 2HE LYS 32 1HE LYS 32 11.038 -9.731 -9.731 1231 1HZ LYS 32 3HZ LYS 32 12.473 -7.906 -7.906 1232 2HZ LYS 32 2HZ LYS 32 12.370 -9.562 -9.562 1233 3HZ LYS 32 1HZ LYS 32 13.112 -9.027 -9.027 1234 H ILE 33 HN ILE 33 14.364 -4.879 -4.879 1235 HA ILE 33 HA ILE 33 15.717 -5.069 -5.069 1236 HB ILE 33 HB ILE 33 16.676 -3.520 -3.520 1237 1HG1 ILE 33 2HG1 ILE 33 15.985 -2.326 -2.326 1238 2HG1 ILE 33 1HG1 ILE 33 14.719 -2.623 -2.623 1239 1HG2 ILE 33 1HG2 ILE 33 17.922 -4.249 -4.249 1240 2HG2 ILE 33 3HG2 ILE 33 18.284 -2.670 -2.670 1241 3HG2 ILE 33 2HG2 ILE 33 18.641 -4.139 -4.139 1242 1HD1 ILE 33 3HD1 ILE 33 17.181 -1.069 -1.069 1243 2HD1 ILE 33 2HD1 ILE 33 15.779 -0.309 -0.309 1244 3HD1 ILE 33 1HD1 ILE 33 15.619 -1.092 -1.092 1245 H THR 34 HN THR 34 17.705 -6.233 -6.233 1246 HA THR 34 HA THR 34 18.457 -7.689 -7.689 1247 HB THR 34 HB THR 34 17.585 -9.078 -9.078 1248 HG1 THR 34 1HG THR 34 15.802 -9.405 -9.405 1249 1HG2 THR 34 1HG2 THR 34 19.518 -10.216 -10.216 1250 2HG2 THR 34 3HG2 THR 34 18.704 -10.292 -10.292 1251 3HG2 THR 34 2HG2 THR 34 18.044 -11.169 -11.169 1252 H ASN 35 HN ASN 35 20.502 -8.755 -8.755 1253 HA ASN 35 HA ASN 35 22.264 -7.469 -7.469 1254 1HB ASN 35 2HB ASN 35 22.547 -7.622 -7.622 1255 2HB ASN 35 1HB ASN 35 23.383 -9.105 -9.105 1256 1HD2 ASN 35 2HD2 ASN 35 25.779 -7.193 -7.193 1257 2HD2 ASN 35 1HD2 ASN 35 24.635 -8.461 -8.461 1258 H ALA 36 HN ALA 36 21.466 -8.930 -8.930 1259 HA ALA 36 HA ALA 36 21.678 -11.685 -11.685 1260 1HB ALA 36 1HB ALA 36 20.914 -9.846 -9.846 1261 2HB ALA 36 3HB ALA 36 22.451 -10.360 -10.360 1262 3HB ALA 36 2HB ALA 36 21.187 -11.547 -11.547 1263 H GLY 37 HN GLY 37 24.186 -9.293 -9.293 1264 1HA GLY 37 2HA GLY 37 26.226 -10.875 -10.875 1265 2HA GLY 37 1HA GLY 37 26.472 -9.453 -9.453 1266 H GLY 38 HN GLY 38 28.223 -10.345 -10.345 1267 1HA GLY 38 2HA GLY 38 27.458 -12.417 -12.417 1268 2HA GLY 38 1HA GLY 38 28.979 -12.531 -12.531 1269 H ARG 39 HN ARG 39 28.380 -9.303 -9.303 1270 HA ARG 39 HA ARG 39 29.633 -9.318 -9.318 1271 1HB ARG 39 2HB ARG 39 30.631 -7.690 -7.690 1272 2HB ARG 39 1HB ARG 39 31.246 -7.605 -7.605 1273 1HG ARG 39 2HG ARG 39 31.261 -10.281 -10.281 1274 2HG ARG 39 1HG ARG 39 32.344 -9.095 -9.095 1275 1HD ARG 39 2HD ARG 39 32.399 -9.076 -9.076 1276 2HD ARG 39 1HD ARG 39 32.891 -10.619 -10.619 1277 HE ARG 39 HE ARG 39 34.249 -8.669 -8.669 1278 1HH1 ARG 39 1HH2 ARG 39 34.039 -9.754 -9.754 1279 2HH1 ARG 39 2HH2 ARG 39 35.664 -9.301 -9.301 1280 1HH2 ARG 39 1HH1 ARG 39 36.392 -8.067 -8.067 1281 2HH2 ARG 39 2HH1 ARG 39 37.002 -8.342 -8.342 1282 H ARG 40 HN ARG 40 29.765 -6.958 -6.958 1283 HA ARG 40 HA ARG 40 27.112 -5.934 -5.934 1284 1HB ARG 40 2HB ARG 40 29.674 -4.745 -4.745 1285 2HB ARG 40 1HB ARG 40 28.057 -4.154 -4.154 1286 1HG ARG 40 2HG ARG 40 27.501 -6.163 -6.163 1287 2HG ARG 40 1HG ARG 40 28.997 -6.940 -6.940 1288 1HD ARG 40 2HD ARG 40 28.820 -4.512 -4.512 1289 2HD ARG 40 1HD ARG 40 29.103 -6.162 -6.162 1290 HE ARG 40 HE ARG 40 31.066 -5.682 -5.682 1291 1HH1 ARG 40 1HH2 ARG 40 30.025 -4.198 -4.198 1292 2HH1 ARG 40 2HH2 ARG 40 31.605 -3.628 -3.628 1293 1HH2 ARG 40 1HH1 ARG 40 33.152 -4.936 -4.936 1294 2HH2 ARG 40 2HH1 ARG 40 33.384 -4.048 -4.048 1295 H ILE 41 HN ILE 41 26.437 -3.783 -3.783 1296 HA ILE 41 HA ILE 41 28.114 -2.369 -2.369 1297 HB ILE 41 HB ILE 41 26.403 -2.327 -2.327 1298 1HG1 ILE 41 2HG1 ILE 41 24.935 -4.253 -4.253 1299 2HG1 ILE 41 1HG1 ILE 41 24.414 -2.635 -2.635 1300 1HG2 ILE 41 2HG2 ILE 41 28.199 -4.202 -4.202 1301 2HG2 ILE 41 1HG2 ILE 41 26.790 -5.229 -5.229 1302 3HG2 ILE 41 3HG2 ILE 41 26.959 -4.340 -4.340 1303 1HD1 ILE 41 2HD1 ILE 41 24.916 -4.428 -4.428 1304 2HD1 ILE 41 1HD1 ILE 41 23.594 -4.917 -4.917 1305 3HD1 ILE 41 3HD1 ILE 41 23.574 -3.325 -3.325 1306 H GLY 42 HN GLY 42 27.797 -0.223 -0.223 1307 1HA GLY 42 2HA GLY 42 25.773 0.826 0.826 1308 2HA GLY 42 1HA GLY 42 27.099 1.732 1.732 1309 H TRP 43 HN TRP 43 23.805 1.227 1.227 1310 HA TRP 43 HA TRP 43 23.591 2.149 2.149 1311 1HB TRP 43 2HB TRP 43 21.254 1.368 1.368 1312 2HB TRP 43 1HB TRP 43 22.400 0.074 0.074 1313 HD1 TRP 43 1HD TRP 43 22.524 -0.818 -0.818 1314 HE1 TRP 43 1HE TRP 43 20.791 -0.740 -0.740 1315 HE3 TRP 43 3HE TRP 43 19.400 2.759 2.759 1316 HZ2 TRP 43 2HZ TRP 43 18.413 0.653 0.653 1317 HZ3 TRP 43 3HZ TRP 43 17.419 3.407 3.407 1318 HH2 TRP 43 2HH TRP 43 16.937 2.375 2.375 1319 H ALA 44 HN ALA 44 21.913 3.677 3.677 1320 HA ALA 44 HA ALA 44 20.867 5.356 5.356 1321 1HB ALA 44 3HB ALA 44 23.326 6.053 6.053 1322 2HB ALA 44 2HB ALA 44 22.387 6.883 6.883 1323 3HB ALA 44 1HB ALA 44 22.103 7.234 7.234 1324 H ILE 45 HN ILE 45 19.101 6.579 6.579 1325 HA ILE 45 HA ILE 45 18.261 6.065 6.065 1326 HB ILE 45 HB ILE 45 16.382 6.613 6.613 1327 1HG1 ILE 45 2HG1 ILE 45 17.746 4.570 4.570 1328 2HG1 ILE 45 1HG1 ILE 45 16.031 4.234 4.234 1329 1HG2 ILE 45 3HG2 ILE 45 16.135 6.078 6.078 1330 2HG2 ILE 45 2HG2 ILE 45 15.103 5.059 5.059 1331 3HG2 ILE 45 1HG2 ILE 45 14.989 6.814 6.814 1332 1HD1 ILE 45 2HD1 ILE 45 17.806 4.035 4.035 1333 2HD1 ILE 45 1HD1 ILE 45 17.878 2.764 2.764 1334 3HD1 ILE 45 3HD1 ILE 45 16.353 3.123 3.123 1335 H LYS 46 HN LYS 46 17.526 7.709 7.709 1336 HA LYS 46 HA LYS 46 17.139 10.346 10.346 1337 1HB LYS 46 2HB LYS 46 18.504 11.405 11.405 1338 2HB LYS 46 1HB LYS 46 19.453 10.387 10.387 1339 1HG LYS 46 2HG LYS 46 19.238 8.566 8.566 1340 2HG LYS 46 1HG LYS 46 18.584 9.798 9.798 1341 1HD LYS 46 2HD LYS 46 21.301 9.811 9.811 1342 2HD LYS 46 1HD LYS 46 20.958 9.527 9.527 1343 1HE LYS 46 2HE LYS 46 20.108 11.783 11.783 1344 2HE LYS 46 1HE LYS 46 20.324 12.072 12.072 1345 1HZ LYS 46 1HZ LYS 46 22.685 11.213 11.213 1346 2HZ LYS 46 3HZ LYS 46 22.116 12.765 12.765 1347 3HZ LYS 46 2HZ LYS 46 22.533 12.361 12.361 1348 H THR 47 HN THR 47 15.418 11.366 11.366 1349 HA THR 47 HA THR 47 14.200 10.251 10.251 1350 HB THR 47 HB THR 47 12.074 11.131 11.131 1351 HG1 THR 47 1HG THR 47 12.698 12.909 12.909 1352 1HG2 THR 47 3HG2 THR 47 13.049 8.899 8.899 1353 2HG2 THR 47 2HG2 THR 47 13.252 9.768 9.768 1354 3HG2 THR 47 1HG2 THR 47 11.647 9.600 9.600 1355 H THR 48 HN THR 48 13.393 11.624 11.624 1356 HA THR 48 HA THR 48 14.910 13.833 13.833 1357 HB THR 48 HB THR 48 13.141 14.322 14.322 1358 HG1 THR 48 1HG THR 48 11.714 12.275 12.275 1359 1HG2 THR 48 3HG2 THR 48 14.660 12.020 12.020 1360 2HG2 THR 48 2HG2 THR 48 13.032 11.453 11.453 1361 3HG2 THR 48 1HG2 THR 48 13.809 12.656 12.656 1362 H ASN 49 HN ASN 49 12.103 13.608 13.608 1363 HA ASN 49 HA ASN 49 12.223 16.520 16.520 1364 1HB ASN 49 2HB ASN 49 9.742 14.790 14.790 1365 2HB ASN 49 1HB ASN 49 9.808 16.523 16.523 1366 1HD2 ASN 49 2HD2 ASN 49 10.547 17.243 17.243 1367 2HD2 ASN 49 1HD2 ASN 49 11.202 17.592 17.592 1368 H MET 50 HN MET 50 13.273 16.710 16.710 1369 HA MET 50 HA MET 50 12.624 14.880 14.880 1370 1HB MET 50 2HB MET 50 14.938 16.619 16.619 1371 2HB MET 50 1HB MET 50 14.586 16.385 16.385 1372 1HG MET 50 2HG MET 50 14.566 13.908 13.908 1373 2HG MET 50 1HG MET 50 16.118 14.745 14.745 1374 1HE MET 50 1HE MET 50 13.467 12.876 12.876 1375 2HE MET 50 3HE MET 50 14.814 11.819 11.819 1376 3HE MET 50 2HE MET 50 14.467 12.173 12.173 1377 H ARG 51 HN ARG 51 10.876 17.103 17.103 1378 HA ARG 51 HA ARG 51 10.839 18.777 18.777 1379 1HB ARG 51 2HB ARG 51 9.141 19.358 19.358 1380 2HB ARG 51 1HB ARG 51 9.827 20.470 20.470 1381 1HG ARG 51 2HG ARG 51 11.979 20.325 20.325 1382 2HG ARG 51 1HG ARG 51 11.492 18.965 18.965 1383 1HD ARG 51 2HD ARG 51 10.475 20.290 20.290 1384 2HD ARG 51 1HD ARG 51 9.878 21.410 21.410 1385 HE ARG 51 HE ARG 51 12.618 21.776 21.776 1386 1HH1 ARG 51 1HH2 ARG 51 9.866 22.094 22.094 1387 2HH1 ARG 51 2HH2 ARG 51 10.568 23.370 23.370 1388 1HH2 ARG 51 1HH1 ARG 51 13.553 23.457 23.457 1389 2HH2 ARG 51 2HH1 ARG 51 12.663 24.145 24.145 1390 H ARG 52 HN ARG 52 8.759 16.861 16.861 1391 HA ARG 52 HA ARG 52 6.676 16.865 16.865 1392 1HB ARG 52 2HB ARG 52 6.530 15.983 15.983 1393 2HB ARG 52 1HB ARG 52 5.182 16.020 16.020 1394 1HG ARG 52 2HG ARG 52 4.812 18.175 18.175 1395 2HG ARG 52 1HG ARG 52 6.514 18.582 18.582 1396 1HD ARG 52 2HD ARG 52 6.921 17.723 17.723 1397 2HD ARG 52 1HD ARG 52 5.171 17.617 17.617 1398 HE ARG 52 HE ARG 52 5.899 20.205 20.205 1399 1HH1 ARG 52 1HH2 ARG 52 6.003 18.135 18.135 1400 2HH1 ARG 52 2HH2 ARG 52 5.967 19.444 19.444 1401 1HH2 ARG 52 1HH1 ARG 52 5.853 21.940 21.940 1402 2HH2 ARG 52 2HH1 ARG 52 5.884 21.608 21.608 1403 H LEU 53 HN LEU 53 8.657 14.722 14.722 1404 HA LEU 53 HA LEU 53 7.661 12.399 12.399 1405 1HB LEU 53 2HB LEU 53 9.581 12.429 12.429 1406 2HB LEU 53 1HB LEU 53 8.719 11.047 11.047 1407 HG LEU 53 HG LEU 53 7.193 13.365 13.365 1408 1HD1 LEU 53 1HD1 LEU 53 8.883 11.458 11.458 1409 2HD1 LEU 53 3HD1 LEU 53 7.234 11.637 11.637 1410 3HD1 LEU 53 2HD1 LEU 53 8.284 13.048 13.048 1411 1HD2 LEU 53 1HD2 LEU 53 6.371 11.150 11.150 1412 2HD2 LEU 53 3HD2 LEU 53 5.422 11.967 11.967 1413 3HD2 LEU 53 2HD2 LEU 53 6.389 10.553 10.553 1414 H SER 54 HN SER 54 9.062 10.956 10.956 1415 HA SER 54 HA SER 54 11.849 11.655 11.655 1416 1HB SER 54 2HB SER 54 9.798 12.189 12.189 1417 2HB SER 54 1HB SER 54 11.329 11.498 11.498 1418 HG SER 54 HG SER 54 11.083 13.913 13.913 1419 H VAL 55 HN VAL 55 12.788 10.120 10.120 1420 HA VAL 55 HA VAL 55 11.456 7.526 7.526 1421 HB VAL 55 HB VAL 55 14.326 7.623 7.623 1422 1HG1 VAL 55 3HG1 VAL 55 13.444 5.515 5.515 1423 2HG1 VAL 55 2HG1 VAL 55 12.147 5.563 5.563 1424 3HG1 VAL 55 1HG1 VAL 55 13.823 5.392 5.392 1425 1HG2 VAL 55 1HG2 VAL 55 12.935 8.940 8.940 1426 2HG2 VAL 55 3HG2 VAL 55 13.684 7.506 7.506 1427 3HG2 VAL 55 2HG2 VAL 55 11.973 7.489 7.489 1428 H ASP 56 HN ASP 56 12.341 6.045 6.045 1429 HA ASP 56 HA ASP 56 14.479 6.850 6.850 1430 1HB ASP 56 2HB ASP 56 11.628 7.174 7.174 1431 2HB ASP 56 1HB ASP 56 12.852 6.734 6.734 1432 HA PRO 57 HA PRO 57 15.767 6.018 6.018 1433 1HB PRO 57 2HB PRO 57 17.602 3.828 3.828 1434 2HB PRO 57 1HB PRO 57 17.302 4.626 4.626 1435 1HG PRO 57 2HG PRO 57 16.525 2.085 2.085 1436 2HG PRO 57 1HG PRO 57 15.620 3.169 3.169 1437 1HD PRO 57 2HD PRO 57 15.064 2.418 2.418 1438 2HD PRO 57 1HD PRO 57 13.934 2.593 2.593 1439 HA PRO 58 HA PRO 58 16.765 7.412 7.412 1440 1HB PRO 58 2HB PRO 58 19.014 8.749 8.749 1441 2HB PRO 58 1HB PRO 58 17.806 9.434 9.434 1442 1HG PRO 58 2HG PRO 58 17.656 9.854 9.854 1443 2HG PRO 58 1HG PRO 58 16.193 9.579 9.579 1444 1HD PRO 58 2HD PRO 58 17.635 7.714 7.714 1445 2HD PRO 58 1HD PRO 58 15.891 7.905 7.905 1446 H CYS 59 HN CYS 59 19.463 6.547 6.547 1447 HA CYS 59 HA CYS 59 20.587 4.909 4.909 1448 1HB CYS 59 2HB CYS 59 22.875 5.705 5.705 1449 2HB CYS 59 1HB CYS 59 21.878 6.923 6.923 1450 HG CYS 59 HG CYS 59 22.494 6.911 6.911 1451 H GLY 60 HN GLY 60 22.299 3.394 3.394 1452 1HA GLY 60 2HA GLY 60 22.582 2.836 2.836 1453 2HA GLY 60 1HA GLY 60 21.273 1.853 1.853 1454 H VAL 61 HN VAL 61 22.806 0.140 0.140 1455 HA VAL 61 HA VAL 61 24.511 -0.644 -0.644 1456 HB VAL 61 HB VAL 61 25.962 0.321 0.321 1457 1HG1 VAL 61 3HG1 VAL 61 24.297 -0.860 -0.860 1458 2HG1 VAL 61 2HG1 VAL 61 25.626 -2.019 -2.019 1459 3HG1 VAL 61 1HG1 VAL 61 25.935 -0.330 -0.330 1460 1HG2 VAL 61 1HG2 VAL 61 26.158 -2.361 -2.361 1461 2HG2 VAL 61 3HG2 VAL 61 27.344 -1.057 -1.057 1462 3HG2 VAL 61 2HG2 VAL 61 27.159 -2.126 -2.126 1463 H LEU 62 HN LEU 62 24.046 -2.629 -2.629 1464 HA LEU 62 HA LEU 62 22.506 -4.385 -4.385 1465 1HB LEU 62 2HB LEU 62 22.446 -3.799 -3.799 1466 2HB LEU 62 1HB LEU 62 22.507 -5.522 -5.522 1467 HG LEU 62 HG LEU 62 20.558 -4.828 -4.828 1468 1HD1 LEU 62 1HD1 LEU 62 20.908 -2.534 -2.534 1469 2HD1 LEU 62 3HD1 LEU 62 19.343 -3.268 -3.268 1470 3HD1 LEU 62 2HD1 LEU 62 19.748 -2.798 -2.798 1471 1HD2 LEU 62 3HD2 LEU 62 20.612 -6.532 -6.532 1472 2HD2 LEU 62 2HD2 LEU 62 19.049 -5.802 -5.802 1473 3HD2 LEU 62 1HD2 LEU 62 19.974 -5.254 -5.254 1474 H ASP 63 HN ASP 63 22.939 -6.709 -6.709 1475 HA ASP 63 HA ASP 63 25.817 -7.235 -7.235 1476 1HB ASP 63 2HB ASP 63 23.977 -8.926 -8.926 1477 2HB ASP 63 1HB ASP 63 25.726 -8.763 -8.763 1478 HA PRO 64 HA PRO 64 25.255 -10.463 -10.463 1479 1HB PRO 64 2HB PRO 64 26.255 -12.546 -12.546 1480 2HB PRO 64 1HB PRO 64 26.890 -12.034 -12.034 1481 1HG PRO 64 2HG PRO 64 28.143 -11.395 -11.395 1482 2HG PRO 64 1HG PRO 64 28.075 -10.265 -10.265 1483 1HD PRO 64 2HD PRO 64 26.486 -10.273 -10.273 1484 2HD PRO 64 1HD PRO 64 27.184 -8.903 -8.903 1485 H LYS 65 HN LYS 65 23.245 -11.092 -11.092 1486 HA LYS 65 HA LYS 65 21.322 -12.310 -12.310 1487 1HB LYS 65 2HB LYS 65 23.140 -13.918 -13.918 1488 2HB LYS 65 1HB LYS 65 21.474 -14.110 -14.110 1489 1HG LYS 65 2HG LYS 65 21.243 -14.275 -14.275 1490 2HG LYS 65 1HG LYS 65 22.798 -15.055 -15.055 1491 1HD LYS 65 2HD LYS 65 21.249 -16.800 -16.800 1492 2HD LYS 65 1HD LYS 65 21.564 -16.361 -16.361 1493 1HE LYS 65 2HE LYS 65 19.276 -16.467 -16.467 1494 2HE LYS 65 1HE LYS 65 19.514 -14.764 -14.764 1495 1HZ LYS 65 3HZ LYS 65 19.453 -15.704 -15.704 1496 2HZ LYS 65 2HZ LYS 65 18.561 -16.943 -16.943 1497 3HZ LYS 65 1HZ LYS 65 18.024 -15.344 -15.344 1498 H GLU 66 HN GLU 66 21.741 -9.933 -9.933 1499 HA GLU 66 HA GLU 66 19.798 -10.445 -10.445 1500 1HB GLU 66 2HB GLU 66 22.079 -8.628 -8.628 1501 2HB GLU 66 1HB GLU 66 20.641 -7.849 -7.849 1502 1HG GLU 66 2HG GLU 66 20.631 -9.975 -9.975 1503 2HG GLU 66 1HG GLU 66 22.351 -9.960 -9.960 1504 H LYS 67 HN LYS 67 17.943 -9.149 -9.149 1505 HA LYS 67 HA LYS 67 17.261 -7.570 -7.570 1506 1HB LYS 67 2HB LYS 67 14.819 -8.330 -8.330 1507 2HB LYS 67 1HB LYS 67 15.758 -9.228 -9.228 1508 1HG LYS 67 2HG LYS 67 14.928 -10.813 -10.813 1509 2HG LYS 67 1HG LYS 67 16.638 -10.609 -10.609 1510 1HD LYS 67 2HD LYS 67 16.116 -9.218 -9.218 1511 2HD LYS 67 1HD LYS 67 14.411 -9.160 -9.160 1512 1HE LYS 67 2HE LYS 67 14.601 -10.715 -10.715 1513 2HE LYS 67 1HE LYS 67 14.347 -11.651 -11.651 1514 1HZ LYS 67 2HZ LYS 67 16.910 -11.754 -11.754 1515 2HZ LYS 67 1HZ LYS 67 16.796 -11.357 -11.357 1516 3HZ LYS 67 3HZ LYS 67 16.064 -12.767 -12.767 1517 H VAL 68 HN VAL 68 16.356 -5.607 -5.607 1518 HA VAL 68 HA VAL 68 15.717 -4.798 -4.798 1519 HB VAL 68 HB VAL 68 17.878 -3.838 -3.838 1520 1HG1 VAL 68 2HG1 VAL 68 16.277 -2.554 -2.554 1521 2HG1 VAL 68 1HG1 VAL 68 17.943 -2.150 -2.150 1522 3HG1 VAL 68 3HG1 VAL 68 17.549 -3.760 -3.760 1523 1HG2 VAL 68 2HG2 VAL 68 16.195 -2.626 -2.626 1524 2HG2 VAL 68 1HG2 VAL 68 17.445 -1.633 -1.633 1525 3HG2 VAL 68 3HG2 VAL 68 15.815 -1.651 -1.651 1526 H LEU 69 HN LEU 69 14.174 -3.086 -3.086 1527 HA LEU 69 HA LEU 69 12.269 -3.036 -3.036 1528 1HB LEU 69 2HB LEU 69 11.891 -2.476 -2.476 1529 2HB LEU 69 1HB LEU 69 10.634 -2.287 -2.287 1530 HG LEU 69 HG LEU 69 12.021 -4.905 -4.905 1531 1HD1 LEU 69 2HD1 LEU 69 9.477 -3.763 -3.763 1532 2HD1 LEU 69 1HD1 LEU 69 9.860 -5.484 -5.484 1533 3HD1 LEU 69 3HD1 LEU 69 10.891 -4.343 -4.343 1534 1HD2 LEU 69 2HD2 LEU 69 10.231 -3.998 -3.998 1535 2HD2 LEU 69 1HD2 LEU 69 10.967 -5.586 -5.586 1536 3HD2 LEU 69 3HD2 LEU 69 9.428 -5.220 -5.220 1537 H MET 70 HN MET 70 11.513 -1.143 -1.143 1538 HA MET 70 HA MET 70 12.726 1.348 1.348 1539 1HB MET 70 2HB MET 70 12.649 0.208 0.208 1540 2HB MET 70 1HB MET 70 12.386 1.941 1.941 1541 1HG MET 70 2HG MET 70 14.533 1.853 1.853 1542 2HG MET 70 1HG MET 70 14.813 0.335 0.335 1543 1HE MET 70 2HE MET 70 13.931 0.437 0.437 1544 2HE MET 70 1HE MET 70 13.055 1.957 1.957 1545 3HE MET 70 3HE MET 70 14.539 1.684 1.684 1546 H ALA 71 HN ALA 71 11.512 3.287 3.287 1547 HA ALA 71 HA ALA 71 8.644 2.819 2.819 1548 1HB ALA 71 1HB ALA 71 9.316 3.150 3.150 1549 2HB ALA 71 3HB ALA 71 9.624 4.829 4.829 1550 3HB ALA 71 2HB ALA 71 8.006 4.150 4.150 1551 H VAL 72 HN VAL 72 7.896 3.982 3.982 1552 HA VAL 72 HA VAL 72 9.423 6.295 6.295 1553 HB VAL 72 HB VAL 72 7.078 4.961 4.961 1554 1HG1 VAL 72 2HG1 VAL 72 8.295 7.379 7.379 1555 2HG1 VAL 72 1HG1 VAL 72 9.083 6.278 6.278 1556 3HG1 VAL 72 3HG1 VAL 72 7.327 6.441 6.441 1557 1HG2 VAL 72 2HG2 VAL 72 9.450 3.728 3.728 1558 2HG2 VAL 72 1HG2 VAL 72 8.406 3.382 3.382 1559 3HG2 VAL 72 3HG2 VAL 72 9.770 4.488 4.488 1560 H SER 73 HN SER 73 8.850 8.039 8.039 1561 HA SER 73 HA SER 73 6.244 8.556 8.556 1562 1HB SER 73 2HB SER 73 8.738 10.203 10.203 1563 2HB SER 73 1HB SER 73 7.225 10.962 10.962 1564 HG SER 73 HG SER 73 8.929 9.530 9.530 1565 H CYS 74 HN CYS 74 4.516 9.095 9.095 1566 HA CYS 74 HA CYS 74 4.874 10.746 10.746 1567 1HB CYS 74 2HB CYS 74 2.980 8.443 8.443 1568 2HB CYS 74 1HB CYS 74 2.781 9.586 9.586 1569 HG CYS 74 HG CYS 74 4.098 7.705 7.705 1570 H ASP 75 HN ASP 75 4.052 12.704 12.704 1571 HA ASP 75 HA ASP 75 1.912 13.093 13.093 1572 1HB ASP 75 2HB ASP 75 3.707 15.072 15.072 1573 2HB ASP 75 1HB ASP 75 2.441 15.519 15.519 1574 H THR 76 HN THR 76 0.025 14.290 14.290 1575 HA THR 76 HA THR 76 -1.281 13.591 13.591 1576 HB THR 76 HB THR 76 -3.035 14.990 14.990 1577 HG1 THR 76 1HG THR 76 -1.144 16.502 16.502 1578 1HG2 THR 76 1HG2 THR 76 -2.344 13.250 13.250 1579 2HG2 THR 76 3HG2 THR 76 -1.643 14.588 14.588 1580 3HG2 THR 76 2HG2 THR 76 -3.372 14.569 14.569 1581 H PHE 77 HN PHE 77 -2.238 15.169 15.169 1582 HA PHE 77 HA PHE 77 -0.994 17.591 17.591 1583 1HB PHE 77 2HB PHE 77 0.463 17.008 17.008 1584 2HB PHE 77 1HB PHE 77 0.945 16.045 16.045 1585 HD1 PHE 77 2HD PHE 77 0.315 13.640 13.640 1586 HD2 PHE 77 1HD PHE 77 -0.279 16.001 16.001 1587 HE1 PHE 77 2HE PHE 77 0.097 11.590 11.590 1588 HE2 PHE 77 1HE PHE 77 -0.501 13.955 13.955 1589 HZ PHE 77 HZ PHE 77 -0.312 11.746 11.746 1590 H ASN 78 HN ASN 78 -1.137 17.559 17.559 1591 HA ASN 78 HA ASN 78 -3.896 16.694 16.694 1592 1HB ASN 78 2HB ASN 78 -2.683 19.390 19.390 1593 2HB ASN 78 1HB ASN 78 -4.222 18.824 18.824 1594 1HD2 ASN 78 2HD2 ASN 78 -3.892 20.083 20.083 1595 2HD2 ASN 78 1HD2 ASN 78 -2.495 19.766 19.766 1596 H ALA 79 HN ALA 79 -3.415 15.024 15.024 1597 HA ALA 79 HA ALA 79 -1.386 15.153 15.153 1598 1HB ALA 79 1HB ALA 79 -2.516 13.096 13.096 1599 2HB ALA 79 3HB ALA 79 -3.612 13.185 13.185 1600 3HB ALA 79 2HB ALA 79 -1.883 12.963 12.963 1601 H ALA 80 HN ALA 80 -4.696 16.110 16.110 1602 HA ALA 80 HA ALA 80 -5.586 15.902 15.902 1603 1HB ALA 80 3HB ALA 80 -6.404 17.246 17.246 1604 2HB ALA 80 2HB ALA 80 -6.269 18.497 18.497 1605 3HB ALA 80 1HB ALA 80 -7.296 17.089 17.089 1606 H THR 81 HN THR 81 -3.391 18.315 18.315 1607 HA THR 81 HA THR 81 -2.782 19.171 19.171 1608 HB THR 81 HB THR 81 -2.498 21.470 21.470 1609 HG1 THR 81 1HG THR 81 -2.457 21.893 21.893 1610 1HG2 THR 81 2HG2 THR 81 -4.749 20.628 20.628 1611 2HG2 THR 81 1HG2 THR 81 -5.189 20.539 20.539 1612 3HG2 THR 81 3HG2 THR 81 -4.746 22.090 22.090 1613 H GLU 82 HN GLU 82 -1.327 17.198 17.198 1614 HA GLU 82 HA GLU 82 1.256 18.515 18.515 1615 1HB GLU 82 2HB GLU 82 -0.043 16.664 16.664 1616 2HB GLU 82 1HB GLU 82 1.708 16.678 16.678 1617 1HG GLU 82 2HG GLU 82 0.306 19.271 19.271 1618 2HG GLU 82 1HG GLU 82 0.462 18.197 18.197 1619 H ASP 83 HN ASP 83 3.056 17.204 17.204 1620 HA ASP 83 HA ASP 83 2.537 15.349 15.349 1621 1HB ASP 83 2HB ASP 83 5.069 15.016 15.016 1622 2HB ASP 83 1HB ASP 83 4.499 16.643 16.643 1623 H LEU 84 HN LEU 84 2.984 13.136 13.136 1624 HA LEU 84 HA LEU 84 3.299 11.791 11.791 1625 1HB LEU 84 2HB LEU 84 1.607 10.728 10.728 1626 2HB LEU 84 1HB LEU 84 1.693 10.143 10.143 1627 HG LEU 84 HG LEU 84 0.537 12.805 12.805 1628 1HD1 LEU 84 1HD1 LEU 84 -0.720 10.156 10.156 1629 2HD1 LEU 84 3HD1 LEU 84 -1.602 11.675 11.675 1630 3HD1 LEU 84 2HD1 LEU 84 -0.966 11.180 11.180 1631 1HD2 LEU 84 2HD2 LEU 84 1.588 12.603 12.603 1632 2HD2 LEU 84 1HD2 LEU 84 -0.099 13.117 13.117 1633 3HD2 LEU 84 3HD2 LEU 84 0.299 11.455 11.455 1634 H ASN 85 HN ASN 85 5.190 12.467 12.467 1635 HA ASN 85 HA ASN 85 6.309 9.782 9.782 1636 1HB ASN 85 2HB ASN 85 5.611 11.635 11.635 1637 2HB ASN 85 1HB ASN 85 6.963 10.517 10.517 1638 1HD2 ASN 85 2HD2 ASN 85 4.912 7.606 7.606 1639 2HD2 ASN 85 1HD2 ASN 85 6.430 8.217 8.217 1640 H ASN 86 HN ASN 86 6.912 12.167 12.167 1641 HA ASN 86 HA ASN 86 9.659 12.636 12.636 1642 1HB ASN 86 2HB ASN 86 7.719 14.561 14.561 1643 2HB ASN 86 1HB ASN 86 9.456 14.854 14.854 1644 1HD2 ASN 86 2HD2 ASN 86 7.472 14.901 14.901 1645 2HD2 ASN 86 1HD2 ASN 86 6.926 13.888 13.888 1646 H ASP 87 HN ASP 87 8.057 10.937 10.937 1647 HA ASP 87 HA ASP 87 9.858 11.595 11.595 1648 1HB ASP 87 2HB ASP 87 7.100 10.548 10.548 1649 2HB ASP 87 1HB ASP 87 8.116 9.807 9.807 1650 H ARG 88 HN ARG 88 11.518 10.303 10.303 1651 HA ARG 88 HA ARG 88 11.327 7.454 7.454 1652 1HB ARG 88 2HB ARG 88 13.196 9.392 9.392 1653 2HB ARG 88 1HB ARG 88 13.831 7.808 7.808 1654 1HG ARG 88 2HG ARG 88 12.182 6.724 6.724 1655 2HG ARG 88 1HG ARG 88 11.397 8.269 8.269 1656 1HD ARG 88 2HD ARG 88 12.850 8.770 8.770 1657 2HD ARG 88 1HD ARG 88 14.233 8.305 8.305 1658 HE ARG 88 HE ARG 88 12.793 6.046 6.046 1659 1HH1 ARG 88 1HH2 ARG 88 15.170 8.453 8.453 1660 2HH1 ARG 88 2HH2 ARG 88 15.937 7.474 7.474 1661 1HH2 ARG 88 1HH1 ARG 88 13.793 4.746 4.746 1662 2HH2 ARG 88 2HH1 ARG 88 15.152 5.365 5.365 1663 H ILE 89 HN ILE 89 12.699 6.138 6.138 1664 HA ILE 89 HA ILE 89 14.060 7.507 7.507 1665 HB ILE 89 HB ILE 89 12.701 4.808 4.808 1666 1HG1 ILE 89 2HG1 ILE 89 11.909 7.417 7.417 1667 2HG1 ILE 89 1HG1 ILE 89 11.128 6.725 6.725 1668 1HG2 ILE 89 2HG2 ILE 89 14.720 5.062 5.062 1669 2HG2 ILE 89 1HG2 ILE 89 13.889 6.374 6.374 1670 3HG2 ILE 89 3HG2 ILE 89 13.227 4.740 4.740 1671 1HD1 ILE 89 1HD1 ILE 89 11.309 5.184 5.184 1672 2HD1 ILE 89 3HD1 ILE 89 10.046 6.388 6.388 1673 3HD1 ILE 89 2HD1 ILE 89 10.173 5.000 5.000 1674 H THR 90 HN THR 90 16.178 7.403 7.403 1675 HA THR 90 HA THR 90 17.326 5.067 5.067 1676 HB THR 90 HB THR 90 19.018 7.338 7.338 1677 HG1 THR 90 1HG THR 90 17.373 7.551 7.551 1678 1HG2 THR 90 3HG2 THR 90 19.827 5.361 5.361 1679 2HG2 THR 90 2HG2 THR 90 18.935 6.088 6.088 1680 3HG2 THR 90 1HG2 THR 90 20.246 6.979 6.979 1681 H ILE 91 HN ILE 91 18.132 3.438 3.438 1682 HA ILE 91 HA ILE 91 18.985 3.899 3.899 1683 HB ILE 91 HB ILE 91 18.173 1.268 1.268 1684 1HG1 ILE 91 2HG1 ILE 91 16.179 1.738 1.738 1685 2HG1 ILE 91 1HG1 ILE 91 16.590 3.411 3.411 1686 1HG2 ILE 91 2HG2 ILE 91 19.431 1.994 1.994 1687 2HG2 ILE 91 1HG2 ILE 91 17.855 1.268 1.268 1688 3HG2 ILE 91 3HG2 ILE 91 19.054 0.391 0.391 1689 1HD1 ILE 91 1HD1 ILE 91 16.483 2.430 2.430 1690 2HD1 ILE 91 3HD1 ILE 91 15.326 1.366 1.366 1691 3HD1 ILE 91 2HD1 ILE 91 15.094 3.113 3.113 1692 H GLU 92 HN GLU 92 21.138 4.303 4.303 1693 HA GLU 92 HA GLU 92 22.789 2.540 2.540 1694 1HB GLU 92 2HB GLU 92 23.813 4.904 4.904 1695 2HB GLU 92 1HB GLU 92 24.467 4.175 4.175 1696 1HG GLU 92 2HG GLU 92 22.636 5.048 5.048 1697 2HG GLU 92 1HG GLU 92 21.869 5.687 5.687 1698 H TRP 93 HN TRP 93 24.768 1.648 1.648 1699 HA TRP 93 HA TRP 93 25.176 1.547 1.547 1700 1HB TRP 93 2HB TRP 93 24.636 -0.739 -0.739 1701 2HB TRP 93 1HB TRP 93 23.223 -0.008 -0.008 1702 HD1 TRP 93 1HD TRP 93 25.548 -2.894 -2.894 1703 HE1 TRP 93 1HE TRP 93 25.039 -4.203 -4.203 1704 HE3 TRP 93 3HE TRP 93 22.448 0.473 0.473 1705 HZ2 TRP 93 2HZ TRP 93 23.528 -3.853 -3.853 1706 HZ3 TRP 93 3HZ TRP 93 21.514 -0.091 -0.091 1707 HH2 TRP 93 2HH TRP 93 22.044 -2.210 -2.210 1708 H THR 94 HN THR 94 27.171 0.786 0.786 1709 HA THR 94 HA THR 94 28.788 -0.544 -0.544 1710 HB THR 94 HB THR 94 29.377 1.704 1.704 1711 HG1 THR 94 1HG THR 94 31.520 1.768 1.768 1712 1HG2 THR 94 2HG2 THR 94 28.380 2.751 2.751 1713 2HG2 THR 94 1HG2 THR 94 29.742 2.180 2.180 1714 3HG2 THR 94 3HG2 THR 94 30.008 3.341 3.341 1715 H ASN 95 HN ASN 95 30.068 -2.078 -2.078 1716 HA ASN 95 HA ASN 95 29.830 -3.025 -3.025 1717 1HB ASN 95 2HB ASN 95 32.079 -4.149 -4.149 1718 2HB ASN 95 1HB ASN 95 30.815 -4.450 -4.450 1719 1HD2 ASN 95 2HD2 ASN 95 32.838 -3.468 -3.468 1720 2HD2 ASN 95 1HD2 ASN 95 31.593 -4.487 -4.487 1721 H THR 96 HN THR 96 31.012 -2.886 -2.886 1722 HA THR 96 HA THR 96 32.369 -0.340 -0.340 1723 HB THR 96 HB THR 96 31.960 -0.581 -0.581 1724 HG1 THR 96 1HG THR 96 32.434 -2.373 -2.373 1725 1HG2 THR 96 2HG2 THR 96 29.815 -0.779 -0.779 1726 2HG2 THR 96 1HG2 THR 96 29.766 -2.419 -2.419 1727 3HG2 THR 96 3HG2 THR 96 29.737 -1.036 -1.036 1728 HA PRO 97 HA PRO 97 36.514 -1.853 -1.853 1729 1HB PRO 97 2HB PRO 97 36.969 -0.138 -0.138 1730 2HB PRO 97 1HB PRO 97 37.845 -0.182 -0.182 1731 1HG PRO 97 2HG PRO 97 36.142 1.793 1.793 1732 2HG PRO 97 1HG PRO 97 36.250 1.097 1.097 1733 1HD PRO 97 2HD PRO 97 34.166 0.699 0.699 1734 2HD PRO 97 1HD PRO 97 33.992 0.780 0.780 1735 H ASP 98 HN ASP 98 38.069 -3.092 -3.092 1736 HA ASP 98 HA ASP 98 37.087 -5.151 -5.151 1737 1HB ASP 98 2HB ASP 98 39.761 -4.002 -4.002 1738 2HB ASP 98 1HB ASP 98 39.612 -4.975 -4.975 1739 H GLY 99 HN GLY 99 36.090 -5.212 -5.212 1740 1HA GLY 99 2HA GLY 99 35.390 -4.614 -4.614 1741 2HA GLY 99 1HA GLY 99 37.105 -4.385 -4.385 1742 H ALA 100 HN ALA 100 34.798 -2.608 -2.608 1743 HA ALA 100 HA ALA 100 35.808 -0.096 -0.096 1744 1HB ALA 100 2HB ALA 100 34.005 -0.880 -0.880 1745 2HB ALA 100 1HB ALA 100 34.003 0.784 0.784 1746 3HB ALA 100 3HB ALA 100 35.493 0.067 0.067 1747 H ALA 101 HN ALA 101 34.635 -1.398 -1.398 1748 HA ALA 101 HA ALA 101 33.077 -1.209 -1.209 1749 1HB ALA 101 3HB ALA 101 33.082 1.473 1.473 1750 2HB ALA 101 2HB ALA 101 31.846 1.111 1.111 1751 3HB ALA 101 1HB ALA 101 33.554 0.998 0.998 1752 H LYS 102 HN LYS 102 30.765 -0.954 -0.954 1753 HA LYS 102 HA LYS 102 29.162 -1.952 -1.952 1754 1HB LYS 102 2HB LYS 102 29.451 -2.932 -2.932 1755 2HB LYS 102 1HB LYS 102 27.965 -2.002 -2.002 1756 1HG LYS 102 2HG LYS 102 26.799 -3.556 -3.556 1757 2HG LYS 102 1HG LYS 102 27.959 -3.610 -3.610 1758 1HD LYS 102 2HD LYS 102 29.414 -5.043 -5.043 1759 2HD LYS 102 1HD LYS 102 28.074 -5.120 -5.120 1760 1HE LYS 102 2HE LYS 102 26.703 -5.903 -5.903 1761 2HE LYS 102 1HE LYS 102 28.284 -6.271 -6.271 1762 1HZ LYS 102 3HZ LYS 102 28.045 -7.257 -7.257 1763 2HZ LYS 102 2HZ LYS 102 26.815 -7.870 -7.870 1764 3HZ LYS 102 1HZ LYS 102 28.436 -8.088 -8.088 1765 H GLN 103 HN GLN 103 29.071 0.281 0.281 1766 HA GLN 103 HA GLN 103 26.574 1.463 1.463 1767 1HB GLN 103 2HB GLN 103 28.475 2.257 2.257 1768 2HB GLN 103 1HB GLN 103 28.671 3.477 3.477 1769 1HG GLN 103 2HG GLN 103 26.938 4.576 4.576 1770 2HG GLN 103 1HG GLN 103 25.900 3.191 3.191 1771 1HE2 GLN 103 2HE2 GLN 103 25.223 3.356 3.356 1772 2HE2 GLN 103 1HE2 GLN 103 24.670 3.750 3.750 1773 H PHE 104 HN PHE 104 25.987 3.137 3.137 1774 HA PHE 104 HA PHE 104 27.106 2.878 2.878 1775 1HB PHE 104 2HB PHE 104 24.777 3.477 3.477 1776 2HB PHE 104 1HB PHE 104 25.216 4.953 4.953 1777 HD1 PHE 104 1HD PHE 104 25.162 3.280 3.280 1778 HD2 PHE 104 2HD PHE 104 25.892 6.909 6.909 1779 HE1 PHE 104 1HE PHE 104 25.186 4.504 4.504 1780 HE2 PHE 104 2HE PHE 104 25.916 8.142 8.142 1781 HZ PHE 104 HZ PHE 104 25.562 6.938 6.938 1782 H ARG 105 HN ARG 105 28.179 4.454 4.454 1783 HA ARG 105 HA ARG 105 29.457 6.668 6.668 1784 1HB ARG 105 2HB ARG 105 30.953 4.495 4.495 1785 2HB ARG 105 1HB ARG 105 31.670 6.028 6.028 1786 1HG ARG 105 2HG ARG 105 30.478 4.016 4.016 1787 2HG ARG 105 1HG ARG 105 32.199 4.198 4.198 1788 1HD ARG 105 2HD ARG 105 31.308 6.763 6.763 1789 2HD ARG 105 1HD ARG 105 30.511 5.701 5.701 1790 HE ARG 105 HE ARG 105 33.292 5.119 5.119 1791 1HH1 ARG 105 1HH2 ARG 105 31.002 7.282 7.282 1792 2HH1 ARG 105 2HH2 ARG 105 32.040 7.677 7.677 1793 1HH2 ARG 105 1HH1 ARG 105 34.666 5.629 5.629 1794 2HH2 ARG 105 2HH1 ARG 105 34.124 6.737 6.737 1795 H ARG 106 HN ARG 106 30.209 8.338 8.338 1796 HA ARG 106 HA ARG 106 29.020 8.307 8.307 1797 1HB ARG 106 2HB ARG 106 28.589 10.112 10.112 1798 2HB ARG 106 1HB ARG 106 30.074 10.802 10.802 1799 1HG ARG 106 2HG ARG 106 29.022 10.814 10.814 1800 2HG ARG 106 1HG ARG 106 27.515 10.292 10.292 1801 1HD ARG 106 2HD ARG 106 27.251 12.588 12.588 1802 2HD ARG 106 1HD ARG 106 27.847 12.359 12.359 1803 HE ARG 106 HE ARG 106 29.248 13.597 13.597 1804 1HH1 ARG 106 1HH2 ARG 106 29.457 12.318 12.318 1805 2HH1 ARG 106 2HH2 ARG 106 30.913 13.175 13.175 1806 1HH2 ARG 106 1HH1 ARG 106 31.161 14.717 14.717 1807 2HH2 ARG 106 2HH1 ARG 106 31.881 14.533 14.533 1808 H GLU 107 HN GLU 107 31.645 7.125 7.125 1809 HA GLU 107 HA GLU 107 33.399 8.772 8.772 1810 1HB GLU 107 2HB GLU 107 35.262 7.449 7.449 1811 2HB GLU 107 1HB GLU 107 34.417 8.625 8.625 1812 1HG GLU 107 2HG GLU 107 33.473 7.044 7.044 1813 2HG GLU 107 1HG GLU 107 33.389 5.852 5.852 1814 H TRP 108 HN TRP 108 32.039 5.611 5.611 1815 HA TRP 108 HA TRP 108 33.661 4.122 4.122 1816 1HB TRP 108 2HB TRP 108 30.739 3.630 3.630 1817 2HB TRP 108 1HB TRP 108 31.927 2.446 2.446 1818 HD1 TRP 108 1HD TRP 108 34.161 3.665 3.665 1819 HE1 TRP 108 1HE TRP 108 33.925 2.855 2.855 1820 HE3 TRP 108 3HE TRP 108 29.306 2.067 2.067 1821 HZ2 TRP 108 2HZ TRP 108 31.943 1.692 1.692 1822 HZ3 TRP 108 3HZ TRP 108 28.316 1.118 1.118 1823 HH2 TRP 108 2HH TRP 108 29.609 0.935 0.935 1824 H PHE 109 HN PHE 109 31.027 6.311 6.311 1825 HA PHE 109 HA PHE 109 30.595 5.445 5.445 1826 1HB PHE 109 2HB PHE 109 29.502 7.702 7.702 1827 2HB PHE 109 1HB PHE 109 29.147 7.563 7.563 1828 HD1 PHE 109 1HD PHE 109 28.609 6.111 6.111 1829 HD2 PHE 109 2HD PHE 109 27.706 5.822 5.822 1830 HE1 PHE 109 1HE PHE 109 26.764 4.567 4.567 1831 HE2 PHE 109 2HE PHE 109 25.857 4.279 4.279 1832 HZ PHE 109 HZ PHE 109 25.385 3.649 3.649 1833 H GLN 110 HN GLN 110 32.156 8.127 8.127 1834 HA GLN 110 HA GLN 110 32.796 9.677 9.677 1835 1HB GLN 110 2HB GLN 110 34.010 9.438 9.438 1836 2HB GLN 110 1HB GLN 110 34.701 10.509 10.509 1837 1HG GLN 110 2HG GLN 110 31.880 10.627 10.627 1838 2HG GLN 110 1HG GLN 110 33.203 11.691 11.691 1839 1HE2 GLN 110 2HE2 GLN 110 33.272 13.387 13.387 1840 2HE2 GLN 110 1HE2 GLN 110 34.335 12.695 12.695 1841 H GLY 111 HN GLY 111 34.267 6.827 6.827 1842 1HA GLY 111 2HA GLY 111 36.781 7.051 7.051 1843 2HA GLY 111 1HA GLY 111 36.098 5.584 5.584 1844 H ASP 112 HN ASP 112 37.559 6.081 6.081 1845 HA ASP 112 HA ASP 112 35.577 5.650 5.650 1846 1HB ASP 112 2HB ASP 112 38.570 5.917 5.917 1847 2HB ASP 112 1HB ASP 112 37.740 5.314 5.314 1848 H GLY 113 HN GLY 113 34.697 3.715 3.715 1849 1HA GLY 113 2HA GLY 113 35.219 1.459 1.459 1850 2HA GLY 113 1HA GLY 113 36.399 1.341 1.341 1851 H MET 114 HN MET 114 33.772 -0.076 -0.076 1852 HA MET 114 HA MET 114 32.027 -1.119 -1.119 1853 1HB MET 114 2HB MET 114 33.797 -0.695 -0.695 1854 2HB MET 114 1HB MET 114 32.355 -1.701 -1.701 1855 1HG MET 114 2HG MET 114 33.436 -3.410 -3.410 1856 2HG MET 114 1HG MET 114 34.124 -2.395 -2.395 1857 1HE MET 114 2HE MET 114 36.044 -1.381 -1.381 1858 2HE MET 114 1HE MET 114 36.716 -0.584 -0.584 1859 3HE MET 114 3HE MET 114 37.525 -1.994 -1.994 1860 H VAL 115 HN VAL 115 30.269 0.084 0.084 1861 HA VAL 115 HA VAL 115 28.940 1.180 1.180 1862 HB VAL 115 HB VAL 115 30.619 2.934 2.934 1863 1HG1 VAL 115 2HG1 VAL 115 31.142 2.732 2.732 1864 2HG1 VAL 115 1HG1 VAL 115 29.894 3.966 3.966 1865 3HG1 VAL 115 3HG1 VAL 115 31.326 4.292 4.292 1866 1HG2 VAL 115 2HG2 VAL 115 27.953 3.327 3.327 1867 2HG2 VAL 115 1HG2 VAL 115 29.131 4.579 4.579 1868 3HG2 VAL 115 3HG2 VAL 115 28.446 4.492 4.492 1869 H ARG 116 HN ARG 116 27.145 0.334 0.334 1870 HA ARG 116 HA ARG 116 26.480 1.191 1.191 1871 1HB ARG 116 2HB ARG 116 26.348 -1.253 -1.253 1872 2HB ARG 116 1HB ARG 116 24.777 -0.705 -0.705 1873 1HG ARG 116 2HG ARG 116 23.917 -0.515 -0.515 1874 2HG ARG 116 1HG ARG 116 25.502 -0.280 -0.280 1875 1HD ARG 116 2HD ARG 116 25.559 -2.827 -2.827 1876 2HD ARG 116 1HD ARG 116 24.000 -2.703 -2.703 1877 HE ARG 116 HE ARG 116 25.870 -1.778 -1.778 1878 1HH1 ARG 116 1HH2 ARG 116 25.249 -4.739 -4.739 1879 2HH1 ARG 116 2HH2 ARG 116 25.938 -5.750 -5.750 1880 1HH2 ARG 116 1HH1 ARG 116 26.778 -3.099 -3.099 1881 2HH2 ARG 116 2HH1 ARG 116 26.808 -4.817 -4.817 1882 H ARG 117 HN ARG 117 24.277 1.820 1.820 1883 HA ARG 117 HA ARG 117 22.786 3.038 3.038 1884 1HB ARG 117 2HB ARG 117 22.494 5.089 5.089 1885 2HB ARG 117 1HB ARG 117 23.994 4.930 4.930 1886 1HG ARG 117 2HG ARG 117 25.203 4.292 4.292 1887 2HG ARG 117 1HG ARG 117 23.736 3.955 3.955 1888 1HD ARG 117 2HD ARG 117 24.655 6.024 6.024 1889 2HD ARG 117 1HD ARG 117 23.180 6.378 6.378 1890 HE ARG 117 HE ARG 117 24.436 7.543 7.543 1891 1HH1 ARG 117 1HH2 ARG 117 26.538 5.512 5.512 1892 2HH1 ARG 117 2HH2 ARG 117 27.993 6.181 6.181 1893 1HH2 ARG 117 1HH1 ARG 117 26.346 8.434 8.434 1894 2HH2 ARG 117 2HH1 ARG 117 27.884 7.843 7.843 1895 H LYS 118 HN LYS 118 20.947 1.902 1.902 1896 HA LYS 118 HA LYS 118 19.819 1.344 1.344 1897 1HB LYS 118 2HB LYS 118 19.572 0.210 0.210 1898 2HB LYS 118 1HB LYS 118 18.040 0.343 0.343 1899 1HG LYS 118 2HG LYS 118 18.896 -0.963 -0.963 1900 2HG LYS 118 1HG LYS 118 20.496 -1.013 -1.013 1901 1HD LYS 118 2HD LYS 118 19.720 -3.024 -3.024 1902 2HD LYS 118 1HD LYS 118 19.082 -2.012 -2.012 1903 1HE LYS 118 2HE LYS 118 16.927 -1.915 -1.915 1904 2HE LYS 118 1HE LYS 118 17.547 -2.774 -2.774 1905 1HZ LYS 118 3HZ LYS 118 17.714 -4.034 -4.034 1906 2HZ LYS 118 2HZ LYS 118 16.242 -4.049 -4.049 1907 3HZ LYS 118 1HZ LYS 118 17.612 -4.757 -4.757 1908 H ASN 119 HN ASN 119 17.445 1.605 1.605 1909 HA ASN 119 HA ASN 119 16.476 4.066 4.066 1910 1HB ASN 119 2HB ASN 119 16.601 3.388 3.388 1911 2HB ASN 119 1HB ASN 119 15.339 4.460 4.460 1912 1HD2 ASN 119 2HD2 ASN 119 19.248 5.663 5.663 1913 2HD2 ASN 119 1HD2 ASN 119 18.844 3.983 3.983 1914 H LEU 120 HN LEU 120 14.197 4.277 4.277 1915 HA LEU 120 HA LEU 120 12.643 1.843 1.843 1916 1HB LEU 120 2HB LEU 120 13.475 2.684 2.684 1917 2HB LEU 120 1HB LEU 120 11.775 3.101 3.101 1918 HG LEU 120 HG LEU 120 11.738 0.552 0.552 1919 1HD1 LEU 120 3HD1 LEU 120 14.286 0.718 0.718 1920 2HD1 LEU 120 2HD1 LEU 120 13.446 0.119 0.119 1921 3HD1 LEU 120 1HD1 LEU 120 13.348 -0.774 -0.774 1922 1HD2 LEU 120 1HD2 LEU 120 11.054 1.938 1.938 1923 2HD2 LEU 120 3HD2 LEU 120 10.172 0.686 0.686 1924 3HD2 LEU 120 2HD2 LEU 120 11.427 0.238 0.238 1925 HA PRO 121 HA PRO 121 10.424 5.392 5.392 1926 1HB PRO 121 2HB PRO 121 8.916 3.044 3.044 1927 2HB PRO 121 1HB PRO 121 9.522 4.465 4.465 1928 1HG PRO 121 2HG PRO 121 10.753 2.119 2.119 1929 2HG PRO 121 1HG PRO 121 11.683 3.625 3.625 1930 1HD PRO 121 2HD PRO 121 11.211 1.540 1.540 1931 2HD PRO 121 1HD PRO 121 12.669 2.498 2.498 1932 H ILE 122 HN ILE 122 8.741 6.418 6.418 1933 HA ILE 122 HA ILE 122 7.015 4.933 4.933 1934 HB ILE 122 HB ILE 122 7.210 7.927 7.927 1935 1HG1 ILE 122 2HG1 ILE 122 9.391 6.819 6.819 1936 2HG1 ILE 122 1HG1 ILE 122 8.775 7.975 7.975 1937 1HG2 ILE 122 3HG2 ILE 122 5.670 6.108 6.108 1938 2HG2 ILE 122 2HG2 ILE 122 6.483 7.406 7.406 1939 3HG2 ILE 122 1HG2 ILE 122 5.366 7.790 7.790 1940 1HD1 ILE 122 1HD1 ILE 122 7.775 5.376 5.376 1941 2HD1 ILE 122 3HD1 ILE 122 9.526 5.305 5.305 1942 3HD1 ILE 122 2HD1 ILE 122 8.817 6.431 6.431 1943 H GLU 123 HN GLU 123 4.766 5.018 5.018 1944 HA GLU 123 HA GLU 123 3.591 6.333 6.333 1945 1HB GLU 123 2HB GLU 123 3.538 3.411 3.411 1946 2HB GLU 123 1HB GLU 123 2.147 4.144 4.144 1947 1HG GLU 123 2HG GLU 123 3.549 4.897 4.897 1948 2HG GLU 123 1HG GLU 123 4.974 4.236 4.236 1949 H TYR 124 HN TYR 124 1.266 6.559 6.559 1950 HA TYR 124 HA TYR 124 0.282 6.563 6.563 1951 1HB TYR 124 2HB TYR 124 -0.436 8.526 8.526 1952 2HB TYR 124 1HB TYR 124 -0.989 8.575 8.575 1953 HD1 TYR 124 1HD TYR 124 2.141 8.650 8.650 1954 HD2 TYR 124 2HD TYR 124 0.179 9.851 9.851 1955 HE1 TYR 124 1HE TYR 124 4.086 10.030 10.030 1956 HE2 TYR 124 2HE TYR 124 2.119 11.235 11.235 1957 HH TYR 124 HH TYR 124 4.393 12.212 12.212 1958 H ASN 125 HN ASN 125 -1.696 5.723 5.723 1959 HA ASN 125 HA ASN 125 -3.239 4.744 4.744 1960 1HB ASN 125 2HB ASN 125 -1.977 3.105 3.105 1961 2HB ASN 125 1HB ASN 125 -3.474 3.332 3.332 1962 1HD2 ASN 125 2HD2 ASN 125 -4.653 0.599 0.599 1963 2HD2 ASN 125 1HD2 ASN 125 -4.103 1.209 1.209 1964 H LEU 126 HN LEU 126 -4.387 6.771 6.771 1965 HA LEU 126 HA LEU 126 -5.768 7.750 7.750 1966 1HB LEU 126 2HB LEU 126 -6.329 7.833 7.833 1967 2HB LEU 126 1HB LEU 126 -7.413 8.595 8.595 1968 HG LEU 126 HG LEU 126 -5.577 10.009 10.009 1969 1HD1 LEU 126 2HD1 LEU 126 -7.081 10.765 10.765 1970 2HD1 LEU 126 1HD1 LEU 126 -5.912 10.180 10.180 1971 3HD1 LEU 126 3HD1 LEU 126 -5.477 11.492 11.492 1972 1HD2 LEU 126 3HD2 LEU 126 -3.988 8.643 8.643 1973 2HD2 LEU 126 2HD2 LEU 126 -3.657 8.653 8.653 1974 3HD2 LEU 126 1HD2 LEU 126 -3.495 10.138 10.138 Start of MODEL 7 1 1H ALA 1 1HN ALA 1 -44.165 0.489 0.489 2 2H ALA 1 3HN ALA 1 -44.672 -0.080 -0.080 3 3H ALA 1 2HN ALA 1 -44.926 1.562 1.562 4 HA ALA 1 HA ALA 1 -43.124 1.411 1.411 5 1HB ALA 1 2HB ALA 1 -42.668 -1.027 -1.027 6 2HB ALA 1 1HB ALA 1 -41.425 -0.108 -0.108 7 3HB ALA 1 3HB ALA 1 -41.465 -0.118 -0.118 8 H GLN 2 HN GLN 2 -43.493 3.564 3.564 9 HA GLN 2 HA GLN 2 -41.486 4.280 4.280 10 1HB GLN 2 2HB GLN 2 -42.995 6.284 6.284 11 2HB GLN 2 1HB GLN 2 -43.584 4.723 4.723 12 1HG GLN 2 2HG GLN 2 -45.004 4.557 4.557 13 2HG GLN 2 1HG GLN 2 -44.420 6.130 6.130 14 1HE2 GLN 2 2HE2 GLN 2 -47.526 7.016 7.016 15 2HE2 GLN 2 1HE2 GLN 2 -46.855 6.392 6.392 16 H SER 3 HN SER 3 -39.967 5.698 5.698 17 HA SER 3 HA SER 3 -40.386 7.737 7.737 18 1HB SER 3 2HB SER 3 -40.038 6.041 6.041 19 2HB SER 3 1HB SER 3 -38.720 5.320 5.320 20 HG SER 3 HG SER 3 -38.569 7.174 7.174 21 H VAL 4 HN VAL 4 -37.429 5.931 5.931 22 HA VAL 4 HA VAL 4 -36.517 7.559 7.559 23 HB VAL 4 HB VAL 4 -36.442 9.358 9.358 24 1HG1 VAL 4 1HG1 VAL 4 -35.735 7.361 7.361 25 2HG1 VAL 4 3HG1 VAL 4 -34.290 8.362 8.362 26 3HG1 VAL 4 2HG1 VAL 4 -35.826 9.092 9.092 27 1HG2 VAL 4 3HG2 VAL 4 -33.784 8.263 8.263 28 2HG2 VAL 4 2HG2 VAL 4 -34.756 9.526 9.526 29 3HG2 VAL 4 1HG2 VAL 4 -33.949 9.836 9.836 30 HA PRO 5 HA PRO 5 -33.682 4.139 4.139 31 1HB PRO 5 2HB PRO 5 -32.146 4.809 4.809 32 2HB PRO 5 1HB PRO 5 -33.817 4.267 4.267 33 1HG PRO 5 2HG PRO 5 -32.712 7.050 7.050 34 2HG PRO 5 1HG PRO 5 -33.921 6.316 6.316 35 1HD PRO 5 2HD PRO 5 -34.556 7.929 7.929 36 2HD PRO 5 1HD PRO 5 -35.628 6.654 6.654 37 HA PRO 6 HA PRO 6 -30.061 5.408 5.408 38 1HB PRO 6 2HB PRO 6 -28.253 3.526 3.526 39 2HB PRO 6 1HB PRO 6 -29.583 3.189 3.189 40 1HG PRO 6 2HG PRO 6 -29.383 2.631 2.631 41 2HG PRO 6 1HG PRO 6 -30.012 1.596 1.596 42 1HD PRO 6 2HD PRO 6 -31.633 3.006 3.006 43 2HD PRO 6 1HD PRO 6 -32.045 2.689 2.689 44 H GLY 7 HN GLY 7 -28.576 6.948 6.948 45 1HA GLY 7 2HA GLY 7 -27.992 7.969 7.969 46 2HA GLY 7 1HA GLY 7 -27.150 8.390 8.390 47 H ASP 8 HN ASP 8 -25.087 8.403 8.403 48 HA ASP 8 HA ASP 8 -24.031 5.790 5.790 49 1HB ASP 8 2HB ASP 8 -24.293 7.824 7.824 50 2HB ASP 8 1HB ASP 8 -22.700 8.193 8.193 51 H ILE 9 HN ILE 9 -22.151 5.173 5.173 52 HA ILE 9 HA ILE 9 -21.111 6.894 6.894 53 HB ILE 9 HB ILE 9 -19.944 4.923 4.923 54 1HG1 ILE 9 2HG1 ILE 9 -21.231 3.301 3.301 55 2HG1 ILE 9 1HG1 ILE 9 -19.627 4.000 4.000 56 1HG2 ILE 9 1HG2 ILE 9 -22.333 5.332 5.332 57 2HG2 ILE 9 3HG2 ILE 9 -22.783 4.192 4.192 58 3HG2 ILE 9 2HG2 ILE 9 -21.841 3.642 3.642 59 1HD1 ILE 9 2HD1 ILE 9 -20.079 2.437 2.437 60 2HD1 ILE 9 1HD1 ILE 9 -20.049 1.542 1.542 61 3HD1 ILE 9 3HD1 ILE 9 -18.664 2.529 2.529 62 H ASN 10 HN ASN 10 -18.861 7.274 7.274 63 HA ASN 10 HA ASN 10 -17.399 7.309 7.309 64 1HB ASN 10 2HB ASN 10 -17.235 9.026 9.026 65 2HB ASN 10 1HB ASN 10 -15.941 9.007 9.007 66 1HD2 ASN 10 2HD2 ASN 10 -18.345 11.755 11.755 67 2HD2 ASN 10 1HD2 ASN 10 -17.434 11.276 11.276 68 H THR 11 HN THR 11 -15.533 6.221 6.221 69 HA THR 11 HA THR 11 -14.338 4.998 4.998 70 HB THR 11 HB THR 11 -13.772 3.031 3.031 71 HG1 THR 11 1HG THR 11 -14.257 3.142 3.142 72 1HG2 THR 11 1HG2 THR 11 -16.674 3.649 3.649 73 2HG2 THR 11 3HG2 THR 11 -16.077 2.080 2.080 74 3HG2 THR 11 2HG2 THR 11 -15.585 2.718 2.718 75 H GLN 12 HN GLN 12 -12.082 4.527 4.527 76 HA GLN 12 HA GLN 12 -10.614 5.856 5.856 77 1HB GLN 12 2HB GLN 12 -10.061 6.320 6.320 78 2HB GLN 12 1HB GLN 12 -9.148 6.988 6.988 79 1HG GLN 12 2HG GLN 12 -12.067 7.539 7.539 80 2HG GLN 12 1HG GLN 12 -10.778 8.543 8.543 81 1HE2 GLN 12 2HE2 GLN 12 -11.495 10.369 10.369 82 2HE2 GLN 12 1HE2 GLN 12 -11.943 10.179 10.179 83 HA PRO 13 HA PRO 13 -9.016 5.434 5.434 84 1HB PRO 13 2HB PRO 13 -8.796 3.368 3.368 85 2HB PRO 13 1HB PRO 13 -7.413 4.134 4.134 86 1HG PRO 13 2HG PRO 13 -8.834 1.596 1.596 87 2HG PRO 13 1HG PRO 13 -7.092 1.932 1.932 88 1HD PRO 13 2HD PRO 13 -8.472 1.898 1.898 89 2HD PRO 13 1HD PRO 13 -7.126 3.025 3.025 90 H SER 14 HN SER 14 -10.458 5.608 5.608 91 HA SER 14 HA SER 14 -13.136 5.220 5.220 92 1HB SER 14 2HB SER 14 -11.771 6.572 6.572 93 2HB SER 14 1HB SER 14 -12.551 5.295 5.295 94 HG SER 14 HG SER 14 -14.094 6.788 6.788 95 H GLN 15 HN GLN 15 -11.099 3.335 3.335 96 HA GLN 15 HA GLN 15 -12.443 0.905 0.905 97 1HB GLN 15 2HB GLN 15 -13.460 0.475 0.475 98 2HB GLN 15 1HB GLN 15 -14.174 1.890 1.890 99 1HG GLN 15 2HG GLN 15 -12.350 3.152 3.152 100 2HG GLN 15 1HG GLN 15 -12.447 1.695 1.695 101 1HE2 GLN 15 2HE2 GLN 15 -14.858 3.797 3.797 102 2HE2 GLN 15 1HE2 GLN 15 -13.160 3.490 3.490 103 H LYS 16 HN LYS 16 -9.796 1.561 1.561 104 HA LYS 16 HA LYS 16 -8.654 -0.440 -0.440 105 1HB LYS 16 2HB LYS 16 -8.755 2.033 2.033 106 2HB LYS 16 1HB LYS 16 -7.179 2.077 2.077 107 1HG LYS 16 2HG LYS 16 -6.483 0.102 0.102 108 2HG LYS 16 1HG LYS 16 -8.093 -0.088 -0.088 109 1HD LYS 16 2HD LYS 16 -7.833 1.721 1.721 110 2HD LYS 16 1HD LYS 16 -6.575 2.452 2.452 111 1HE LYS 16 2HE LYS 16 -5.059 0.597 0.597 112 2HE LYS 16 1HE LYS 16 -6.314 -0.014 -0.014 113 1HZ LYS 16 1HZ LYS 16 -6.154 2.493 2.493 114 2HZ LYS 16 3HZ LYS 16 -4.561 2.289 2.289 115 3HZ LYS 16 2HZ LYS 16 -5.200 1.251 1.251 116 H ILE 17 HN ILE 17 -7.618 -1.493 -1.493 117 HA ILE 17 HA ILE 17 -5.694 0.027 0.027 118 HB ILE 17 HB ILE 17 -7.606 -0.498 -0.498 119 1HG1 ILE 17 2HG1 ILE 17 -5.202 -2.239 -2.239 120 2HG1 ILE 17 1HG1 ILE 17 -5.355 -0.530 -0.530 121 1HG2 ILE 17 3HG2 ILE 17 -7.908 -2.730 -2.730 122 2HG2 ILE 17 2HG2 ILE 17 -7.169 -3.404 -3.404 123 3HG2 ILE 17 1HG2 ILE 17 -8.666 -2.480 -2.480 124 1HD1 ILE 17 2HD1 ILE 17 -7.390 -2.430 -2.430 125 2HD1 ILE 17 1HD1 ILE 17 -5.796 -2.373 -2.373 126 3HD1 ILE 17 3HD1 ILE 17 -6.793 -0.920 -0.920 127 H VAL 18 HN VAL 18 -3.690 -0.731 -0.731 128 HA VAL 18 HA VAL 18 -3.313 -3.541 -3.541 129 HB VAL 18 HB VAL 18 -2.697 -2.053 -2.053 130 1HG1 VAL 18 2HG1 VAL 18 -2.097 -0.166 -0.166 131 2HG1 VAL 18 1HG1 VAL 18 -0.489 -0.891 -0.891 132 3HG1 VAL 18 3HG1 VAL 18 -1.214 -0.285 -0.285 133 1HG2 VAL 18 1HG2 VAL 18 -0.367 -3.359 -3.359 134 2HG2 VAL 18 3HG2 VAL 18 -1.428 -4.079 -4.079 135 3HG2 VAL 18 2HG2 VAL 18 -0.323 -2.781 -2.781 136 H PHE 19 HN PHE 19 -2.788 -4.500 -4.500 137 HA PHE 19 HA PHE 19 -1.508 -3.461 -3.461 138 1HB PHE 19 2HB PHE 19 -1.252 -6.267 -6.267 139 2HB PHE 19 1HB PHE 19 -0.799 -5.783 -5.783 140 HD1 PHE 19 2HD PHE 19 -3.145 -3.880 -3.880 141 HD2 PHE 19 1HD PHE 19 -2.906 -7.857 -7.857 142 HE1 PHE 19 2HE PHE 19 -5.443 -4.301 -4.301 143 HE2 PHE 19 1HE PHE 19 -5.206 -8.285 -8.285 144 HZ PHE 19 HZ PHE 19 -6.478 -6.506 -6.506 145 H ASN 20 HN ASN 20 0.734 -3.866 -3.866 146 HA ASN 20 HA ASN 20 2.676 -3.653 -3.653 147 1HB ASN 20 2HB ASN 20 2.494 -2.081 -2.081 148 2HB ASN 20 1HB ASN 20 3.996 -2.194 -2.194 149 1HD2 ASN 20 2HD2 ASN 20 1.089 0.328 0.328 150 2HD2 ASN 20 1HD2 ASN 20 1.011 -0.640 -0.640 151 H ALA 21 HN ALA 21 4.081 -5.246 -5.246 152 HA ALA 21 HA ALA 21 4.331 -7.302 -7.302 153 1HB ALA 21 1HB ALA 21 5.550 -6.571 -6.571 154 2HB ALA 21 3HB ALA 21 6.881 -6.738 -6.738 155 3HB ALA 21 2HB ALA 21 5.772 -8.083 -8.083 156 HA PRO 22 HA PRO 22 6.677 -8.528 -8.528 157 1HB PRO 22 2HB PRO 22 7.583 -9.834 -9.834 158 2HB PRO 22 1HB PRO 22 8.626 -8.762 -8.762 159 1HG PRO 22 2HG PRO 22 7.197 -8.229 -8.229 160 2HG PRO 22 1HG PRO 22 8.859 -7.818 -7.818 161 1HD PRO 22 2HD PRO 22 6.793 -6.037 -6.037 162 2HD PRO 22 1HD PRO 22 8.205 -5.942 -5.942 163 H TYR 23 HN TYR 23 5.718 -10.621 -10.621 164 HA TYR 23 HA TYR 23 3.267 -10.433 -10.433 165 1HB TYR 23 2HB TYR 23 3.780 -12.075 -12.075 166 2HB TYR 23 1HB TYR 23 2.279 -12.060 -12.060 167 HD1 TYR 23 2HD TYR 23 2.100 -9.131 -9.131 168 HD2 TYR 23 1HD TYR 23 3.082 -11.217 -11.217 169 HE1 TYR 23 2HE TYR 23 1.305 -7.221 -7.221 170 HE2 TYR 23 1HE TYR 23 2.291 -9.312 -9.312 171 HH TYR 23 HH TYR 23 1.664 -6.267 -6.267 172 H ASP 24 HN ASP 24 5.659 -11.187 -11.187 173 HA ASP 24 HA ASP 24 5.374 -14.095 -14.095 174 1HB ASP 24 2HB ASP 24 7.627 -12.964 -12.964 175 2HB ASP 24 1HB ASP 24 7.692 -12.506 -12.506 176 H ASP 25 HN ASP 25 4.122 -11.460 -11.460 177 HA ASP 25 HA ASP 25 3.944 -12.732 -12.732 178 1HB ASP 25 2HB ASP 25 5.689 -10.599 -10.599 179 2HB ASP 25 1HB ASP 25 4.255 -9.856 -9.856 180 H LYS 26 HN LYS 26 2.632 -10.576 -10.576 181 HA LYS 26 HA LYS 26 0.084 -10.649 -10.649 182 1HB LYS 26 2HB LYS 26 0.698 -10.050 -10.050 183 2HB LYS 26 1HB LYS 26 -0.912 -10.025 -10.025 184 1HG LYS 26 2HG LYS 26 -1.123 -12.227 -12.227 185 2HG LYS 26 1HG LYS 26 0.457 -12.514 -12.514 186 1HD LYS 26 2HD LYS 26 1.314 -13.012 -13.012 187 2HD LYS 26 1HD LYS 26 0.824 -11.439 -11.439 188 1HE LYS 26 2HE LYS 26 -1.545 -12.707 -12.707 189 2HE LYS 26 1HE LYS 26 -0.467 -14.084 -14.084 190 1HZ LYS 26 2HZ LYS 26 -0.051 -11.685 -11.685 191 2HZ LYS 26 1HZ LYS 26 -1.338 -12.709 -12.709 192 3HZ LYS 26 3HZ LYS 26 0.246 -13.307 -13.307 193 H HIS 27 HN HIS 27 -0.339 -8.928 -8.928 194 HA HIS 27 HA HIS 27 0.516 -6.281 -6.281 195 1HB HIS 27 2HB HIS 27 0.280 -7.443 -7.443 196 2HB HIS 27 1HB HIS 27 0.075 -5.708 -5.708 197 HD1 HIS 27 1HD HIS 27 2.566 -7.357 -7.357 198 HD2 HIS 27 2HD HIS 27 2.484 -5.361 -5.361 199 HE1 HIS 27 1HE HIS 27 4.967 -6.784 -6.784 200 H THR 28 HN THR 28 -1.065 -5.037 -5.037 201 HA THR 28 HA THR 28 -3.816 -5.588 -5.588 202 HB THR 28 HB THR 28 -3.277 -3.763 -3.763 203 HG1 THR 28 1HG THR 28 -2.972 -6.569 -6.569 204 1HG2 THR 28 3HG2 THR 28 -5.451 -5.349 -5.349 205 2HG2 THR 28 2HG2 THR 28 -5.029 -5.838 -5.838 206 3HG2 THR 28 1HG2 THR 28 -5.421 -4.153 -4.153 207 H TYR 29 HN TYR 29 -4.564 -4.315 -4.315 208 HA TYR 29 HA TYR 29 -3.617 -1.534 -1.534 209 1HB TYR 29 2HB TYR 29 -5.126 -3.005 -3.005 210 2HB TYR 29 1HB TYR 29 -4.151 -1.547 -1.547 211 HD1 TYR 29 1HD TYR 29 -4.010 -5.203 -5.203 212 HD2 TYR 29 2HD TYR 29 -1.801 -1.672 -1.672 213 HE1 TYR 29 1HE TYR 29 -2.069 -6.577 -6.577 214 HE2 TYR 29 2HE TYR 29 0.146 -3.037 -3.037 215 HH TYR 29 HH TYR 29 -0.053 -6.522 -6.522 216 H HIS 30 HN HIS 30 -4.940 -0.136 -0.136 217 HA HIS 30 HA HIS 30 -7.734 -0.758 -0.758 218 1HB HIS 30 2HB HIS 30 -6.189 1.723 1.723 219 2HB HIS 30 1HB HIS 30 -7.808 1.299 1.299 220 HD1 HIS 30 1HD HIS 30 -5.884 1.725 1.725 221 HD2 HIS 30 2HD HIS 30 -6.234 -1.938 -1.938 222 HE1 HIS 30 1HE HIS 30 -4.980 -0.010 -0.010 223 H ILE 31 HN ILE 31 -9.482 0.353 0.353 224 HA ILE 31 HA ILE 31 -8.934 2.123 2.123 225 HB ILE 31 HB ILE 31 -11.478 0.554 0.554 226 1HG1 ILE 31 2HG1 ILE 31 -8.873 -0.385 -0.385 227 2HG1 ILE 31 1HG1 ILE 31 -9.773 -1.141 -1.141 228 1HG2 ILE 31 2HG2 ILE 31 -10.011 1.706 1.706 229 2HG2 ILE 31 1HG2 ILE 31 -11.522 0.800 0.800 230 3HG2 ILE 31 3HG2 ILE 31 -11.469 2.355 2.355 231 1HD1 ILE 31 2HD1 ILE 31 -10.727 -0.902 -0.902 232 2HD1 ILE 31 1HD1 ILE 31 -10.008 -2.340 -2.340 233 3HD1 ILE 31 3HD1 ILE 31 -11.551 -1.732 -1.732 234 H LYS 32 HN LYS 32 -10.192 3.980 3.980 235 HA LYS 32 HA LYS 32 -11.476 4.865 4.865 236 1HB LYS 32 2HB LYS 32 -9.708 6.163 6.163 237 2HB LYS 32 1HB LYS 32 -11.140 6.653 6.653 238 1HG LYS 32 2HG LYS 32 -12.111 7.500 7.500 239 2HG LYS 32 1HG LYS 32 -10.590 7.114 7.114 240 1HD LYS 32 2HD LYS 32 -9.440 8.796 8.796 241 2HD LYS 32 1HD LYS 32 -10.532 8.806 8.806 242 1HE LYS 32 2HE LYS 32 -12.174 9.528 9.528 243 2HE LYS 32 1HE LYS 32 -10.650 10.315 10.315 244 1HZ LYS 32 1HZ LYS 32 -10.643 11.255 11.255 245 2HZ LYS 32 3HZ LYS 32 -12.191 10.617 10.617 246 3HZ LYS 32 2HZ LYS 32 -11.937 11.795 11.795 247 H ILE 33 HN ILE 33 -13.594 5.120 5.120 248 HA ILE 33 HA ILE 33 -15.306 5.141 5.141 249 HB ILE 33 HB ILE 33 -15.956 3.702 3.702 250 1HG1 ILE 33 2HG1 ILE 33 -15.315 2.504 2.504 251 2HG1 ILE 33 1HG1 ILE 33 -14.149 2.632 2.632 252 1HG2 ILE 33 3HG2 ILE 33 -17.421 3.998 3.998 253 2HG2 ILE 33 2HG2 ILE 33 -17.824 2.771 2.771 254 3HG2 ILE 33 1HG2 ILE 33 -17.959 4.481 4.481 255 1HD1 ILE 33 2HD1 ILE 33 -16.245 1.399 1.399 256 2HD1 ILE 33 1HD1 ILE 33 -16.323 0.734 0.734 257 3HD1 ILE 33 3HD1 ILE 33 -14.841 0.584 0.584 258 H THR 34 HN THR 34 -17.290 6.293 6.293 259 HA THR 34 HA THR 34 -17.768 7.793 7.793 260 HB THR 34 HB THR 34 -17.030 9.144 9.144 261 HG1 THR 34 1HG THR 34 -15.368 9.976 9.976 262 1HG2 THR 34 3HG2 THR 34 -18.964 10.272 10.272 263 2HG2 THR 34 2HG2 THR 34 -17.999 10.483 10.483 264 3HG2 THR 34 1HG2 THR 34 -17.502 11.260 11.260 265 H ASN 35 HN ASN 35 -19.798 8.896 8.896 266 HA ASN 35 HA ASN 35 -21.761 7.615 7.615 267 1HB ASN 35 2HB ASN 35 -21.740 8.609 8.609 268 2HB ASN 35 1HB ASN 35 -23.146 9.172 9.172 269 1HD2 ASN 35 2HD2 ASN 35 -24.676 6.214 6.214 270 2HD2 ASN 35 1HD2 ASN 35 -24.597 7.934 7.934 271 H ALA 36 HN ALA 36 -21.870 8.714 8.714 272 HA ALA 36 HA ALA 36 -21.903 11.623 11.623 273 1HB ALA 36 3HB ALA 36 -20.955 9.715 9.715 274 2HB ALA 36 2HB ALA 36 -22.384 10.375 10.375 275 3HB ALA 36 1HB ALA 36 -21.080 11.450 11.450 276 H GLY 37 HN GLY 37 -24.178 9.776 9.776 277 1HA GLY 37 2HA GLY 37 -26.298 10.763 10.763 278 2HA GLY 37 1HA GLY 37 -26.460 9.417 9.417 279 H GLY 38 HN GLY 38 -28.307 10.279 10.279 280 1HA GLY 38 2HA GLY 38 -27.832 12.726 12.726 281 2HA GLY 38 1HA GLY 38 -29.406 12.269 12.269 282 H ARG 39 HN ARG 39 -28.877 9.410 9.410 283 HA ARG 39 HA ARG 39 -29.165 9.603 9.603 284 1HB ARG 39 2HB ARG 39 -30.706 7.734 7.734 285 2HB ARG 39 1HB ARG 39 -30.887 7.894 7.894 286 1HG ARG 39 2HG ARG 39 -31.857 10.038 10.038 287 2HG ARG 39 1HG ARG 39 -31.398 10.162 10.162 288 1HD ARG 39 2HD ARG 39 -32.910 7.816 7.816 289 2HD ARG 39 1HD ARG 39 -33.760 9.014 9.014 290 HE ARG 39 HE ARG 39 -33.624 8.929 8.929 291 1HH1 ARG 39 1HH2 ARG 39 -33.650 11.141 11.141 292 2HH1 ARG 39 2HH2 ARG 39 -34.346 12.441 12.441 293 1HH2 ARG 39 1HH1 ARG 39 -34.540 10.635 10.635 294 2HH2 ARG 39 2HH1 ARG 39 -34.852 12.154 12.154 295 H ARG 40 HN ARG 40 -28.740 7.535 7.535 296 HA ARG 40 HA ARG 40 -26.237 6.511 6.511 297 1HB ARG 40 2HB ARG 40 -26.710 4.767 4.767 298 2HB ARG 40 1HB ARG 40 -27.368 6.297 6.297 299 1HG ARG 40 2HG ARG 40 -29.584 5.528 5.528 300 2HG ARG 40 1HG ARG 40 -28.840 3.932 3.932 301 1HD ARG 40 2HD ARG 40 -30.050 4.020 4.020 302 2HD ARG 40 1HD ARG 40 -28.326 4.039 4.039 303 HE ARG 40 HE ARG 40 -29.038 6.675 6.675 304 1HH1 ARG 40 1HH2 ARG 40 -30.126 3.889 3.889 305 2HH1 ARG 40 2HH2 ARG 40 -30.613 4.808 4.808 306 1HH2 ARG 40 1HH1 ARG 40 -29.675 7.892 7.892 307 2HH2 ARG 40 2HH1 ARG 40 -30.357 7.082 7.082 308 H ILE 41 HN ILE 41 -25.742 4.134 4.134 309 HA ILE 41 HA ILE 41 -27.596 2.799 2.799 310 HB ILE 41 HB ILE 41 -26.085 2.679 2.679 311 1HG1 ILE 41 2HG1 ILE 41 -24.305 4.456 4.456 312 2HG1 ILE 41 1HG1 ILE 41 -23.944 2.833 2.833 313 1HG2 ILE 41 3HG2 ILE 41 -27.731 4.589 4.589 314 2HG2 ILE 41 2HG2 ILE 41 -26.333 5.582 5.582 315 3HG2 ILE 41 1HG2 ILE 41 -26.444 4.830 4.830 316 1HD1 ILE 41 3HD1 ILE 41 -23.981 3.683 3.683 317 2HD1 ILE 41 2HD1 ILE 41 -24.251 5.309 5.309 318 3HD1 ILE 41 1HD1 ILE 41 -22.751 4.458 4.458 319 H GLY 42 HN GLY 42 -27.414 0.660 0.660 320 1HA GLY 42 2HA GLY 42 -25.301 -0.442 -0.442 321 2HA GLY 42 1HA GLY 42 -26.680 -1.316 -1.316 322 H TRP 43 HN TRP 43 -23.367 -0.684 -0.684 323 HA TRP 43 HA TRP 43 -23.310 -1.739 -1.739 324 1HB TRP 43 2HB TRP 43 -20.979 -0.940 -0.940 325 2HB TRP 43 1HB TRP 43 -22.110 0.354 0.354 326 HD1 TRP 43 1HD TRP 43 -22.076 1.310 1.310 327 HE1 TRP 43 1HE TRP 43 -20.228 1.285 1.285 328 HE3 TRP 43 3HE TRP 43 -19.062 -2.307 -2.307 329 HZ2 TRP 43 2HZ TRP 43 -17.814 -0.087 -0.087 330 HZ3 TRP 43 3HZ TRP 43 -17.002 -2.917 -2.917 331 HH2 TRP 43 2HH TRP 43 -16.392 -1.830 -1.830 332 H ALA 44 HN ALA 44 -21.759 -3.337 -3.337 333 HA ALA 44 HA ALA 44 -20.576 -4.944 -4.944 334 1HB ALA 44 3HB ALA 44 -22.809 -5.890 -5.890 335 2HB ALA 44 2HB ALA 44 -21.605 -7.021 -7.021 336 3HB ALA 44 1HB ALA 44 -22.599 -6.095 -6.095 337 H ILE 45 HN ILE 45 -18.997 -6.450 -6.450 338 HA ILE 45 HA ILE 45 -18.191 -5.922 -5.922 339 HB ILE 45 HB ILE 45 -16.200 -6.341 -6.341 340 1HG1 ILE 45 2HG1 ILE 45 -17.594 -4.335 -4.335 341 2HG1 ILE 45 1HG1 ILE 45 -15.909 -3.946 -3.946 342 1HG2 ILE 45 2HG2 ILE 45 -16.089 -6.008 -6.008 343 2HG2 ILE 45 1HG2 ILE 45 -15.173 -4.740 -4.740 344 3HG2 ILE 45 3HG2 ILE 45 -14.804 -6.434 -6.434 345 1HD1 ILE 45 2HD1 ILE 45 -17.854 -3.854 -3.854 346 2HD1 ILE 45 1HD1 ILE 45 -17.854 -2.551 -2.551 347 3HD1 ILE 45 3HD1 ILE 45 -16.391 -2.906 -2.906 348 H LYS 46 HN LYS 46 -17.517 -7.621 -7.621 349 HA LYS 46 HA LYS 46 -16.973 -10.174 -10.174 350 1HB LYS 46 2HB LYS 46 -19.002 -9.859 -9.859 351 2HB LYS 46 1HB LYS 46 -18.464 -11.385 -11.385 352 1HG LYS 46 2HG LYS 46 -19.432 -10.799 -10.799 353 2HG LYS 46 1HG LYS 46 -19.896 -9.214 -9.214 354 1HD LYS 46 2HD LYS 46 -21.783 -10.797 -10.797 355 2HD LYS 46 1HD LYS 46 -21.394 -10.248 -10.248 356 1HE LYS 46 2HE LYS 46 -20.587 -12.292 -12.292 357 2HE LYS 46 1HE LYS 46 -20.109 -12.739 -12.739 358 1HZ LYS 46 2HZ LYS 46 -22.899 -12.629 -12.629 359 2HZ LYS 46 1HZ LYS 46 -21.998 -14.038 -14.038 360 3HZ LYS 46 3HZ LYS 46 -22.436 -13.070 -13.070 361 H THR 47 HN THR 47 -15.294 -11.189 -11.189 362 HA THR 47 HA THR 47 -14.280 -10.162 -10.162 363 HB THR 47 HB THR 47 -12.107 -11.004 -11.004 364 HG1 THR 47 1HG THR 47 -13.411 -11.960 -11.960 365 1HG2 THR 47 1HG2 THR 47 -13.503 -9.025 -9.025 366 2HG2 THR 47 3HG2 THR 47 -12.442 -9.917 -9.917 367 3HG2 THR 47 2HG2 THR 47 -11.778 -9.144 -9.144 368 H THR 48 HN THR 48 -13.334 -11.659 -11.659 369 HA THR 48 HA THR 48 -14.967 -13.707 -13.707 370 HB THR 48 HB THR 48 -12.663 -14.583 -14.583 371 HG1 THR 48 1HG THR 48 -11.174 -13.365 -13.365 372 1HG2 THR 48 3HG2 THR 48 -14.166 -12.106 -12.106 373 2HG2 THR 48 2HG2 THR 48 -12.832 -12.748 -12.748 374 3HG2 THR 48 1HG2 THR 48 -14.279 -13.722 -13.722 375 H ASN 49 HN ASN 49 -12.488 -13.764 -13.764 376 HA ASN 49 HA ASN 49 -13.247 -16.498 -16.498 377 1HB ASN 49 2HB ASN 49 -10.604 -15.653 -15.653 378 2HB ASN 49 1HB ASN 49 -10.564 -16.598 -16.598 379 1HD2 ASN 49 2HD2 ASN 49 -10.393 -18.844 -18.844 380 2HD2 ASN 49 1HD2 ASN 49 -9.486 -17.478 -17.478 381 H MET 50 HN MET 50 -13.845 -16.475 -16.475 382 HA MET 50 HA MET 50 -12.895 -14.367 -14.367 383 1HB MET 50 2HB MET 50 -14.972 -16.518 -16.518 384 2HB MET 50 1HB MET 50 -14.614 -15.209 -15.209 385 1HG MET 50 2HG MET 50 -15.113 -13.926 -13.926 386 2HG MET 50 1HG MET 50 -16.293 -15.236 -15.236 387 1HE MET 50 1HE MET 50 -15.542 -11.778 -11.778 388 2HE MET 50 3HE MET 50 -16.330 -11.371 -11.371 389 3HE MET 50 2HE MET 50 -14.816 -12.273 -12.273 390 H ARG 51 HN ARG 51 -11.308 -16.860 -16.860 391 HA ARG 51 HA ARG 51 -10.669 -17.865 -17.865 392 1HB ARG 51 2HB ARG 51 -9.655 -19.801 -19.801 393 2HB ARG 51 1HB ARG 51 -11.356 -19.623 -19.623 394 1HG ARG 51 2HG ARG 51 -10.546 -18.397 -18.397 395 2HG ARG 51 1HG ARG 51 -8.955 -19.056 -19.056 396 1HD ARG 51 2HD ARG 51 -9.989 -20.546 -20.546 397 2HD ARG 51 1HD ARG 51 -10.001 -21.328 -21.328 398 HE ARG 51 HE ARG 51 -12.416 -19.937 -19.937 399 1HH1 ARG 51 1HH2 ARG 51 -10.719 -22.731 -22.731 400 2HH1 ARG 51 2HH2 ARG 51 -12.164 -23.598 -23.598 401 1HH2 ARG 51 1HH1 ARG 51 -14.325 -21.069 -21.069 402 2HH2 ARG 51 2HH1 ARG 51 -14.216 -22.652 -22.652 403 H ARG 52 HN ARG 52 -9.289 -16.595 -16.595 404 HA ARG 52 HA ARG 52 -6.643 -16.458 -16.458 405 1HB ARG 52 2HB ARG 52 -7.569 -15.866 -15.866 406 2HB ARG 52 1HB ARG 52 -5.906 -15.721 -15.721 407 1HG ARG 52 2HG ARG 52 -7.118 -18.319 -18.319 408 2HG ARG 52 1HG ARG 52 -7.000 -17.932 -17.932 409 1HD ARG 52 2HD ARG 52 -4.982 -19.010 -19.010 410 2HD ARG 52 1HD ARG 52 -4.577 -17.294 -17.294 411 HE ARG 52 HE ARG 52 -5.211 -17.915 -17.915 412 1HH1 ARG 52 1HH2 ARG 52 -2.852 -18.912 -18.912 413 2HH1 ARG 52 2HH2 ARG 52 -1.643 -19.295 -19.295 414 1HH2 ARG 52 1HH1 ARG 52 -3.627 -18.418 -18.418 415 2HH2 ARG 52 2HH1 ARG 52 -2.084 -19.015 -19.015 416 H LEU 53 HN LEU 53 -9.321 -14.449 -14.449 417 HA LEU 53 HA LEU 53 -7.788 -12.064 -12.064 418 1HB LEU 53 2HB LEU 53 -10.245 -12.115 -12.115 419 2HB LEU 53 1HB LEU 53 -9.232 -10.730 -10.730 420 HG LEU 53 HG LEU 53 -7.837 -12.998 -12.998 421 1HD1 LEU 53 1HD1 LEU 53 -10.221 -12.735 -12.735 422 2HD1 LEU 53 3HD1 LEU 53 -9.495 -11.322 -11.322 423 3HD1 LEU 53 2HD1 LEU 53 -8.798 -12.922 -12.922 424 1HD2 LEU 53 1HD2 LEU 53 -6.916 -10.698 -10.698 425 2HD2 LEU 53 3HD2 LEU 53 -6.658 -11.284 -11.284 426 3HD2 LEU 53 2HD2 LEU 53 -7.921 -10.097 -10.097 427 H SER 54 HN SER 54 -8.811 -10.539 -10.539 428 HA SER 54 HA SER 54 -11.355 -11.349 -11.349 429 1HB SER 54 2HB SER 54 -9.202 -12.092 -12.092 430 2HB SER 54 1HB SER 54 -9.163 -10.402 -10.402 431 HG SER 54 HG SER 54 -11.165 -10.642 -10.642 432 H VAL 55 HN VAL 55 -12.616 -9.688 -9.688 433 HA VAL 55 HA VAL 55 -11.557 -6.963 -6.963 434 HB VAL 55 HB VAL 55 -14.137 -6.573 -6.573 435 1HG1 VAL 55 3HG1 VAL 55 -11.796 -5.951 -5.951 436 2HG1 VAL 55 2HG1 VAL 55 -12.245 -7.200 -7.200 437 3HG1 VAL 55 1HG1 VAL 55 -13.287 -5.797 -5.797 438 1HG2 VAL 55 1HG2 VAL 55 -14.196 -9.202 -9.202 439 2HG2 VAL 55 3HG2 VAL 55 -15.040 -8.189 -8.189 440 3HG2 VAL 55 2HG2 VAL 55 -13.471 -8.884 -8.884 441 H ASP 56 HN ASP 56 -11.818 -5.891 -5.891 442 HA ASP 56 HA ASP 56 -14.207 -6.421 -6.421 443 1HB ASP 56 2HB ASP 56 -11.372 -6.271 -6.271 444 2HB ASP 56 1HB ASP 56 -12.807 -6.277 -6.277 445 HA PRO 57 HA PRO 57 -15.300 -5.589 -5.589 446 1HB PRO 57 2HB PRO 57 -17.493 -4.020 -4.020 447 2HB PRO 57 1HB PRO 57 -16.186 -3.832 -3.832 448 1HG PRO 57 2HG PRO 57 -16.731 -2.263 -2.263 449 2HG PRO 57 1HG PRO 57 -16.263 -1.680 -1.680 450 1HD PRO 57 2HD PRO 57 -14.494 -1.961 -1.961 451 2HD PRO 57 1HD PRO 57 -14.038 -2.146 -2.146 452 HA PRO 58 HA PRO 58 -16.824 -7.336 -7.336 453 1HB PRO 58 2HB PRO 58 -18.828 -8.511 -8.511 454 2HB PRO 58 1HB PRO 58 -17.860 -9.302 -9.302 455 1HG PRO 58 2HG PRO 58 -17.207 -9.544 -9.544 456 2HG PRO 58 1HG PRO 58 -15.955 -9.359 -9.359 457 1HD PRO 58 2HD PRO 58 -16.972 -7.375 -7.375 458 2HD PRO 58 1HD PRO 58 -15.338 -7.575 -7.575 459 H CYS 59 HN CYS 59 -19.058 -6.025 -6.025 460 HA CYS 59 HA CYS 59 -20.489 -4.618 -4.618 461 1HB CYS 59 2HB CYS 59 -22.676 -5.369 -5.369 462 2HB CYS 59 1HB CYS 59 -21.698 -6.762 -6.762 463 HG CYS 59 HG CYS 59 -22.914 -6.278 -6.278 464 H GLY 60 HN GLY 60 -22.016 -2.982 -2.982 465 1HA GLY 60 2HA GLY 60 -22.137 -2.277 -2.277 466 2HA GLY 60 1HA GLY 60 -20.702 -1.496 -1.496 467 H VAL 61 HN VAL 61 -23.042 -0.220 -0.220 468 HA VAL 61 HA VAL 61 -24.359 0.921 0.921 469 HB VAL 61 HB VAL 61 -24.909 1.450 1.450 470 1HG1 VAL 61 3HG1 VAL 61 -25.759 2.777 2.777 471 2HG1 VAL 61 2HG1 VAL 61 -27.144 1.897 1.897 472 3HG1 VAL 61 1HG1 VAL 61 -26.279 3.052 3.052 473 1HG2 VAL 61 3HG2 VAL 61 -26.135 -0.502 -0.502 474 2HG2 VAL 61 2HG2 VAL 61 -25.399 -0.835 -0.835 475 3HG2 VAL 61 1HG2 VAL 61 -26.941 0.015 0.015 476 H LEU 62 HN LEU 62 -23.655 2.753 2.753 477 HA LEU 62 HA LEU 62 -21.790 4.420 4.420 478 1HB LEU 62 2HB LEU 62 -21.729 3.499 3.499 479 2HB LEU 62 1HB LEU 62 -22.281 5.152 5.152 480 HG LEU 62 HG LEU 62 -20.306 6.004 6.004 481 1HD1 LEU 62 2HD1 LEU 62 -20.112 3.285 3.285 482 2HD1 LEU 62 1HD1 LEU 62 -18.586 3.856 3.856 483 3HD1 LEU 62 3HD1 LEU 62 -19.371 4.762 4.762 484 1HD2 LEU 62 1HD2 LEU 62 -20.154 5.506 5.506 485 2HD2 LEU 62 3HD2 LEU 62 -18.600 5.295 5.295 486 3HD2 LEU 62 2HD2 LEU 62 -19.568 3.886 3.886 487 H ASP 63 HN ASP 63 -22.043 6.667 6.667 488 HA ASP 63 HA ASP 63 -24.830 7.528 7.528 489 1HB ASP 63 2HB ASP 63 -22.392 8.320 8.320 490 2HB ASP 63 1HB ASP 63 -23.520 9.618 9.618 491 HA PRO 64 HA PRO 64 -24.591 10.328 10.328 492 1HB PRO 64 2HB PRO 64 -25.359 12.628 12.628 493 2HB PRO 64 1HB PRO 64 -26.207 11.908 11.908 494 1HG PRO 64 2HG PRO 64 -27.102 11.603 11.603 495 2HG PRO 64 1HG PRO 64 -27.234 10.300 10.300 496 1HD PRO 64 2HD PRO 64 -25.266 10.631 10.631 497 2HD PRO 64 1HD PRO 64 -26.099 9.165 9.165 498 H LYS 65 HN LYS 65 -22.751 11.019 11.019 499 HA LYS 65 HA LYS 65 -20.855 12.220 12.220 500 1HB LYS 65 2HB LYS 65 -22.354 14.115 14.115 501 2HB LYS 65 1HB LYS 65 -21.595 13.933 13.933 502 1HG LYS 65 2HG LYS 65 -19.864 15.157 15.157 503 2HG LYS 65 1HG LYS 65 -19.584 14.117 14.117 504 1HD LYS 65 2HD LYS 65 -21.595 16.364 16.364 505 2HD LYS 65 1HD LYS 65 -19.989 16.479 16.479 506 1HE LYS 65 2HE LYS 65 -22.097 14.499 14.499 507 2HE LYS 65 1HE LYS 65 -21.827 16.053 16.053 508 1HZ LYS 65 2HZ LYS 65 -19.425 15.221 15.221 509 2HZ LYS 65 1HZ LYS 65 -20.071 13.685 13.685 510 3HZ LYS 65 3HZ LYS 65 -20.599 14.585 14.585 511 H GLU 66 HN GLU 66 -21.125 10.052 10.052 512 HA GLU 66 HA GLU 66 -18.903 10.722 10.722 513 1HB GLU 66 2HB GLU 66 -21.111 8.867 8.867 514 2HB GLU 66 1HB GLU 66 -19.598 8.018 8.018 515 1HG GLU 66 2HG GLU 66 -19.403 10.287 10.287 516 2HG GLU 66 1HG GLU 66 -21.085 9.786 9.786 517 H LYS 67 HN LYS 67 -16.990 9.454 9.454 518 HA LYS 67 HA LYS 67 -16.353 7.972 7.972 519 1HB LYS 67 2HB LYS 67 -14.529 9.772 9.772 520 2HB LYS 67 1HB LYS 67 -14.033 8.804 8.804 521 1HG LYS 67 2HG LYS 67 -14.627 10.422 10.422 522 2HG LYS 67 1HG LYS 67 -16.276 10.389 10.389 523 1HD LYS 67 2HD LYS 67 -15.609 11.897 11.897 524 2HD LYS 67 1HD LYS 67 -13.966 11.937 11.937 525 1HE LYS 67 2HE LYS 67 -15.288 12.645 12.645 526 2HE LYS 67 1HE LYS 67 -16.433 13.234 13.234 527 1HZ LYS 67 2HZ LYS 67 -13.549 13.926 13.926 528 2HZ LYS 67 1HZ LYS 67 -14.747 14.890 14.890 529 3HZ LYS 67 3HZ LYS 67 -14.759 14.603 14.603 530 H VAL 68 HN VAL 68 -14.847 6.247 6.247 531 HA VAL 68 HA VAL 68 -14.124 5.365 5.365 532 HB VAL 68 HB VAL 68 -14.984 3.022 3.022 533 1HG1 VAL 68 1HG1 VAL 68 -15.924 4.503 4.503 534 2HG1 VAL 68 3HG1 VAL 68 -17.042 5.154 5.154 535 3HG1 VAL 68 2HG1 VAL 68 -17.127 3.451 3.451 536 1HG2 VAL 68 3HG2 VAL 68 -15.478 3.566 3.566 537 2HG2 VAL 68 2HG2 VAL 68 -16.860 2.888 2.888 538 3HG2 VAL 68 1HG2 VAL 68 -16.780 4.622 4.622 539 H LEU 69 HN LEU 69 -12.494 3.739 3.739 540 HA LEU 69 HA LEU 69 -11.031 3.540 3.540 541 1HB LEU 69 2HB LEU 69 -10.023 4.778 4.778 542 2HB LEU 69 1HB LEU 69 -9.800 3.184 3.184 543 HG LEU 69 HG LEU 69 -8.303 2.540 2.540 544 1HD1 LEU 69 2HD1 LEU 69 -9.499 4.845 4.845 545 2HD1 LEU 69 1HD1 LEU 69 -7.759 4.666 4.666 546 3HD1 LEU 69 3HD1 LEU 69 -8.844 3.345 3.345 547 1HD2 LEU 69 2HD2 LEU 69 -7.525 4.071 4.071 548 2HD2 LEU 69 1HD2 LEU 69 -6.476 3.918 3.918 549 3HD2 LEU 69 3HD2 LEU 69 -7.490 5.348 5.348 550 H MET 70 HN MET 70 -11.945 1.644 1.644 551 HA MET 70 HA MET 70 -12.175 -0.712 -0.712 552 1HB MET 70 2HB MET 70 -13.671 -0.450 -0.450 553 2HB MET 70 1HB MET 70 -12.332 -0.241 -0.241 554 1HG MET 70 2HG MET 70 -11.650 -2.571 -2.571 555 2HG MET 70 1HG MET 70 -13.065 -2.763 -2.763 556 1HE MET 70 2HE MET 70 -11.868 -1.634 -1.634 557 2HE MET 70 1HE MET 70 -13.267 -1.902 -1.902 558 3HE MET 70 3HE MET 70 -13.274 -0.575 -0.575 559 H ALA 71 HN ALA 71 -11.042 -2.726 -2.726 560 HA ALA 71 HA ALA 71 -8.279 -2.300 -2.300 561 1HB ALA 71 1HB ALA 71 -8.873 -2.659 -2.659 562 2HB ALA 71 3HB ALA 71 -8.728 -4.344 -4.344 563 3HB ALA 71 2HB ALA 71 -7.377 -3.235 -3.235 564 H VAL 72 HN VAL 72 -7.559 -3.682 -3.682 565 HA VAL 72 HA VAL 72 -9.189 -6.070 -6.070 566 HB VAL 72 HB VAL 72 -7.354 -4.585 -4.585 567 1HG1 VAL 72 1HG1 VAL 72 -8.113 -7.189 -7.189 568 2HG1 VAL 72 3HG1 VAL 72 -9.404 -6.399 -6.399 569 3HG1 VAL 72 2HG1 VAL 72 -7.724 -6.176 -6.176 570 1HG2 VAL 72 3HG2 VAL 72 -9.628 -3.544 -3.544 571 2HG2 VAL 72 2HG2 VAL 72 -9.142 -3.441 -3.441 572 3HG2 VAL 72 1HG2 VAL 72 -10.308 -4.662 -4.662 573 H SER 73 HN SER 73 -8.148 -7.535 -7.535 574 HA SER 73 HA SER 73 -5.338 -7.801 -7.801 575 1HB SER 73 2HB SER 73 -7.015 -10.198 -10.198 576 2HB SER 73 1HB SER 73 -5.772 -9.465 -9.465 577 HG SER 73 HG SER 73 -7.320 -8.541 -8.541 578 H CYS 74 HN CYS 74 -3.915 -8.750 -8.750 579 HA CYS 74 HA CYS 74 -4.885 -10.687 -10.687 580 1HB CYS 74 2HB CYS 74 -4.211 -8.189 -8.189 581 2HB CYS 74 1HB CYS 74 -2.618 -8.936 -8.936 582 HG CYS 74 HG CYS 74 -3.311 -9.576 -9.576 583 H ASP 75 HN ASP 75 -4.071 -12.524 -12.524 584 HA ASP 75 HA ASP 75 -1.518 -12.658 -12.658 585 1HB ASP 75 2HB ASP 75 -3.576 -14.689 -14.689 586 2HB ASP 75 1HB ASP 75 -1.991 -15.203 -15.203 587 H THR 76 HN THR 76 0.376 -13.585 -13.585 588 HA THR 76 HA THR 76 1.215 -13.117 -13.117 589 HB THR 76 HB THR 76 2.966 -13.465 -13.465 590 HG1 THR 76 1HG THR 76 3.977 -15.461 -15.461 591 1HG2 THR 76 3HG2 THR 76 1.389 -15.755 -15.755 592 2HG2 THR 76 2HG2 THR 76 3.137 -15.718 -15.718 593 3HG2 THR 76 1HG2 THR 76 2.139 -14.409 -14.409 594 H PHE 77 HN PHE 77 1.930 -14.665 -14.665 595 HA PHE 77 HA PHE 77 0.816 -17.270 -17.270 596 1HB PHE 77 2HB PHE 77 -0.925 -16.988 -16.988 597 2HB PHE 77 1HB PHE 77 -1.216 -15.770 -15.770 598 HD1 PHE 77 2HD PHE 77 0.459 -13.566 -13.566 599 HD2 PHE 77 1HD PHE 77 -1.619 -16.218 -16.218 600 HE1 PHE 77 2HE PHE 77 0.415 -11.823 -11.823 601 HE2 PHE 77 1HE PHE 77 -1.667 -14.480 -14.480 602 HZ PHE 77 HZ PHE 77 -0.649 -12.280 -12.280 603 H ASN 78 HN ASN 78 0.594 -17.504 -17.504 604 HA ASN 78 HA ASN 78 3.371 -16.955 -16.955 605 1HB ASN 78 2HB ASN 78 1.498 -19.212 -19.212 606 2HB ASN 78 1HB ASN 78 2.968 -18.887 -18.887 607 1HD2 ASN 78 2HD2 ASN 78 5.148 -19.882 -19.882 608 2HD2 ASN 78 1HD2 ASN 78 4.977 -18.736 -18.736 609 H ALA 79 HN ALA 79 3.613 -15.454 -15.454 610 HA ALA 79 HA ALA 79 1.366 -14.910 -14.910 611 1HB ALA 79 2HB ALA 79 3.265 -13.189 -13.189 612 2HB ALA 79 1HB ALA 79 2.997 -12.755 -12.755 613 3HB ALA 79 3HB ALA 79 1.633 -12.850 -12.850 614 H ALA 80 HN ALA 80 3.729 -16.876 -16.876 615 HA ALA 80 HA ALA 80 4.974 -15.880 -15.880 616 1HB ALA 80 3HB ALA 80 6.085 -17.152 -17.152 617 2HB ALA 80 2HB ALA 80 5.832 -18.493 -18.493 618 3HB ALA 80 1HB ALA 80 6.788 -17.096 -17.096 619 H THR 81 HN THR 81 2.658 -18.165 -18.165 620 HA THR 81 HA THR 81 2.208 -19.055 -19.055 621 HB THR 81 HB THR 81 1.977 -21.391 -21.391 622 HG1 THR 81 1HG THR 81 2.219 -21.984 -21.984 623 1HG2 THR 81 3HG2 THR 81 4.196 -20.504 -20.504 624 2HG2 THR 81 2HG2 THR 81 4.640 -20.381 -20.381 625 3HG2 THR 81 1HG2 THR 81 4.253 -21.955 -21.955 626 H GLU 82 HN GLU 82 0.673 -17.172 -17.172 627 HA GLU 82 HA GLU 82 -1.896 -18.477 -18.477 628 1HB GLU 82 2HB GLU 82 -0.796 -16.953 -16.953 629 2HB GLU 82 1HB GLU 82 -2.508 -17.282 -17.282 630 1HG GLU 82 2HG GLU 82 -1.963 -19.712 -19.712 631 2HG GLU 82 1HG GLU 82 -0.302 -19.291 -19.291 632 H ASP 83 HN ASP 83 -3.622 -17.089 -17.089 633 HA ASP 83 HA ASP 83 -3.057 -14.872 -14.872 634 1HB ASP 83 2HB ASP 83 -5.607 -15.767 -15.767 635 2HB ASP 83 1HB ASP 83 -5.541 -14.401 -14.401 636 H LEU 84 HN LEU 84 -3.022 -12.695 -12.695 637 HA LEU 84 HA LEU 84 -3.236 -11.829 -11.829 638 1HB LEU 84 2HB LEU 84 -1.511 -10.652 -10.652 639 2HB LEU 84 1HB LEU 84 -1.589 -10.103 -10.103 640 HG LEU 84 HG LEU 84 -0.602 -12.819 -12.819 641 1HD1 LEU 84 1HD1 LEU 84 0.847 -10.291 -10.291 642 2HD1 LEU 84 3HD1 LEU 84 1.608 -11.881 -11.881 643 3HD1 LEU 84 2HD1 LEU 84 0.993 -11.241 -11.241 644 1HD2 LEU 84 3HD2 LEU 84 -1.600 -12.779 -12.779 645 2HD2 LEU 84 2HD2 LEU 84 0.141 -13.056 -13.056 646 3HD2 LEU 84 1HD2 LEU 84 -0.511 -11.467 -11.467 647 H ASN 85 HN ASN 85 -5.333 -11.921 -11.921 648 HA ASN 85 HA ASN 85 -6.223 -9.164 -9.164 649 1HB ASN 85 2HB ASN 85 -5.059 -9.408 -9.408 650 2HB ASN 85 1HB ASN 85 -6.354 -10.512 -10.512 651 1HD2 ASN 85 2HD2 ASN 85 -7.969 -7.735 -7.735 652 2HD2 ASN 85 1HD2 ASN 85 -7.161 -9.233 -9.233 653 H ASN 86 HN ASN 86 -6.921 -11.814 -11.814 654 HA ASN 86 HA ASN 86 -9.656 -12.113 -12.113 655 1HB ASN 86 2HB ASN 86 -7.696 -13.986 -13.986 656 2HB ASN 86 1HB ASN 86 -9.375 -14.230 -14.230 657 1HD2 ASN 86 2HD2 ASN 86 -8.740 -14.343 -14.343 658 2HD2 ASN 86 1HD2 ASN 86 -8.135 -13.038 -13.038 659 H ASP 87 HN ASP 87 -7.782 -11.344 -11.344 660 HA ASP 87 HA ASP 87 -9.797 -11.602 -11.602 661 1HB ASP 87 2HB ASP 87 -7.310 -9.903 -9.903 662 2HB ASP 87 1HB ASP 87 -8.375 -9.896 -9.896 663 H ARG 88 HN ARG 88 -11.459 -10.339 -10.339 664 HA ARG 88 HA ARG 88 -11.593 -7.572 -7.572 665 1HB ARG 88 2HB ARG 88 -13.393 -9.746 -9.746 666 2HB ARG 88 1HB ARG 88 -14.062 -8.140 -8.140 667 1HG ARG 88 2HG ARG 88 -12.476 -7.187 -7.187 668 2HG ARG 88 1HG ARG 88 -11.693 -8.756 -8.756 669 1HD ARG 88 2HD ARG 88 -14.614 -8.450 -8.450 670 2HD ARG 88 1HD ARG 88 -13.426 -7.941 -7.941 671 HE ARG 88 HE ARG 88 -12.717 -10.501 -10.501 672 1HH1 ARG 88 1HH2 ARG 88 -15.461 -8.937 -8.937 673 2HH1 ARG 88 2HH2 ARG 88 -15.932 -10.332 -10.332 674 1HH2 ARG 88 1HH1 ARG 88 -13.326 -12.343 -12.343 675 2HH2 ARG 88 2HH1 ARG 88 -14.717 -12.268 -12.268 676 H ILE 89 HN ILE 89 -12.943 -6.287 -6.287 677 HA ILE 89 HA ILE 89 -14.179 -7.614 -7.614 678 HB ILE 89 HB ILE 89 -12.839 -4.905 -4.905 679 1HG1 ILE 89 2HG1 ILE 89 -11.988 -7.399 -7.399 680 2HG1 ILE 89 1HG1 ILE 89 -11.326 -6.928 -6.928 681 1HG2 ILE 89 3HG2 ILE 89 -14.824 -5.136 -5.136 682 2HG2 ILE 89 2HG2 ILE 89 -13.942 -6.398 -6.398 683 3HG2 ILE 89 1HG2 ILE 89 -13.311 -4.751 -4.751 684 1HD1 ILE 89 2HD1 ILE 89 -10.821 -4.681 -4.681 685 2HD1 ILE 89 1HD1 ILE 89 -10.937 -5.695 -5.695 686 3HD1 ILE 89 3HD1 ILE 89 -9.757 -6.074 -6.074 687 H THR 90 HN THR 90 -16.310 -7.446 -7.446 688 HA THR 90 HA THR 90 -17.546 -5.221 -5.221 689 HB THR 90 HB THR 90 -18.774 -7.751 -7.751 690 HG1 THR 90 1HG THR 90 -18.459 -8.602 -8.602 691 1HG2 THR 90 3HG2 THR 90 -20.205 -5.576 -5.576 692 2HG2 THR 90 2HG2 THR 90 -20.082 -6.197 -6.197 693 3HG2 THR 90 1HG2 THR 90 -20.783 -7.199 -7.199 694 H ILE 91 HN ILE 91 -18.389 -3.546 -3.546 695 HA ILE 91 HA ILE 91 -19.017 -3.808 -3.808 696 HB ILE 91 HB ILE 91 -18.195 -1.294 -1.294 697 1HG1 ILE 91 2HG1 ILE 91 -16.167 -1.651 -1.651 698 2HG1 ILE 91 1HG1 ILE 91 -16.647 -3.341 -3.341 699 1HG2 ILE 91 3HG2 ILE 91 -19.165 -1.881 -1.881 700 2HG2 ILE 91 2HG2 ILE 91 -17.792 -0.780 -0.780 701 3HG2 ILE 91 1HG2 ILE 91 -19.293 -0.407 -0.407 702 1HD1 ILE 91 1HD1 ILE 91 -16.371 -1.881 -1.881 703 2HD1 ILE 91 3HD1 ILE 91 -14.887 -2.187 -2.187 704 3HD1 ILE 91 2HD1 ILE 91 -15.920 -3.533 -3.533 705 H GLU 92 HN GLU 92 -21.144 -3.867 -3.867 706 HA GLU 92 HA GLU 92 -22.870 -2.273 -2.273 707 1HB GLU 92 2HB GLU 92 -23.880 -4.499 -4.499 708 2HB GLU 92 1HB GLU 92 -24.573 -3.849 -3.849 709 1HG GLU 92 2HG GLU 92 -22.711 -4.833 -4.833 710 2HG GLU 92 1HG GLU 92 -22.091 -5.536 -5.536 711 H TRP 93 HN TRP 93 -24.708 -1.213 -1.213 712 HA TRP 93 HA TRP 93 -24.843 -0.919 -0.919 713 1HB TRP 93 2HB TRP 93 -24.399 1.431 1.431 714 2HB TRP 93 1HB TRP 93 -23.042 0.678 0.678 715 HD1 TRP 93 1HD TRP 93 -25.441 3.460 3.460 716 HE1 TRP 93 1HE TRP 93 -25.324 4.480 4.480 717 HE3 TRP 93 3HE TRP 93 -22.712 -0.184 -0.184 718 HZ2 TRP 93 2HZ TRP 93 -24.219 3.827 3.827 719 HZ3 TRP 93 3HZ TRP 93 -22.167 0.090 0.090 720 HH2 TRP 93 2HH TRP 93 -22.907 2.055 2.055 721 H THR 94 HN THR 94 -26.895 -0.633 -0.633 722 HA THR 94 HA THR 94 -28.780 0.524 0.524 723 HB THR 94 HB THR 94 -29.136 -1.850 -1.850 724 HG1 THR 94 1HG THR 94 -31.285 -1.944 -1.944 725 1HG2 THR 94 1HG2 THR 94 -28.211 -2.017 -2.017 726 2HG2 THR 94 3HG2 THR 94 -29.944 -2.214 -2.214 727 3HG2 THR 94 2HG2 THR 94 -29.084 -3.299 -3.299 728 H ASN 95 HN ASN 95 -30.197 1.973 1.973 729 HA ASN 95 HA ASN 95 -29.771 3.202 3.202 730 1HB ASN 95 2HB ASN 95 -31.270 3.776 3.776 731 2HB ASN 95 1HB ASN 95 -32.527 3.397 3.397 732 1HD2 ASN 95 2HD2 ASN 95 -31.585 7.027 7.027 733 2HD2 ASN 95 1HD2 ASN 95 -31.985 5.933 5.933 734 H THR 96 HN THR 96 -30.628 3.008 3.008 735 HA THR 96 HA THR 96 -31.829 0.494 0.494 736 HB THR 96 HB THR 96 -31.765 1.355 1.355 737 HG1 THR 96 1HG THR 96 -31.496 3.396 3.396 738 1HG2 THR 96 1HG2 THR 96 -29.282 1.658 1.658 739 2HG2 THR 96 3HG2 THR 96 -29.288 1.898 1.898 740 3HG2 THR 96 2HG2 THR 96 -29.749 0.336 0.336 741 HA PRO 97 HA PRO 97 -36.124 1.500 1.500 742 1HB PRO 97 2HB PRO 97 -36.390 -0.052 -0.052 743 2HB PRO 97 1HB PRO 97 -37.254 -0.238 -0.238 744 1HG PRO 97 2HG PRO 97 -35.338 -1.951 -1.951 745 2HG PRO 97 1HG PRO 97 -35.518 -1.414 -1.414 746 1HD PRO 97 2HD PRO 97 -33.504 -0.600 -0.600 747 2HD PRO 97 1HD PRO 97 -33.313 -0.810 -0.810 748 H ASP 98 HN ASP 98 -37.868 2.531 2.531 749 HA ASP 98 HA ASP 98 -37.131 4.847 4.847 750 1HB ASP 98 2HB ASP 98 -39.704 3.278 3.278 751 2HB ASP 98 1HB ASP 98 -39.524 4.841 4.841 752 H GLY 99 HN GLY 99 -35.852 4.898 4.898 753 1HA GLY 99 2HA GLY 99 -35.066 4.505 4.505 754 2HA GLY 99 1HA GLY 99 -36.766 4.388 4.388 755 H ALA 100 HN ALA 100 -34.661 2.307 2.307 756 HA ALA 100 HA ALA 100 -35.766 -0.103 -0.103 757 1HB ALA 100 3HB ALA 100 -33.375 0.734 0.734 758 2HB ALA 100 2HB ALA 100 -33.199 -0.802 -0.802 759 3HB ALA 100 1HB ALA 100 -34.501 -0.585 -0.585 760 H ALA 101 HN ALA 101 -32.408 0.683 0.683 761 HA ALA 101 HA ALA 101 -32.647 0.715 0.715 762 1HB ALA 101 1HB ALA 101 -32.308 -2.003 -2.003 763 2HB ALA 101 3HB ALA 101 -31.618 -1.621 -1.621 764 3HB ALA 101 2HB ALA 101 -33.358 -1.488 -1.488 765 H LYS 102 HN LYS 102 -30.568 0.394 0.394 766 HA LYS 102 HA LYS 102 -28.410 1.380 1.380 767 1HB LYS 102 2HB LYS 102 -28.997 1.441 1.441 768 2HB LYS 102 1HB LYS 102 -27.316 1.528 1.528 769 1HG LYS 102 2HG LYS 102 -28.125 3.422 3.422 770 2HG LYS 102 1HG LYS 102 -29.539 3.460 3.460 771 1HD LYS 102 2HD LYS 102 -28.232 4.005 4.005 772 2HD LYS 102 1HD LYS 102 -26.727 3.606 3.606 773 1HE LYS 102 2HE LYS 102 -26.579 5.637 5.637 774 2HE LYS 102 1HE LYS 102 -28.287 5.656 5.656 775 1HZ LYS 102 1HZ LYS 102 -28.757 6.196 6.196 776 2HZ LYS 102 3HZ LYS 102 -27.093 6.382 6.382 777 3HZ LYS 102 2HZ LYS 102 -27.909 7.401 7.401 778 H GLN 103 HN GLN 103 -28.328 -0.813 -0.813 779 HA GLN 103 HA GLN 103 -26.016 -2.144 -2.144 780 1HB GLN 103 2HB GLN 103 -27.046 -4.314 -4.314 781 2HB GLN 103 1HB GLN 103 -26.804 -2.972 -2.972 782 1HG GLN 103 2HG GLN 103 -29.347 -2.543 -2.543 783 2HG GLN 103 1HG GLN 103 -29.251 -4.299 -4.299 784 1HE2 GLN 103 2HE2 GLN 103 -28.399 -3.995 -3.995 785 2HE2 GLN 103 1HE2 GLN 103 -27.623 -4.615 -4.615 786 H PHE 104 HN PHE 104 -25.501 -3.671 -3.671 787 HA PHE 104 HA PHE 104 -26.828 -3.681 -3.681 788 1HB PHE 104 2HB PHE 104 -24.463 -4.474 -4.474 789 2HB PHE 104 1HB PHE 104 -25.176 -6.006 -6.006 790 HD1 PHE 104 1HD PHE 104 -25.080 -3.636 -3.636 791 HD2 PHE 104 2HD PHE 104 -25.510 -7.666 -7.666 792 HE1 PHE 104 1HE PHE 104 -25.069 -4.387 -4.387 793 HE2 PHE 104 2HE PHE 104 -25.499 -8.425 -8.425 794 HZ PHE 104 HZ PHE 104 -25.278 -6.784 -6.784 795 H ARG 105 HN ARG 105 -28.389 -4.885 -4.885 796 HA ARG 105 HA ARG 105 -29.625 -7.024 -7.024 797 1HB ARG 105 2HB ARG 105 -30.784 -4.561 -4.561 798 2HB ARG 105 1HB ARG 105 -31.502 -5.686 -5.686 799 1HG ARG 105 2HG ARG 105 -32.972 -5.994 -5.994 800 2HG ARG 105 1HG ARG 105 -31.744 -7.128 -7.128 801 1HD ARG 105 2HD ARG 105 -31.052 -5.745 -5.745 802 2HD ARG 105 1HD ARG 105 -31.511 -4.279 -4.279 803 HE ARG 105 HE ARG 105 -33.862 -5.611 -5.611 804 1HH1 ARG 105 1HH2 ARG 105 -31.219 -4.179 -4.179 805 2HH1 ARG 105 2HH2 ARG 105 -32.187 -3.775 -3.775 806 1HH2 ARG 105 1HH1 ARG 105 -35.145 -5.083 -5.083 807 2HH2 ARG 105 2HH1 ARG 105 -34.418 -4.289 -4.289 808 H ARG 106 HN ARG 106 -30.561 -8.747 -8.747 809 HA ARG 106 HA ARG 106 -29.441 -9.057 -9.057 810 1HB ARG 106 2HB ARG 106 -29.031 -10.739 -10.739 811 2HB ARG 106 1HB ARG 106 -30.703 -11.231 -11.231 812 1HG ARG 106 2HG ARG 106 -29.851 -11.381 -11.381 813 2HG ARG 106 1HG ARG 106 -28.334 -11.704 -11.704 814 1HD ARG 106 2HD ARG 106 -29.405 -13.502 -13.502 815 2HD ARG 106 1HD ARG 106 -30.933 -13.171 -13.171 816 HE ARG 106 HE ARG 106 -28.854 -13.705 -13.705 817 1HH1 ARG 106 1HH2 ARG 106 -31.046 -15.235 -15.235 818 2HH1 ARG 106 2HH2 ARG 106 -31.072 -16.741 -16.741 819 1HH2 ARG 106 1HH1 ARG 106 -28.879 -15.683 -15.683 820 2HH2 ARG 106 2HH1 ARG 106 -29.838 -16.995 -16.995 821 H GLU 107 HN GLU 107 -31.927 -7.540 -7.540 822 HA GLU 107 HA GLU 107 -33.818 -9.105 -9.105 823 1HB GLU 107 2HB GLU 107 -35.628 -7.861 -7.861 824 2HB GLU 107 1HB GLU 107 -34.656 -8.731 -8.731 825 1HG GLU 107 2HG GLU 107 -33.776 -6.819 -6.819 826 2HG GLU 107 1HG GLU 107 -33.994 -5.892 -5.892 827 H TRP 108 HN TRP 108 -31.938 -6.259 -6.259 828 HA TRP 108 HA TRP 108 -33.525 -4.564 -4.564 829 1HB TRP 108 2HB TRP 108 -30.533 -4.532 -4.532 830 2HB TRP 108 1HB TRP 108 -31.489 -3.217 -3.217 831 HD1 TRP 108 1HD TRP 108 -33.849 -3.866 -3.866 832 HE1 TRP 108 1HE TRP 108 -33.435 -2.788 -2.788 833 HE3 TRP 108 3HE TRP 108 -28.842 -2.922 -2.922 834 HZ2 TRP 108 2HZ TRP 108 -31.273 -1.684 -1.684 835 HZ3 TRP 108 3HZ TRP 108 -27.678 -1.852 -1.852 836 HH2 TRP 108 2HH TRP 108 -28.869 -1.245 -1.245 837 H PHE 109 HN PHE 109 -31.547 -7.279 -7.279 838 HA PHE 109 HA PHE 109 -31.485 -6.543 -6.543 839 1HB PHE 109 2HB PHE 109 -29.837 -8.661 -8.661 840 2HB PHE 109 1HB PHE 109 -29.650 -8.096 -8.096 841 HD1 PHE 109 1HD PHE 109 -29.670 -6.743 -6.743 842 HD2 PHE 109 2HD PHE 109 -28.003 -6.562 -6.562 843 HE1 PHE 109 1HE PHE 109 -28.068 -5.042 -5.042 844 HE2 PHE 109 2HE PHE 109 -26.396 -4.859 -4.859 845 HZ PHE 109 HZ PHE 109 -26.427 -4.098 -4.098 846 H GLN 110 HN GLN 110 -33.816 -7.626 -7.626 847 HA GLN 110 HA GLN 110 -34.032 -10.227 -10.227 848 1HB GLN 110 2HB GLN 110 -35.684 -10.891 -10.891 849 2HB GLN 110 1HB GLN 110 -34.248 -10.335 -10.335 850 1HG GLN 110 2HG GLN 110 -35.559 -9.016 -9.016 851 2HG GLN 110 1HG GLN 110 -35.837 -8.069 -8.069 852 1HE2 GLN 110 2HE2 GLN 110 -38.617 -10.912 -10.912 853 2HE2 GLN 110 1HE2 GLN 110 -36.936 -11.195 -11.195 854 H GLY 111 HN GLY 111 -35.296 -7.031 -7.031 855 1HA GLY 111 2HA GLY 111 -37.852 -7.562 -7.562 856 2HA GLY 111 1HA GLY 111 -37.110 -5.983 -5.983 857 H ASP 112 HN ASP 112 -38.394 -6.050 -6.050 858 HA ASP 112 HA ASP 112 -36.654 -7.002 -7.002 859 1HB ASP 112 2HB ASP 112 -39.533 -6.383 -6.383 860 2HB ASP 112 1HB ASP 112 -38.797 -5.929 -5.929 861 H GLY 113 HN GLY 113 -35.358 -5.664 -5.664 862 1HA GLY 113 2HA GLY 113 -34.687 -3.693 -3.693 863 2HA GLY 113 1HA GLY 113 -36.053 -2.864 -2.864 864 H MET 114 HN MET 114 -34.208 -1.240 -1.240 865 HA MET 114 HA MET 114 -32.791 -0.070 -0.070 866 1HB MET 114 2HB MET 114 -34.174 -1.825 -1.825 867 2HB MET 114 1HB MET 114 -32.980 -0.622 -0.622 868 1HG MET 114 2HG MET 114 -34.430 1.048 1.048 869 2HG MET 114 1HG MET 114 -35.019 0.460 0.460 870 1HE MET 114 3HE MET 114 -36.318 1.976 1.976 871 2HE MET 114 2HE MET 114 -37.873 1.422 1.422 872 3HE MET 114 1HE MET 114 -37.445 1.136 1.136 873 H VAL 115 HN VAL 115 -30.873 -0.222 -0.222 874 HA VAL 115 HA VAL 115 -28.926 -1.196 -1.196 875 HB VAL 115 HB VAL 115 -29.745 -3.843 -3.843 876 1HG1 VAL 115 3HG1 VAL 115 -27.407 -3.107 -3.107 877 2HG1 VAL 115 2HG1 VAL 115 -28.261 -3.592 -3.592 878 3HG1 VAL 115 1HG1 VAL 115 -28.062 -4.739 -4.739 879 1HG2 VAL 115 3HG2 VAL 115 -31.132 -2.420 -2.420 880 2HG2 VAL 115 2HG2 VAL 115 -31.412 -4.060 -4.060 881 3HG2 VAL 115 1HG2 VAL 115 -30.294 -3.777 -3.777 882 H ARG 116 HN ARG 116 -27.314 -0.405 -0.405 883 HA ARG 116 HA ARG 116 -27.083 -1.133 -1.133 884 1HB ARG 116 2HB ARG 116 -25.836 1.083 1.083 885 2HB ARG 116 1HB ARG 116 -25.383 0.739 0.739 886 1HG ARG 116 2HG ARG 116 -28.262 1.042 1.042 887 2HG ARG 116 1HG ARG 116 -27.319 2.489 2.489 888 1HD ARG 116 2HD ARG 116 -26.449 1.205 1.205 889 2HD ARG 116 1HD ARG 116 -28.154 1.653 1.653 890 HE ARG 116 HE ARG 116 -26.640 3.808 3.808 891 1HH1 ARG 116 1HH2 ARG 116 -27.251 2.069 2.069 892 2HH1 ARG 116 2HH2 ARG 116 -26.921 3.429 3.429 893 1HH2 ARG 116 1HH1 ARG 116 -26.199 5.604 5.604 894 2HH2 ARG 116 2HH1 ARG 116 -26.322 5.438 5.438 895 H ARG 117 HN ARG 117 -25.076 -1.841 -1.841 896 HA ARG 117 HA ARG 117 -23.283 -3.040 -3.040 897 1HB ARG 117 2HB ARG 117 -24.553 -4.762 -4.762 898 2HB ARG 117 1HB ARG 117 -24.085 -4.111 -4.111 899 1HG ARG 117 2HG ARG 117 -21.795 -4.735 -4.735 900 2HG ARG 117 1HG ARG 117 -22.155 -5.237 -5.237 901 1HD ARG 117 2HD ARG 117 -23.379 -6.473 -6.473 902 2HD ARG 117 1HD ARG 117 -21.971 -7.119 -7.119 903 HE ARG 117 HE ARG 117 -24.278 -6.737 -6.737 904 1HH1 ARG 117 1HH2 ARG 117 -22.609 -8.908 -8.908 905 2HH1 ARG 117 2HH2 ARG 117 -23.331 -10.334 -10.334 906 1HH2 ARG 117 1HH1 ARG 117 -25.237 -8.609 -8.609 907 2HH2 ARG 117 2HH1 ARG 117 -24.826 -10.163 -10.163 908 H LYS 118 HN LYS 118 -21.113 -2.853 -2.853 909 HA LYS 118 HA LYS 118 -20.154 -1.355 -1.355 910 1HB LYS 118 2HB LYS 118 -20.294 -0.246 -0.246 911 2HB LYS 118 1HB LYS 118 -18.707 -0.996 -0.996 912 1HG LYS 118 2HG LYS 118 -17.807 0.363 0.363 913 2HG LYS 118 1HG LYS 118 -19.362 0.651 0.651 914 1HD LYS 118 2HD LYS 118 -19.964 2.292 2.292 915 2HD LYS 118 1HD LYS 118 -18.937 1.649 1.649 916 1HE LYS 118 2HE LYS 118 -17.709 3.482 3.482 917 2HE LYS 118 1HE LYS 118 -17.021 2.308 2.308 918 1HZ LYS 118 3HZ LYS 118 -19.037 3.227 3.227 919 2HZ LYS 118 2HZ LYS 118 -18.717 4.609 4.609 920 3HZ LYS 118 1HZ LYS 118 -17.494 3.923 3.923 921 H ASN 119 HN ASN 119 -17.831 -1.629 -1.629 922 HA ASN 119 HA ASN 119 -16.808 -4.212 -4.212 923 1HB ASN 119 2HB ASN 119 -16.490 -3.302 -3.302 924 2HB ASN 119 1HB ASN 119 -16.160 -4.894 -4.894 925 1HD2 ASN 119 2HD2 ASN 119 -19.644 -5.750 -5.750 926 2HD2 ASN 119 1HD2 ASN 119 -18.191 -5.818 -5.818 927 H LEU 120 HN LEU 120 -14.533 -4.452 -4.452 928 HA LEU 120 HA LEU 120 -12.965 -2.024 -2.024 929 1HB LEU 120 2HB LEU 120 -13.659 -3.049 -3.049 930 2HB LEU 120 1HB LEU 120 -11.937 -3.280 -3.280 931 HG LEU 120 HG LEU 120 -12.015 -0.754 -0.754 932 1HD1 LEU 120 3HD1 LEU 120 -14.657 -1.227 -1.227 933 2HD1 LEU 120 2HD1 LEU 120 -13.794 0.125 0.125 934 3HD1 LEU 120 1HD1 LEU 120 -14.075 0.100 0.100 935 1HD2 LEU 120 2HD2 LEU 120 -11.127 -2.066 -2.066 936 2HD2 LEU 120 1HD2 LEU 120 -11.002 -0.319 -0.319 937 3HD2 LEU 120 3HD2 LEU 120 -12.320 -1.001 -1.001 938 HA PRO 121 HA PRO 121 -10.842 -5.579 -5.579 939 1HB PRO 121 2HB PRO 121 -9.276 -3.977 -3.977 940 2HB PRO 121 1HB PRO 121 -10.890 -4.542 -4.542 941 1HG PRO 121 2HG PRO 121 -10.047 -1.906 -1.906 942 2HG PRO 121 1HG PRO 121 -11.236 -2.254 -2.254 943 1HD PRO 121 2HD PRO 121 -11.974 -1.667 -1.667 944 2HD PRO 121 1HD PRO 121 -12.881 -2.826 -2.826 945 H ILE 122 HN ILE 122 -9.163 -6.532 -6.532 946 HA ILE 122 HA ILE 122 -7.252 -4.903 -4.903 947 HB ILE 122 HB ILE 122 -7.383 -7.909 -7.909 948 1HG1 ILE 122 2HG1 ILE 122 -9.613 -7.157 -7.157 949 2HG1 ILE 122 1HG1 ILE 122 -8.810 -7.696 -7.696 950 1HG2 ILE 122 3HG2 ILE 122 -6.186 -5.817 -5.817 951 2HG2 ILE 122 2HG2 ILE 122 -6.541 -7.434 -7.434 952 3HG2 ILE 122 1HG2 ILE 122 -5.420 -7.224 -7.224 953 1HD1 ILE 122 1HD1 ILE 122 -8.298 -5.327 -5.327 954 2HD1 ILE 122 3HD1 ILE 122 -9.258 -4.858 -4.858 955 3HD1 ILE 122 2HD1 ILE 122 -10.023 -5.695 -5.695 956 H GLU 123 HN GLU 123 -4.982 -5.275 -5.275 957 HA GLU 123 HA GLU 123 -4.005 -6.711 -6.711 958 1HB GLU 123 2HB GLU 123 -3.620 -3.753 -3.753 959 2HB GLU 123 1HB GLU 123 -2.599 -4.698 -4.698 960 1HG GLU 123 2HG GLU 123 -4.638 -5.334 -5.334 961 2HG GLU 123 1HG GLU 123 -5.558 -4.224 -4.224 962 H TYR 124 HN TYR 124 -1.629 -6.841 -6.841 963 HA TYR 124 HA TYR 124 -0.492 -6.664 -6.664 964 1HB TYR 124 2HB TYR 124 -0.037 -8.880 -8.880 965 2HB TYR 124 1HB TYR 124 0.716 -8.758 -8.758 966 HD1 TYR 124 1HD TYR 124 -2.601 -9.042 -9.042 967 HD2 TYR 124 2HD TYR 124 -0.320 -9.701 -9.701 968 HE1 TYR 124 1HE TYR 124 -4.491 -10.271 -10.271 969 HE2 TYR 124 2HE TYR 124 -2.202 -10.932 -10.932 970 HH TYR 124 HH TYR 124 -4.804 -10.918 -10.918 971 H ASN 125 HN ASN 125 1.219 -5.394 -5.394 972 HA ASN 125 HA ASN 125 2.693 -4.785 -4.785 973 1HB ASN 125 2HB ASN 125 1.670 -2.970 -2.970 974 2HB ASN 125 1HB ASN 125 2.996 -3.334 -3.334 975 1HD2 ASN 125 2HD2 ASN 125 4.789 -0.862 -0.862 976 2HD2 ASN 125 1HD2 ASN 125 4.024 -1.398 -1.398 977 H LEU 126 HN LEU 126 4.007 -6.622 -6.622 978 HA LEU 126 HA LEU 126 5.553 -7.581 -7.581 979 1HB LEU 126 2HB LEU 126 6.107 -7.858 -7.858 980 2HB LEU 126 1HB LEU 126 6.780 -8.851 -8.851 981 HG LEU 126 HG LEU 126 3.849 -8.721 -8.721 982 1HD1 LEU 126 2HD1 LEU 126 6.020 -10.136 -10.136 983 2HD1 LEU 126 1HD1 LEU 126 4.908 -11.277 -11.277 984 3HD1 LEU 126 3HD1 LEU 126 4.311 -10.121 -10.121 985 1HD2 LEU 126 2HD2 LEU 126 4.295 -9.262 -9.262 986 2HD2 LEU 126 1HD2 LEU 126 3.627 -10.637 -10.637 987 3HD2 LEU 126 3HD2 LEU 126 5.351 -10.579 -10.579 988 1H ALA 1 1HN ALA 1 44.181 -0.378 -0.378 989 2H ALA 1 3HN ALA 1 44.684 0.190 0.190 990 3H ALA 1 2HN ALA 1 44.946 -1.450 -1.450 991 HA ALA 1 HA ALA 1 43.143 -1.312 -1.312 992 1HB ALA 1 2HB ALA 1 42.673 1.126 1.126 993 2HB ALA 1 1HB ALA 1 41.435 0.201 0.201 994 3HB ALA 1 3HB ALA 1 41.476 0.209 0.209 995 H GLN 2 HN GLN 2 43.518 -3.465 -3.465 996 HA GLN 2 HA GLN 2 41.515 -4.186 -4.186 997 1HB GLN 2 2HB GLN 2 43.032 -6.184 -6.184 998 2HB GLN 2 1HB GLN 2 43.615 -4.622 -4.622 999 1HG GLN 2 2HG GLN 2 45.033 -4.451 -4.451 1000 2HG GLN 2 1HG GLN 2 44.458 -6.029 -6.029 1001 1HE2 GLN 2 2HE2 GLN 2 47.568 -6.896 -6.896 1002 2HE2 GLN 2 1HE2 GLN 2 46.893 -6.280 -6.280 1003 H SER 3 HN SER 3 40.000 -5.611 -5.611 1004 HA SER 3 HA SER 3 40.425 -7.648 -7.648 1005 1HB SER 3 2HB SER 3 40.072 -5.954 -5.954 1006 2HB SER 3 1HB SER 3 38.756 -5.232 -5.232 1007 HG SER 3 HG SER 3 38.614 -7.106 -7.106 1008 H VAL 4 HN VAL 4 37.463 -5.851 -5.851 1009 HA VAL 4 HA VAL 4 36.558 -7.481 -7.481 1010 HB VAL 4 HB VAL 4 36.489 -9.280 -9.280 1011 1HG1 VAL 4 1HG1 VAL 4 35.775 -7.290 -7.290 1012 2HG1 VAL 4 3HG1 VAL 4 34.332 -8.294 -8.294 1013 3HG1 VAL 4 2HG1 VAL 4 35.869 -9.021 -9.021 1014 1HG2 VAL 4 3HG2 VAL 4 33.829 -8.196 -8.196 1015 2HG2 VAL 4 2HG2 VAL 4 34.806 -9.453 -9.453 1016 3HG2 VAL 4 1HG2 VAL 4 34.000 -9.770 -9.770 1017 HA PRO 5 HA PRO 5 33.710 -4.070 -4.070 1018 1HB PRO 5 2HB PRO 5 32.176 -4.748 -4.748 1019 2HB PRO 5 1HB PRO 5 33.844 -4.199 -4.199 1020 1HG PRO 5 2HG PRO 5 32.753 -6.987 -6.987 1021 2HG PRO 5 1HG PRO 5 33.958 -6.249 -6.249 1022 1HD PRO 5 2HD PRO 5 34.604 -7.856 -7.856 1023 2HD PRO 5 1HD PRO 5 35.667 -6.575 -6.575 1024 HA PRO 6 HA PRO 6 30.094 -5.352 -5.352 1025 1HB PRO 6 2HB PRO 6 28.279 -3.476 -3.476 1026 2HB PRO 6 1HB PRO 6 29.604 -3.138 -3.138 1027 1HG PRO 6 2HG PRO 6 29.409 -2.570 -2.570 1028 2HG PRO 6 1HG PRO 6 30.035 -1.540 -1.540 1029 1HD PRO 6 2HD PRO 6 31.658 -2.943 -2.943 1030 2HD PRO 6 1HD PRO 6 32.070 -2.627 -2.627 1031 H GLY 7 HN GLY 7 28.617 -6.897 -6.897 1032 1HA GLY 7 2HA GLY 7 28.035 -7.923 -7.923 1033 2HA GLY 7 1HA GLY 7 27.192 -8.346 -8.346 1034 H ASP 8 HN ASP 8 25.131 -8.366 -8.366 1035 HA ASP 8 HA ASP 8 24.068 -5.757 -5.757 1036 1HB ASP 8 2HB ASP 8 24.339 -7.786 -7.786 1037 2HB ASP 8 1HB ASP 8 22.748 -8.167 -8.167 1038 H ILE 9 HN ILE 9 22.181 -5.148 -5.148 1039 HA ILE 9 HA ILE 9 21.151 -6.872 -6.872 1040 HB ILE 9 HB ILE 9 19.975 -4.906 -4.906 1041 1HG1 ILE 9 2HG1 ILE 9 21.260 -3.277 -3.277 1042 2HG1 ILE 9 1HG1 ILE 9 19.659 -3.982 -3.982 1043 1HG2 ILE 9 1HG2 ILE 9 22.367 -5.305 -5.305 1044 2HG2 ILE 9 3HG2 ILE 9 22.811 -4.161 -4.161 1045 3HG2 ILE 9 2HG2 ILE 9 21.866 -3.618 -3.618 1046 1HD1 ILE 9 2HD1 ILE 9 20.103 -2.419 -2.419 1047 2HD1 ILE 9 1HD1 ILE 9 20.064 -1.525 -1.525 1048 3HD1 ILE 9 3HD1 ILE 9 18.688 -2.520 -2.520 1049 H ASN 10 HN ASN 10 18.902 -7.262 -7.262 1050 HA ASN 10 HA ASN 10 17.439 -7.302 -7.302 1051 1HB ASN 10 2HB ASN 10 17.281 -9.019 -9.019 1052 2HB ASN 10 1HB ASN 10 15.987 -9.004 -9.004 1053 1HD2 ASN 10 2HD2 ASN 10 18.402 -11.741 -11.741 1054 2HD2 ASN 10 1HD2 ASN 10 17.487 -11.268 -11.268 1055 H THR 11 HN THR 11 15.570 -6.220 -6.220 1056 HA THR 11 HA THR 11 14.367 -5.003 -5.003 1057 HB THR 11 HB THR 11 13.793 -3.038 -3.038 1058 HG1 THR 11 1HG THR 11 14.285 -3.133 -3.133 1059 1HG2 THR 11 1HG2 THR 11 16.697 -3.643 -3.643 1060 2HG2 THR 11 3HG2 THR 11 16.094 -2.078 -2.078 1061 3HG2 THR 11 2HG2 THR 11 15.605 -2.712 -2.712 1062 H GLN 12 HN GLN 12 12.110 -4.541 -4.541 1063 HA GLN 12 HA GLN 12 10.647 -5.876 -5.876 1064 1HB GLN 12 2HB GLN 12 10.093 -6.341 -6.341 1065 2HB GLN 12 1HB GLN 12 9.186 -7.017 -7.017 1066 1HG GLN 12 2HG GLN 12 12.107 -7.552 -7.552 1067 2HG GLN 12 1HG GLN 12 10.822 -8.563 -8.563 1068 1HE2 GLN 12 2HE2 GLN 12 11.550 -10.381 -10.381 1069 2HE2 GLN 12 1HE2 GLN 12 11.992 -10.193 -10.193 1070 HA PRO 13 HA PRO 13 9.049 -5.456 -5.456 1071 1HB PRO 13 2HB PRO 13 8.826 -3.386 -3.386 1072 2HB PRO 13 1HB PRO 13 7.444 -4.160 -4.160 1073 1HG PRO 13 2HG PRO 13 8.846 -1.617 -1.617 1074 2HG PRO 13 1HG PRO 13 7.108 -1.965 -1.965 1075 1HD PRO 13 2HD PRO 13 8.498 -1.922 -1.922 1076 2HD PRO 13 1HD PRO 13 7.153 -3.053 -3.053 1077 H SER 14 HN SER 14 10.494 -5.627 -5.627 1078 HA SER 14 HA SER 14 13.170 -5.227 -5.227 1079 1HB SER 14 2HB SER 14 11.811 -6.583 -6.583 1080 2HB SER 14 1HB SER 14 12.588 -5.303 -5.303 1081 HG SER 14 HG SER 14 14.141 -6.782 -6.782 1082 H GLN 15 HN GLN 15 11.126 -3.348 -3.348 1083 HA GLN 15 HA GLN 15 12.463 -0.916 -0.916 1084 1HB GLN 15 2HB GLN 15 13.480 -0.481 -0.481 1085 2HB GLN 15 1HB GLN 15 14.199 -1.894 -1.894 1086 1HG GLN 15 2HG GLN 15 12.380 -3.162 -3.162 1087 2HG GLN 15 1HG GLN 15 12.472 -1.702 -1.702 1088 1HE2 GLN 15 2HE2 GLN 15 14.892 -3.790 -3.790 1089 2HE2 GLN 15 1HE2 GLN 15 13.192 -3.493 -3.493 1090 H LYS 16 HN LYS 16 9.819 -1.581 -1.581 1091 HA LYS 16 HA LYS 16 8.669 0.417 0.417 1092 1HB LYS 16 2HB LYS 16 8.779 -2.056 -2.056 1093 2HB LYS 16 1HB LYS 16 7.202 -2.105 -2.105 1094 1HG LYS 16 2HG LYS 16 6.500 -0.132 -0.132 1095 2HG LYS 16 1HG LYS 16 8.111 0.063 0.063 1096 1HD LYS 16 2HD LYS 16 7.857 -1.744 -1.744 1097 2HD LYS 16 1HD LYS 16 6.603 -2.483 -2.483 1098 1HE LYS 16 2HE LYS 16 5.079 -0.634 -0.634 1099 2HE LYS 16 1HE LYS 16 6.328 -0.015 -0.015 1100 1HZ LYS 16 1HZ LYS 16 6.182 -2.516 -2.516 1101 2HZ LYS 16 3HZ LYS 16 4.589 -2.325 -2.325 1102 3HZ LYS 16 2HZ LYS 16 5.218 -1.278 -1.278 1103 H ILE 17 HN ILE 17 7.628 1.466 1.466 1104 HA ILE 17 HA ILE 17 5.708 -0.060 -0.060 1105 HB ILE 17 HB ILE 17 7.617 0.470 0.470 1106 1HG1 ILE 17 2HG1 ILE 17 5.204 2.199 2.199 1107 2HG1 ILE 17 1HG1 ILE 17 5.370 0.491 0.491 1108 1HG2 ILE 17 3HG2 ILE 17 7.913 2.701 2.701 1109 2HG2 ILE 17 2HG2 ILE 17 7.171 3.374 3.374 1110 3HG2 ILE 17 1HG2 ILE 17 8.671 2.455 2.455 1111 1HD1 ILE 17 2HD1 ILE 17 7.387 2.413 2.413 1112 2HD1 ILE 17 1HD1 ILE 17 5.796 2.335 2.335 1113 3HD1 ILE 17 3HD1 ILE 17 6.811 0.895 0.895 1114 H VAL 18 HN VAL 18 3.701 0.692 0.692 1115 HA VAL 18 HA VAL 18 3.316 3.500 3.500 1116 HB VAL 18 HB VAL 18 2.706 2.011 2.011 1117 1HG1 VAL 18 2HG1 VAL 18 2.111 0.120 0.120 1118 2HG1 VAL 18 1HG1 VAL 18 0.501 0.840 0.840 1119 3HG1 VAL 18 3HG1 VAL 18 1.228 0.237 0.237 1120 1HG2 VAL 18 1HG2 VAL 18 0.368 3.306 3.306 1121 2HG2 VAL 18 3HG2 VAL 18 1.428 4.032 4.032 1122 3HG2 VAL 18 2HG2 VAL 18 0.331 2.729 2.729 1123 H PHE 19 HN PHE 19 2.785 4.459 4.459 1124 HA PHE 19 HA PHE 19 1.508 3.414 3.414 1125 1HB PHE 19 2HB PHE 19 1.244 6.219 6.219 1126 2HB PHE 19 1HB PHE 19 0.791 5.735 5.735 1127 HD1 PHE 19 2HD PHE 19 3.144 3.836 3.836 1128 HD2 PHE 19 1HD PHE 19 2.894 7.815 7.815 1129 HE1 PHE 19 2HE PHE 19 5.442 4.263 4.263 1130 HE2 PHE 19 1HE PHE 19 5.192 8.250 8.250 1131 HZ PHE 19 HZ PHE 19 6.469 6.473 6.473 1132 H ASN 20 HN ASN 20 -0.734 3.811 3.811 1133 HA ASN 20 HA ASN 20 -2.675 3.590 3.590 1134 1HB ASN 20 2HB ASN 20 -2.489 2.016 2.016 1135 2HB ASN 20 1HB ASN 20 -3.990 2.125 2.125 1136 1HD2 ASN 20 2HD2 ASN 20 -1.074 -0.387 -0.387 1137 2HD2 ASN 20 1HD2 ASN 20 -1.001 0.581 0.581 1138 H ALA 21 HN ALA 21 -4.086 5.176 5.176 1139 HA ALA 21 HA ALA 21 -4.343 7.231 7.231 1140 1HB ALA 21 1HB ALA 21 -5.560 6.495 6.495 1141 2HB ALA 21 3HB ALA 21 -6.890 6.663 6.663 1142 3HB ALA 21 2HB ALA 21 -5.782 8.009 8.009 1143 HA PRO 22 HA PRO 22 -6.693 8.453 8.453 1144 1HB PRO 22 2HB PRO 22 -7.590 9.756 9.756 1145 2HB PRO 22 1HB PRO 22 -8.637 8.695 8.695 1146 1HG PRO 22 2HG PRO 22 -7.220 8.146 8.146 1147 2HG PRO 22 1HG PRO 22 -8.878 7.733 7.733 1148 1HD PRO 22 2HD PRO 22 -6.802 5.959 5.959 1149 2HD PRO 22 1HD PRO 22 -8.213 5.859 5.859 1150 H TYR 23 HN TYR 23 -5.739 10.547 10.547 1151 HA TYR 23 HA TYR 23 -3.285 10.366 10.366 1152 1HB TYR 23 2HB TYR 23 -3.805 12.010 12.010 1153 2HB TYR 23 1HB TYR 23 -2.303 11.997 11.997 1154 HD1 TYR 23 2HD TYR 23 -2.117 9.069 9.069 1155 HD2 TYR 23 1HD TYR 23 -3.107 11.155 11.155 1156 HE1 TYR 23 2HE TYR 23 -1.316 7.163 7.163 1157 HE2 TYR 23 1HE TYR 23 -2.310 9.253 9.253 1158 HH TYR 23 HH TYR 23 -1.669 6.209 6.209 1159 H ASP 24 HN ASP 24 -5.682 11.109 11.109 1160 HA ASP 24 HA ASP 24 -5.408 14.018 14.018 1161 1HB ASP 24 2HB ASP 24 -7.654 12.881 12.881 1162 2HB ASP 24 1HB ASP 24 -7.721 12.417 12.417 1163 H ASP 25 HN ASP 25 -4.145 11.391 11.391 1164 HA ASP 25 HA ASP 25 -3.978 12.661 12.661 1165 1HB ASP 25 2HB ASP 25 -5.713 10.518 10.518 1166 2HB ASP 25 1HB ASP 25 -4.277 9.784 9.784 1167 H LYS 26 HN LYS 26 -2.656 10.508 10.508 1168 HA LYS 26 HA LYS 26 -0.110 10.594 10.594 1169 1HB LYS 26 2HB LYS 26 -0.717 9.990 9.990 1170 2HB LYS 26 1HB LYS 26 0.893 9.973 9.973 1171 1HG LYS 26 2HG LYS 26 1.093 12.175 12.175 1172 2HG LYS 26 1HG LYS 26 -0.488 12.456 12.456 1173 1HD LYS 26 2HD LYS 26 -1.353 12.947 12.947 1174 2HD LYS 26 1HD LYS 26 -0.853 11.377 11.377 1175 1HE LYS 26 2HE LYS 26 1.508 12.660 12.660 1176 2HE LYS 26 1HE LYS 26 0.421 14.029 14.029 1177 1HZ LYS 26 2HZ LYS 26 0.013 11.626 11.626 1178 2HZ LYS 26 1HZ LYS 26 1.299 12.651 12.651 1179 3HZ LYS 26 3HZ LYS 26 -0.284 13.249 13.249 1180 H HIS 27 HN HIS 27 0.324 8.874 8.874 1181 HA HIS 27 HA HIS 27 -0.526 6.224 6.224 1182 1HB HIS 27 2HB HIS 27 -0.292 7.390 7.390 1183 2HB HIS 27 1HB HIS 27 -0.081 5.656 5.656 1184 HD1 HIS 27 1HD HIS 27 -2.580 7.295 7.295 1185 HD2 HIS 27 2HD HIS 27 -2.488 5.300 5.300 1186 HE1 HIS 27 1HE HIS 27 -4.978 6.714 6.714 1187 H THR 28 HN THR 28 1.057 4.979 4.979 1188 HA THR 28 HA THR 28 3.808 5.544 5.544 1189 HB THR 28 HB THR 28 3.275 3.714 3.714 1190 HG1 THR 28 1HG THR 28 2.958 6.521 6.521 1191 1HG2 THR 28 3HG2 THR 28 5.442 5.309 5.309 1192 2HG2 THR 28 2HG2 THR 28 5.017 5.799 5.799 1193 3HG2 THR 28 1HG2 THR 28 5.416 4.115 4.115 1194 H TYR 29 HN TYR 29 4.557 4.275 4.275 1195 HA TYR 29 HA TYR 29 3.623 1.492 1.492 1196 1HB TYR 29 2HB TYR 29 5.129 2.969 2.969 1197 2HB TYR 29 1HB TYR 29 4.159 1.508 1.508 1198 HD1 TYR 29 1HD TYR 29 4.006 5.163 5.163 1199 HD2 TYR 29 2HD TYR 29 1.810 1.625 1.625 1200 HE1 TYR 29 1HE TYR 29 2.059 6.531 6.531 1201 HE2 TYR 29 2HE TYR 29 -0.143 2.982 2.982 1202 HH TYR 29 HH TYR 29 0.043 6.469 6.469 1203 H HIS 30 HN HIS 30 4.951 0.098 0.098 1204 HA HIS 30 HA HIS 30 7.742 0.729 0.729 1205 1HB HIS 30 2HB HIS 30 6.209 -1.759 -1.759 1206 2HB HIS 30 1HB HIS 30 7.825 -1.326 -1.326 1207 HD1 HIS 30 1HD HIS 30 5.893 -1.760 -1.760 1208 HD2 HIS 30 2HD HIS 30 6.244 1.905 1.905 1209 HE1 HIS 30 1HE HIS 30 4.988 -0.028 -0.028 1210 H ILE 31 HN ILE 31 9.494 -0.373 -0.373 1211 HA ILE 31 HA ILE 31 8.954 -2.145 -2.145 1212 HB ILE 31 HB ILE 31 11.491 -0.565 -0.565 1213 1HG1 ILE 31 2HG1 ILE 31 8.883 0.362 0.362 1214 2HG1 ILE 31 1HG1 ILE 31 9.778 1.122 1.122 1215 1HG2 ILE 31 2HG2 ILE 31 10.033 -1.731 -1.731 1216 2HG2 ILE 31 1HG2 ILE 31 11.535 -0.811 -0.811 1217 3HG2 ILE 31 3HG2 ILE 31 11.497 -2.364 -2.364 1218 1HD1 ILE 31 2HD1 ILE 31 10.732 0.885 0.885 1219 2HD1 ILE 31 1HD1 ILE 31 10.014 2.323 2.323 1220 3HD1 ILE 31 3HD1 ILE 31 11.559 1.714 1.714 1221 H LYS 32 HN LYS 32 10.219 -3.999 -3.999 1222 HA LYS 32 HA LYS 32 11.507 -4.879 -4.879 1223 1HB LYS 32 2HB LYS 32 9.742 -6.185 -6.185 1224 2HB LYS 32 1HB LYS 32 11.175 -6.669 -6.669 1225 1HG LYS 32 2HG LYS 32 12.153 -7.512 -7.512 1226 2HG LYS 32 1HG LYS 32 10.633 -7.132 -7.132 1227 1HD LYS 32 2HD LYS 32 9.487 -8.819 -8.819 1228 2HD LYS 32 1HD LYS 32 10.578 -8.824 -8.824 1229 1HE LYS 32 2HE LYS 32 12.224 -9.540 -9.540 1230 2HE LYS 32 1HE LYS 32 10.703 -10.332 -10.332 1231 1HZ LYS 32 1HZ LYS 32 10.695 -11.273 -11.273 1232 2HZ LYS 32 3HZ LYS 32 12.241 -10.629 -10.629 1233 3HZ LYS 32 2HZ LYS 32 11.993 -11.808 -11.808 1234 H ILE 33 HN ILE 33 13.625 -5.127 -5.127 1235 HA ILE 33 HA ILE 33 15.337 -5.142 -5.142 1236 HB ILE 33 HB ILE 33 15.980 -3.698 -3.698 1237 1HG1 ILE 33 2HG1 ILE 33 15.338 -2.504 -2.504 1238 2HG1 ILE 33 1HG1 ILE 33 14.170 -2.636 -2.636 1239 1HG2 ILE 33 3HG2 ILE 33 17.449 -3.992 -3.992 1240 2HG2 ILE 33 2HG2 ILE 33 17.843 -2.758 -2.758 1241 3HG2 ILE 33 1HG2 ILE 33 17.988 -4.467 -4.467 1242 1HD1 ILE 33 2HD1 ILE 33 16.258 -1.394 -1.394 1243 2HD1 ILE 33 1HD1 ILE 33 16.336 -0.729 -0.729 1244 3HD1 ILE 33 3HD1 ILE 33 14.851 -0.586 -0.586 1245 H THR 34 HN THR 34 17.324 -6.285 -6.285 1246 HA THR 34 HA THR 34 17.809 -7.784 -7.784 1247 HB THR 34 HB THR 34 17.077 -9.138 -9.138 1248 HG1 THR 34 1HG THR 34 15.415 -9.972 -9.972 1249 1HG2 THR 34 3HG2 THR 34 19.014 -10.259 -10.259 1250 2HG2 THR 34 2HG2 THR 34 18.051 -10.472 -10.472 1251 3HG2 THR 34 1HG2 THR 34 17.557 -11.251 -11.251 1252 H ASN 35 HN ASN 35 19.844 -8.878 -8.878 1253 HA ASN 35 HA ASN 35 21.801 -7.589 -7.589 1254 1HB ASN 35 2HB ASN 35 21.786 -8.589 -8.589 1255 2HB ASN 35 1HB ASN 35 23.193 -9.143 -9.143 1256 1HD2 ASN 35 2HD2 ASN 35 24.710 -6.183 -6.183 1257 2HD2 ASN 35 1HD2 ASN 35 24.638 -7.903 -7.903 1258 H ALA 36 HN ALA 36 21.912 -8.688 -8.688 1259 HA ALA 36 HA ALA 36 21.957 -11.597 -11.597 1260 1HB ALA 36 3HB ALA 36 21.005 -9.692 -9.692 1261 2HB ALA 36 2HB ALA 36 22.433 -10.356 -10.356 1262 3HB ALA 36 1HB ALA 36 21.130 -11.428 -11.428 1263 H GLY 37 HN GLY 37 24.226 -9.742 -9.742 1264 1HA GLY 37 2HA GLY 37 26.347 -10.722 -10.722 1265 2HA GLY 37 1HA GLY 37 26.507 -9.376 -9.376 1266 H GLY 38 HN GLY 38 28.356 -10.231 -10.231 1267 1HA GLY 38 2HA GLY 38 27.888 -12.679 -12.679 1268 2HA GLY 38 1HA GLY 38 29.461 -12.219 -12.219 1269 H ARG 39 HN ARG 39 28.923 -9.360 -9.360 1270 HA ARG 39 HA ARG 39 29.208 -9.554 -9.554 1271 1HB ARG 39 2HB ARG 39 30.746 -7.679 -7.679 1272 2HB ARG 39 1HB ARG 39 30.927 -7.842 -7.842 1273 1HG ARG 39 2HG ARG 39 31.907 -9.979 -9.979 1274 2HG ARG 39 1HG ARG 39 31.447 -10.107 -10.107 1275 1HD ARG 39 2HD ARG 39 32.948 -7.755 -7.755 1276 2HD ARG 39 1HD ARG 39 33.805 -8.945 -8.945 1277 HE ARG 39 HE ARG 39 33.666 -8.862 -8.862 1278 1HH1 ARG 39 1HH2 ARG 39 33.711 -11.074 -11.074 1279 2HH1 ARG 39 2HH2 ARG 39 34.409 -12.371 -12.371 1280 1HH2 ARG 39 1HH1 ARG 39 34.587 -10.563 -10.563 1281 2HH2 ARG 39 2HH1 ARG 39 34.908 -12.080 -12.080 1282 H ARG 40 HN ARG 40 28.774 -7.492 -7.492 1283 HA ARG 40 HA ARG 40 26.272 -6.471 -6.471 1284 1HB ARG 40 2HB ARG 40 26.740 -4.731 -4.731 1285 2HB ARG 40 1HB ARG 40 27.405 -6.259 -6.259 1286 1HG ARG 40 2HG ARG 40 29.617 -5.480 -5.480 1287 2HG ARG 40 1HG ARG 40 28.869 -3.887 -3.887 1288 1HD ARG 40 2HD ARG 40 30.073 -3.968 -3.968 1289 2HD ARG 40 1HD ARG 40 28.350 -3.997 -3.997 1290 HE ARG 40 HE ARG 40 29.072 -6.628 -6.628 1291 1HH1 ARG 40 1HH2 ARG 40 30.154 -3.839 -3.839 1292 2HH1 ARG 40 2HH2 ARG 40 30.645 -4.754 -4.754 1293 1HH2 ARG 40 1HH1 ARG 40 29.714 -7.842 -7.842 1294 2HH2 ARG 40 2HH1 ARG 40 30.396 -7.031 -7.031 1295 H ILE 41 HN ILE 41 25.769 -4.099 -4.099 1296 HA ILE 41 HA ILE 41 27.617 -2.754 -2.754 1297 HB ILE 41 HB ILE 41 26.108 -2.641 -2.641 1298 1HG1 ILE 41 2HG1 ILE 41 24.335 -4.429 -4.429 1299 2HG1 ILE 41 1HG1 ILE 41 23.966 -2.807 -2.807 1300 1HG2 ILE 41 3HG2 ILE 41 27.764 -4.541 -4.541 1301 2HG2 ILE 41 2HG2 ILE 41 26.374 -5.544 -5.544 1302 3HG2 ILE 41 1HG2 ILE 41 26.476 -4.793 -4.793 1303 1HD1 ILE 41 3HD1 ILE 41 24.007 -3.652 -3.652 1304 2HD1 ILE 41 2HD1 ILE 41 24.290 -5.276 -5.276 1305 3HD1 ILE 41 1HD1 ILE 41 22.783 -4.439 -4.439 1306 H GLY 42 HN GLY 42 27.427 -0.616 -0.616 1307 1HA GLY 42 2HA GLY 42 25.307 0.475 0.475 1308 2HA GLY 42 1HA GLY 42 26.683 1.356 1.356 1309 H TRP 43 HN TRP 43 23.374 0.710 0.710 1310 HA TRP 43 HA TRP 43 23.316 1.768 1.768 1311 1HB TRP 43 2HB TRP 43 20.988 0.961 0.961 1312 2HB TRP 43 1HB TRP 43 22.124 -0.330 -0.330 1313 HD1 TRP 43 1HD TRP 43 22.091 -1.288 -1.288 1314 HE1 TRP 43 1HE TRP 43 20.243 -1.269 -1.269 1315 HE3 TRP 43 3HE TRP 43 19.068 2.323 2.323 1316 HZ2 TRP 43 2HZ TRP 43 17.825 0.097 0.097 1317 HZ3 TRP 43 3HZ TRP 43 17.006 2.927 2.927 1318 HH2 TRP 43 2HH TRP 43 16.398 1.836 1.836 1319 H ALA 44 HN ALA 44 21.760 3.361 3.361 1320 HA ALA 44 HA ALA 44 20.569 4.961 4.961 1321 1HB ALA 44 3HB ALA 44 22.797 5.915 5.915 1322 2HB ALA 44 2HB ALA 44 21.587 7.043 7.043 1323 3HB ALA 44 1HB ALA 44 22.585 6.123 6.123 1324 H ILE 45 HN ILE 45 18.989 6.467 6.467 1325 HA ILE 45 HA ILE 45 18.184 5.931 5.931 1326 HB ILE 45 HB ILE 45 16.190 6.342 6.342 1327 1HG1 ILE 45 2HG1 ILE 45 17.595 4.341 4.341 1328 2HG1 ILE 45 1HG1 ILE 45 15.911 3.945 3.945 1329 1HG2 ILE 45 2HG2 ILE 45 16.084 6.010 6.010 1330 2HG2 ILE 45 1HG2 ILE 45 15.173 4.737 4.737 1331 3HG2 ILE 45 3HG2 ILE 45 14.795 6.429 6.429 1332 1HD1 ILE 45 2HD1 ILE 45 17.847 3.864 3.864 1333 2HD1 ILE 45 1HD1 ILE 45 17.863 2.562 2.562 1334 3HD1 ILE 45 3HD1 ILE 45 16.393 2.906 2.906 1335 H LYS 46 HN LYS 46 17.504 7.626 7.626 1336 HA LYS 46 HA LYS 46 16.949 10.177 10.177 1337 1HB LYS 46 2HB LYS 46 18.981 9.869 9.869 1338 2HB LYS 46 1HB LYS 46 18.436 11.393 11.393 1339 1HG LYS 46 2HG LYS 46 19.401 10.814 10.814 1340 2HG LYS 46 1HG LYS 46 19.875 9.231 9.231 1341 1HD LYS 46 2HD LYS 46 21.754 10.822 10.822 1342 2HD LYS 46 1HD LYS 46 21.372 10.272 10.272 1343 1HE LYS 46 2HE LYS 46 20.553 12.311 12.311 1344 2HE LYS 46 1HE LYS 46 20.076 12.758 12.758 1345 1HZ LYS 46 2HZ LYS 46 22.866 12.653 12.653 1346 2HZ LYS 46 1HZ LYS 46 21.961 14.061 14.061 1347 3HZ LYS 46 3HZ LYS 46 22.400 13.099 13.099 1348 H THR 47 HN THR 47 15.266 11.185 11.185 1349 HA THR 47 HA THR 47 14.256 10.157 10.157 1350 HB THR 47 HB THR 47 12.081 10.990 10.990 1351 HG1 THR 47 1HG THR 47 13.387 11.955 11.955 1352 1HG2 THR 47 1HG2 THR 47 13.483 9.017 9.017 1353 2HG2 THR 47 3HG2 THR 47 12.415 9.904 9.904 1354 3HG2 THR 47 2HG2 THR 47 11.759 9.128 9.128 1355 H THR 48 HN THR 48 13.304 11.652 11.652 1356 HA THR 48 HA THR 48 14.933 13.706 13.706 1357 HB THR 48 HB THR 48 12.623 14.573 14.573 1358 HG1 THR 48 1HG THR 48 11.138 13.344 13.344 1359 1HG2 THR 48 3HG2 THR 48 14.144 12.111 12.111 1360 2HG2 THR 48 2HG2 THR 48 12.805 12.743 12.743 1361 3HG2 THR 48 1HG2 THR 48 14.243 13.730 13.730 1362 H ASN 49 HN ASN 49 12.450 13.753 13.753 1363 HA ASN 49 HA ASN 49 13.198 16.490 16.490 1364 1HB ASN 49 2HB ASN 49 10.559 15.637 15.637 1365 2HB ASN 49 1HB ASN 49 10.512 16.577 16.577 1366 1HD2 ASN 49 2HD2 ASN 49 10.338 18.830 18.830 1367 2HD2 ASN 49 1HD2 ASN 49 9.437 17.460 17.460 1368 H MET 50 HN MET 50 13.796 16.467 16.467 1369 HA MET 50 HA MET 50 12.856 14.354 14.354 1370 1HB MET 50 2HB MET 50 14.920 16.518 16.518 1371 2HB MET 50 1HB MET 50 14.570 15.208 15.208 1372 1HG MET 50 2HG MET 50 15.077 13.927 13.927 1373 2HG MET 50 1HG MET 50 16.250 15.242 15.242 1374 1HE MET 50 1HE MET 50 15.509 11.783 11.783 1375 2HE MET 50 3HE MET 50 16.305 11.375 11.375 1376 3HE MET 50 2HE MET 50 14.785 12.271 12.271 1377 H ARG 51 HN ARG 51 11.258 16.845 16.845 1378 HA ARG 51 HA ARG 51 10.615 17.844 17.844 1379 1HB ARG 51 2HB ARG 51 9.599 19.779 19.779 1380 2HB ARG 51 1HB ARG 51 11.299 19.602 19.602 1381 1HG ARG 51 2HG ARG 51 10.489 18.376 18.376 1382 2HG ARG 51 1HG ARG 51 8.898 19.033 19.033 1383 1HD ARG 51 2HD ARG 51 9.928 20.524 20.524 1384 2HD ARG 51 1HD ARG 51 9.938 21.306 21.306 1385 HE ARG 51 HE ARG 51 12.358 19.922 19.922 1386 1HH1 ARG 51 1HH2 ARG 51 10.647 22.706 22.706 1387 2HH1 ARG 51 2HH2 ARG 51 12.087 23.581 23.581 1388 1HH2 ARG 51 1HH1 ARG 51 14.262 21.067 21.067 1389 2HH2 ARG 51 2HH1 ARG 51 14.144 22.649 22.649 1390 H ARG 52 HN ARG 52 9.243 16.568 16.568 1391 HA ARG 52 HA ARG 52 6.595 16.424 16.424 1392 1HB ARG 52 2HB ARG 52 7.530 15.835 15.835 1393 2HB ARG 52 1HB ARG 52 5.866 15.682 15.682 1394 1HG ARG 52 2HG ARG 52 7.068 18.285 18.285 1395 2HG ARG 52 1HG ARG 52 6.950 17.898 17.898 1396 1HD ARG 52 2HD ARG 52 4.929 18.968 18.968 1397 2HD ARG 52 1HD ARG 52 4.530 17.252 17.252 1398 HE ARG 52 HE ARG 52 5.160 17.873 17.873 1399 1HH1 ARG 52 1HH2 ARG 52 2.802 18.867 18.867 1400 2HH1 ARG 52 2HH2 ARG 52 1.591 19.249 19.249 1401 1HH2 ARG 52 1HH1 ARG 52 3.573 18.373 18.373 1402 2HH2 ARG 52 2HH1 ARG 52 2.029 18.968 18.968 1403 H LEU 53 HN LEU 53 9.282 14.425 14.425 1404 HA LEU 53 HA LEU 53 7.758 12.036 12.036 1405 1HB LEU 53 2HB LEU 53 10.214 12.095 12.095 1406 2HB LEU 53 1HB LEU 53 9.204 10.707 10.707 1407 HG LEU 53 HG LEU 53 7.802 12.972 12.972 1408 1HD1 LEU 53 1HD1 LEU 53 10.186 12.719 12.719 1409 2HD1 LEU 53 3HD1 LEU 53 9.466 11.303 11.303 1410 3HD1 LEU 53 2HD1 LEU 53 8.762 12.899 12.899 1411 1HD2 LEU 53 1HD2 LEU 53 6.889 10.670 10.670 1412 2HD2 LEU 53 3HD2 LEU 53 6.629 11.255 11.255 1413 3HD2 LEU 53 2HD2 LEU 53 7.896 10.073 10.073 1414 H SER 54 HN SER 54 8.788 10.512 10.512 1415 HA SER 54 HA SER 54 11.328 11.332 11.332 1416 1HB SER 54 2HB SER 54 9.171 12.070 12.070 1417 2HB SER 54 1HB SER 54 9.137 10.378 10.378 1418 HG SER 54 HG SER 54 11.137 10.626 10.626 1419 H VAL 55 HN VAL 55 12.590 9.675 9.675 1420 HA VAL 55 HA VAL 55 11.540 6.947 6.947 1421 HB VAL 55 HB VAL 55 14.121 6.563 6.563 1422 1HG1 VAL 55 3HG1 VAL 55 11.783 5.935 5.935 1423 2HG1 VAL 55 2HG1 VAL 55 12.227 7.189 7.189 1424 3HG1 VAL 55 1HG1 VAL 55 13.275 5.788 5.788 1425 1HG2 VAL 55 1HG2 VAL 55 14.172 9.192 9.192 1426 2HG2 VAL 55 3HG2 VAL 55 15.022 8.182 8.182 1427 3HG2 VAL 55 2HG2 VAL 55 13.452 8.873 8.873 1428 H ASP 56 HN ASP 56 11.809 5.875 5.875 1429 HA ASP 56 HA ASP 56 14.195 6.416 6.416 1430 1HB ASP 56 2HB ASP 56 11.362 6.255 6.255 1431 2HB ASP 56 1HB ASP 56 12.799 6.272 6.272 1432 HA PRO 57 HA PRO 57 15.292 5.590 5.590 1433 1HB PRO 57 2HB PRO 57 17.489 4.026 4.026 1434 2HB PRO 57 1HB PRO 57 16.184 3.835 3.835 1435 1HG PRO 57 2HG PRO 57 16.731 2.266 2.266 1436 2HG PRO 57 1HG PRO 57 16.264 1.683 1.683 1437 1HD PRO 57 2HD PRO 57 14.495 1.960 1.960 1438 2HD PRO 57 1HD PRO 57 14.038 2.143 2.143 1439 HA PRO 58 HA PRO 58 16.812 7.341 7.341 1440 1HB PRO 58 2HB PRO 58 18.811 8.519 8.519 1441 2HB PRO 58 1HB PRO 58 17.844 9.308 9.308 1442 1HG PRO 58 2HG PRO 58 17.183 9.551 9.551 1443 2HG PRO 58 1HG PRO 58 15.934 9.356 9.356 1444 1HD PRO 58 2HD PRO 58 16.964 7.379 7.379 1445 2HD PRO 58 1HD PRO 58 15.327 7.572 7.572 1446 H CYS 59 HN CYS 59 19.051 6.042 6.042 1447 HA CYS 59 HA CYS 59 20.487 4.634 4.634 1448 1HB CYS 59 2HB CYS 59 22.670 5.392 5.392 1449 2HB CYS 59 1HB CYS 59 21.689 6.783 6.783 1450 HG CYS 59 HG CYS 59 22.904 6.307 6.307 1451 H GLY 60 HN GLY 60 22.015 3.002 3.002 1452 1HA GLY 60 2HA GLY 60 22.138 2.299 2.299 1453 2HA GLY 60 1HA GLY 60 20.707 1.514 1.514 1454 H VAL 61 HN VAL 61 23.056 0.247 0.247 1455 HA VAL 61 HA VAL 61 24.369 -0.891 -0.891 1456 HB VAL 61 HB VAL 61 24.926 -1.418 -1.418 1457 1HG1 VAL 61 3HG1 VAL 61 25.776 -2.744 -2.744 1458 2HG1 VAL 61 2HG1 VAL 61 27.158 -1.857 -1.857 1459 3HG1 VAL 61 1HG1 VAL 61 26.303 -3.014 -3.014 1460 1HG2 VAL 61 3HG2 VAL 61 26.149 0.534 0.534 1461 2HG2 VAL 61 2HG2 VAL 61 25.405 0.871 0.871 1462 3HG2 VAL 61 1HG2 VAL 61 26.951 0.024 0.024 1463 H LEU 62 HN LEU 62 23.677 -2.728 -2.728 1464 HA LEU 62 HA LEU 62 21.814 -4.400 -4.400 1465 1HB LEU 62 2HB LEU 62 21.758 -3.479 -3.479 1466 2HB LEU 62 1HB LEU 62 22.311 -5.132 -5.132 1467 HG LEU 62 HG LEU 62 20.336 -5.985 -5.985 1468 1HD1 LEU 62 2HD1 LEU 62 20.134 -3.265 -3.265 1469 2HD1 LEU 62 1HD1 LEU 62 18.611 -3.842 -3.842 1470 3HD1 LEU 62 3HD1 LEU 62 19.398 -4.744 -4.744 1471 1HD2 LEU 62 1HD2 LEU 62 20.192 -5.480 -5.480 1472 2HD2 LEU 62 3HD2 LEU 62 18.635 -5.286 -5.286 1473 3HD2 LEU 62 2HD2 LEU 62 19.592 -3.866 -3.866 1474 H ASP 63 HN ASP 63 22.077 -6.649 -6.649 1475 HA ASP 63 HA ASP 63 24.869 -7.495 -7.495 1476 1HB ASP 63 2HB ASP 63 22.434 -8.302 -8.302 1477 2HB ASP 63 1HB ASP 63 23.572 -9.593 -9.593 1478 HA PRO 64 HA PRO 64 24.643 -10.294 -10.294 1479 1HB PRO 64 2HB PRO 64 25.421 -12.595 -12.595 1480 2HB PRO 64 1HB PRO 64 26.269 -11.862 -11.862 1481 1HG PRO 64 2HG PRO 64 27.150 -11.569 -11.569 1482 2HG PRO 64 1HG PRO 64 27.290 -10.263 -10.263 1483 1HD PRO 64 2HD PRO 64 25.313 -10.598 -10.598 1484 2HD PRO 64 1HD PRO 64 26.144 -9.131 -9.131 1485 H LYS 65 HN LYS 65 22.803 -10.988 -10.988 1486 HA LYS 65 HA LYS 65 20.912 -12.197 -12.197 1487 1HB LYS 65 2HB LYS 65 22.416 -14.088 -14.088 1488 2HB LYS 65 1HB LYS 65 21.661 -13.912 -13.912 1489 1HG LYS 65 2HG LYS 65 19.930 -15.136 -15.136 1490 2HG LYS 65 1HG LYS 65 19.647 -14.099 -14.099 1491 1HD LYS 65 2HD LYS 65 21.664 -16.340 -16.340 1492 2HD LYS 65 1HD LYS 65 20.059 -16.462 -16.462 1493 1HE LYS 65 2HE LYS 65 22.158 -14.474 -14.474 1494 2HE LYS 65 1HE LYS 65 21.895 -16.032 -16.032 1495 1HZ LYS 65 2HZ LYS 65 19.490 -15.213 -15.213 1496 2HZ LYS 65 1HZ LYS 65 20.127 -13.673 -13.673 1497 3HZ LYS 65 3HZ LYS 65 20.661 -14.571 -14.571 1498 H GLU 66 HN GLU 66 21.171 -10.031 -10.031 1499 HA GLU 66 HA GLU 66 18.954 -10.712 -10.712 1500 1HB GLU 66 2HB GLU 66 21.154 -8.852 -8.852 1501 2HB GLU 66 1HB GLU 66 19.639 -8.005 -8.005 1502 1HG GLU 66 2HG GLU 66 19.451 -10.275 -10.275 1503 2HG GLU 66 1HG GLU 66 21.131 -9.767 -9.767 1504 H LYS 67 HN LYS 67 17.035 -9.448 -9.448 1505 HA LYS 67 HA LYS 67 16.393 -7.969 -7.969 1506 1HB LYS 67 2HB LYS 67 14.575 -9.776 -9.776 1507 2HB LYS 67 1HB LYS 67 14.078 -8.810 -8.810 1508 1HG LYS 67 2HG LYS 67 14.680 -10.426 -10.426 1509 2HG LYS 67 1HG LYS 67 16.328 -10.386 -10.386 1510 1HD LYS 67 2HD LYS 67 15.667 -11.898 -11.898 1511 2HD LYS 67 1HD LYS 67 14.023 -11.942 -11.942 1512 1HE LYS 67 2HE LYS 67 15.347 -12.644 -12.644 1513 2HE LYS 67 1HE LYS 67 16.495 -13.231 -13.231 1514 1HZ LYS 67 2HZ LYS 67 13.611 -13.931 -13.931 1515 2HZ LYS 67 1HZ LYS 67 14.814 -14.891 -14.891 1516 3HZ LYS 67 3HZ LYS 67 14.823 -14.606 -14.606 1517 H VAL 68 HN VAL 68 14.878 -6.251 -6.251 1518 HA VAL 68 HA VAL 68 14.154 -5.370 -5.370 1519 HB VAL 68 HB VAL 68 15.003 -3.025 -3.025 1520 1HG1 VAL 68 1HG1 VAL 68 15.948 -4.500 -4.500 1521 2HG1 VAL 68 3HG1 VAL 68 17.069 -5.149 -5.149 1522 3HG1 VAL 68 2HG1 VAL 68 17.148 -3.445 -3.445 1523 1HG2 VAL 68 3HG2 VAL 68 15.502 -3.563 -3.563 1524 2HG2 VAL 68 2HG2 VAL 68 16.883 -2.886 -2.886 1525 3HG2 VAL 68 1HG2 VAL 68 16.804 -4.619 -4.619 1526 H LEU 69 HN LEU 69 12.517 -3.753 -3.753 1527 HA LEU 69 HA LEU 69 11.056 -3.557 -3.557 1528 1HB LEU 69 2HB LEU 69 10.050 -4.799 -4.799 1529 2HB LEU 69 1HB LEU 69 9.819 -3.205 -3.205 1530 HG LEU 69 HG LEU 69 8.324 -2.568 -2.568 1531 1HD1 LEU 69 2HD1 LEU 69 9.526 -4.874 -4.874 1532 2HD1 LEU 69 1HD1 LEU 69 7.787 -4.691 -4.691 1533 3HD1 LEU 69 3HD1 LEU 69 8.878 -3.374 -3.374 1534 1HD2 LEU 69 2HD2 LEU 69 7.548 -4.099 -4.099 1535 2HD2 LEU 69 1HD2 LEU 69 6.502 -3.954 -3.954 1536 3HD2 LEU 69 3HD2 LEU 69 7.523 -5.378 -5.378 1537 H MET 70 HN MET 70 11.960 -1.658 -1.658 1538 HA MET 70 HA MET 70 12.183 0.698 0.698 1539 1HB MET 70 2HB MET 70 13.680 0.442 0.442 1540 2HB MET 70 1HB MET 70 12.346 0.227 0.227 1541 1HG MET 70 2HG MET 70 11.653 2.555 2.555 1542 2HG MET 70 1HG MET 70 13.067 2.754 2.754 1543 1HE MET 70 2HE MET 70 11.874 1.621 1.621 1544 2HE MET 70 1HE MET 70 13.269 1.898 1.898 1545 3HE MET 70 3HE MET 70 13.284 0.567 0.567 1546 H ALA 71 HN ALA 71 11.044 2.709 2.709 1547 HA ALA 71 HA ALA 71 8.282 2.272 2.272 1548 1HB ALA 71 1HB ALA 71 8.873 2.629 2.629 1549 2HB ALA 71 3HB ALA 71 8.723 4.314 4.314 1550 3HB ALA 71 2HB ALA 71 7.375 3.201 3.201 1551 H VAL 72 HN VAL 72 7.559 3.651 3.651 1552 HA VAL 72 HA VAL 72 9.179 6.046 6.046 1553 HB VAL 72 HB VAL 72 7.348 4.558 4.558 1554 1HG1 VAL 72 1HG1 VAL 72 8.101 7.163 7.163 1555 2HG1 VAL 72 3HG1 VAL 72 9.394 6.379 6.379 1556 3HG1 VAL 72 2HG1 VAL 72 7.714 6.152 6.152 1557 1HG2 VAL 72 3HG2 VAL 72 9.622 3.518 3.518 1558 2HG2 VAL 72 2HG2 VAL 72 9.140 3.422 3.422 1559 3HG2 VAL 72 1HG2 VAL 72 10.303 4.642 4.642 1560 H SER 73 HN SER 73 8.133 7.507 7.507 1561 HA SER 73 HA SER 73 5.323 7.763 7.763 1562 1HB SER 73 2HB SER 73 6.990 10.167 10.167 1563 2HB SER 73 1HB SER 73 5.750 9.429 9.429 1564 HG SER 73 HG SER 73 7.301 8.513 8.513 1565 H CYS 74 HN CYS 74 3.897 8.706 8.706 1566 HA CYS 74 HA CYS 74 4.861 10.648 10.648 1567 1HB CYS 74 2HB CYS 74 4.196 8.149 8.149 1568 2HB CYS 74 1HB CYS 74 2.599 8.889 8.889 1569 HG CYS 74 HG CYS 74 3.286 9.539 9.539 1570 H ASP 75 HN ASP 75 4.038 12.484 12.484 1571 HA ASP 75 HA ASP 75 1.485 12.606 12.606 1572 1HB ASP 75 2HB ASP 75 3.536 14.646 14.646 1573 2HB ASP 75 1HB ASP 75 1.947 15.153 15.153 1574 H THR 76 HN THR 76 -0.414 13.521 13.521 1575 HA THR 76 HA THR 76 -1.250 13.059 13.059 1576 HB THR 76 HB THR 76 -3.003 13.401 13.401 1577 HG1 THR 76 1HG THR 76 -4.022 15.392 15.392 1578 1HG2 THR 76 3HG2 THR 76 -1.430 15.694 15.694 1579 2HG2 THR 76 2HG2 THR 76 -3.179 15.652 15.652 1580 3HG2 THR 76 1HG2 THR 76 -2.177 14.344 14.344 1581 H PHE 77 HN PHE 77 -1.967 14.607 14.607 1582 HA PHE 77 HA PHE 77 -0.861 17.214 17.214 1583 1HB PHE 77 2HB PHE 77 0.880 16.938 16.938 1584 2HB PHE 77 1HB PHE 77 1.176 15.721 15.721 1585 HD1 PHE 77 2HD PHE 77 -0.491 13.511 13.511 1586 HD2 PHE 77 1HD PHE 77 1.573 16.170 16.170 1587 HE1 PHE 77 2HE PHE 77 -0.442 11.767 11.767 1588 HE2 PHE 77 1HE PHE 77 1.624 14.432 14.432 1589 HZ PHE 77 HZ PHE 77 0.615 12.228 12.228 1590 H ASN 78 HN ASN 78 -0.639 17.449 17.449 1591 HA ASN 78 HA ASN 78 -3.415 16.892 16.892 1592 1HB ASN 78 2HB ASN 78 -1.546 19.153 19.153 1593 2HB ASN 78 1HB ASN 78 -3.015 18.826 18.826 1594 1HD2 ASN 78 2HD2 ASN 78 -5.202 19.807 19.807 1595 2HD2 ASN 78 1HD2 ASN 78 -5.025 18.662 18.662 1596 H ALA 79 HN ALA 79 -3.652 15.391 15.391 1597 HA ALA 79 HA ALA 79 -1.402 14.854 14.854 1598 1HB ALA 79 2HB ALA 79 -3.298 13.126 13.126 1599 2HB ALA 79 1HB ALA 79 -3.025 12.692 12.692 1600 3HB ALA 79 3HB ALA 79 -1.663 12.793 12.793 1601 H ALA 80 HN ALA 80 -3.773 16.811 16.811 1602 HA ALA 80 HA ALA 80 -5.015 15.812 15.812 1603 1HB ALA 80 3HB ALA 80 -6.130 17.076 17.076 1604 2HB ALA 80 2HB ALA 80 -5.881 18.421 18.421 1605 3HB ALA 80 1HB ALA 80 -6.833 17.022 17.022 1606 H THR 81 HN THR 81 -2.709 18.106 18.106 1607 HA THR 81 HA THR 81 -2.260 19.000 19.000 1608 HB THR 81 HB THR 81 -2.035 21.333 21.333 1609 HG1 THR 81 1HG THR 81 -2.271 21.920 21.920 1610 1HG2 THR 81 3HG2 THR 81 -4.251 20.446 20.446 1611 2HG2 THR 81 2HG2 THR 81 -4.697 20.316 20.316 1612 3HG2 THR 81 1HG2 THR 81 -4.314 21.893 21.893 1613 H GLU 82 HN GLU 82 -0.721 17.119 17.119 1614 HA GLU 82 HA GLU 82 1.843 18.432 18.432 1615 1HB GLU 82 2HB GLU 82 0.748 16.908 16.908 1616 2HB GLU 82 1HB GLU 82 2.459 17.240 17.240 1617 1HG GLU 82 2HG GLU 82 1.910 19.668 19.668 1618 2HG GLU 82 1HG GLU 82 0.250 19.245 19.245 1619 H ASP 83 HN ASP 83 3.575 17.050 17.050 1620 HA ASP 83 HA ASP 83 3.018 14.829 14.829 1621 1HB ASP 83 2HB ASP 83 5.567 15.730 15.730 1622 2HB ASP 83 1HB ASP 83 5.500 14.368 14.368 1623 H LEU 84 HN LEU 84 2.993 12.654 12.654 1624 HA LEU 84 HA LEU 84 3.209 11.788 11.788 1625 1HB LEU 84 2HB LEU 84 1.490 10.609 10.609 1626 2HB LEU 84 1HB LEU 84 1.568 10.056 10.056 1627 HG LEU 84 HG LEU 84 0.573 12.772 12.772 1628 1HD1 LEU 84 1HD1 LEU 84 -0.872 10.241 10.241 1629 2HD1 LEU 84 3HD1 LEU 84 -1.635 11.831 11.831 1630 3HD1 LEU 84 2HD1 LEU 84 -1.014 11.186 11.186 1631 1HD2 LEU 84 3HD2 LEU 84 1.570 12.733 12.733 1632 2HD2 LEU 84 2HD2 LEU 84 -0.172 13.001 13.001 1633 3HD2 LEU 84 1HD2 LEU 84 0.488 11.414 11.414 1634 H ASN 85 HN ASN 85 5.307 11.890 11.890 1635 HA ASN 85 HA ASN 85 6.207 9.137 9.137 1636 1HB ASN 85 2HB ASN 85 5.045 9.379 9.379 1637 2HB ASN 85 1HB ASN 85 6.337 10.487 10.487 1638 1HD2 ASN 85 2HD2 ASN 85 7.967 7.715 7.715 1639 2HD2 ASN 85 1HD2 ASN 85 7.158 9.212 9.212 1640 H ASN 86 HN ASN 86 6.895 11.791 11.791 1641 HA ASN 86 HA ASN 86 9.630 12.097 12.097 1642 1HB ASN 86 2HB ASN 86 7.665 13.965 13.965 1643 2HB ASN 86 1HB ASN 86 9.345 14.215 14.215 1644 1HD2 ASN 86 2HD2 ASN 86 8.693 14.326 14.326 1645 2HD2 ASN 86 1HD2 ASN 86 8.097 13.018 13.018 1646 H ASP 87 HN ASP 87 7.758 11.318 11.318 1647 HA ASP 87 HA ASP 87 9.770 11.583 11.583 1648 1HB ASP 87 2HB ASP 87 7.289 9.874 9.874 1649 2HB ASP 87 1HB ASP 87 8.354 9.872 9.872 1650 H ARG 88 HN ARG 88 11.438 10.329 10.329 1651 HA ARG 88 HA ARG 88 11.582 7.560 7.560 1652 1HB ARG 88 2HB ARG 88 13.376 9.740 9.740 1653 2HB ARG 88 1HB ARG 88 14.047 8.134 8.134 1654 1HG ARG 88 2HG ARG 88 12.463 7.182 7.182 1655 2HG ARG 88 1HG ARG 88 11.676 8.748 8.748 1656 1HD ARG 88 2HD ARG 88 14.598 8.452 8.452 1657 2HD ARG 88 1HD ARG 88 13.411 7.939 7.939 1658 HE ARG 88 HE ARG 88 12.692 10.496 10.496 1659 1HH1 ARG 88 1HH2 ARG 88 15.448 8.947 8.947 1660 2HH1 ARG 88 2HH2 ARG 88 15.913 10.345 10.345 1661 1HH2 ARG 88 1HH1 ARG 88 13.295 12.342 12.342 1662 2HH2 ARG 88 2HH1 ARG 88 14.689 12.276 12.276 1663 H ILE 89 HN ILE 89 12.935 6.282 6.282 1664 HA ILE 89 HA ILE 89 14.166 7.612 7.612 1665 HB ILE 89 HB ILE 89 12.838 4.899 4.899 1666 1HG1 ILE 89 2HG1 ILE 89 11.978 7.387 7.387 1667 2HG1 ILE 89 1HG1 ILE 89 11.319 6.919 6.919 1668 1HG2 ILE 89 3HG2 ILE 89 14.822 5.136 5.136 1669 2HG2 ILE 89 2HG2 ILE 89 13.935 6.393 6.393 1670 3HG2 ILE 89 1HG2 ILE 89 13.310 4.745 4.745 1671 1HD1 ILE 89 2HD1 ILE 89 10.817 4.667 4.667 1672 2HD1 ILE 89 1HD1 ILE 89 10.932 5.677 5.677 1673 3HD1 ILE 89 3HD1 ILE 89 9.751 6.058 6.058 1674 H THR 90 HN THR 90 16.302 7.453 7.453 1675 HA THR 90 HA THR 90 17.544 5.233 5.233 1676 HB THR 90 HB THR 90 18.763 7.766 7.766 1677 HG1 THR 90 1HG THR 90 18.452 8.615 8.615 1678 1HG2 THR 90 3HG2 THR 90 20.202 5.598 5.598 1679 2HG2 THR 90 2HG2 THR 90 20.077 6.217 6.217 1680 3HG2 THR 90 1HG2 THR 90 20.774 7.223 7.223 1681 H ILE 91 HN ILE 91 18.393 3.558 3.558 1682 HA ILE 91 HA ILE 91 19.019 3.822 3.822 1683 HB ILE 91 HB ILE 91 18.205 1.305 1.305 1684 1HG1 ILE 91 2HG1 ILE 91 16.176 1.656 1.656 1685 2HG1 ILE 91 1HG1 ILE 91 16.650 3.348 3.348 1686 1HG2 ILE 91 3HG2 ILE 91 19.175 1.896 1.896 1687 2HG2 ILE 91 2HG2 ILE 91 17.803 0.794 0.794 1688 3HG2 ILE 91 1HG2 ILE 91 19.303 0.421 0.421 1689 1HD1 ILE 91 1HD1 ILE 91 16.379 1.886 1.886 1690 2HD1 ILE 91 3HD1 ILE 91 14.894 2.188 2.188 1691 3HD1 ILE 91 2HD1 ILE 91 15.924 3.537 3.537 1692 H GLU 92 HN GLU 92 21.145 3.889 3.889 1693 HA GLU 92 HA GLU 92 22.879 2.300 2.300 1694 1HB GLU 92 2HB GLU 92 23.876 4.532 4.532 1695 2HB GLU 92 1HB GLU 92 24.575 3.885 3.885 1696 1HG GLU 92 2HG GLU 92 22.711 4.859 4.859 1697 2HG GLU 92 1HG GLU 92 22.084 5.561 5.561 1698 H TRP 93 HN TRP 93 24.720 1.247 1.247 1699 HA TRP 93 HA TRP 93 24.853 0.951 0.951 1700 1HB TRP 93 2HB TRP 93 24.411 -1.402 -1.402 1701 2HB TRP 93 1HB TRP 93 23.056 -0.650 -0.650 1702 HD1 TRP 93 1HD TRP 93 25.469 -3.422 -3.422 1703 HE1 TRP 93 1HE TRP 93 25.358 -4.441 -4.441 1704 HE3 TRP 93 3HE TRP 93 22.721 0.209 0.209 1705 HZ2 TRP 93 2HZ TRP 93 24.252 -3.794 -3.794 1706 HZ3 TRP 93 3HZ TRP 93 22.179 -0.067 -0.067 1707 HH2 TRP 93 2HH TRP 93 22.930 -2.028 -2.028 1708 H THR 94 HN THR 94 26.907 0.682 0.682 1709 HA THR 94 HA THR 94 28.796 -0.474 -0.474 1710 HB THR 94 HB THR 94 29.147 1.899 1.899 1711 HG1 THR 94 1HG THR 94 31.293 2.001 2.001 1712 1HG2 THR 94 1HG2 THR 94 28.212 2.070 2.070 1713 2HG2 THR 94 3HG2 THR 94 29.946 2.264 2.264 1714 3HG2 THR 94 2HG2 THR 94 29.093 3.351 3.351 1715 H ASN 95 HN ASN 95 30.211 -1.925 -1.925 1716 HA ASN 95 HA ASN 95 29.793 -3.156 -3.156 1717 1HB ASN 95 2HB ASN 95 31.294 -3.721 -3.721 1718 2HB ASN 95 1HB ASN 95 32.549 -3.337 -3.337 1719 1HD2 ASN 95 2HD2 ASN 95 31.626 -6.970 -6.970 1720 2HD2 ASN 95 1HD2 ASN 95 32.018 -5.874 -5.874 1721 H THR 96 HN THR 96 30.651 -2.958 -2.958 1722 HA THR 96 HA THR 96 31.842 -0.438 -0.438 1723 HB THR 96 HB THR 96 31.783 -1.299 -1.299 1724 HG1 THR 96 1HG THR 96 31.516 -3.341 -3.341 1725 1HG2 THR 96 1HG2 THR 96 29.300 -1.602 -1.602 1726 2HG2 THR 96 3HG2 THR 96 29.305 -1.852 -1.852 1727 3HG2 THR 96 2HG2 THR 96 29.763 -0.285 -0.285 1728 HA PRO 97 HA PRO 97 36.143 -1.428 -1.428 1729 1HB PRO 97 2HB PRO 97 36.404 0.128 0.128 1730 2HB PRO 97 1HB PRO 97 37.265 0.318 0.318 1731 1HG PRO 97 2HG PRO 97 35.341 2.022 2.022 1732 2HG PRO 97 1HG PRO 97 35.524 1.489 1.489 1733 1HD PRO 97 2HD PRO 97 33.513 0.664 0.664 1734 2HD PRO 97 1HD PRO 97 33.322 0.874 0.874 1735 H ASP 98 HN ASP 98 37.889 -2.456 -2.456 1736 HA ASP 98 HA ASP 98 37.164 -4.773 -4.773 1737 1HB ASP 98 2HB ASP 98 39.727 -3.190 -3.190 1738 2HB ASP 98 1HB ASP 98 39.556 -4.752 -4.752 1739 H GLY 99 HN GLY 99 35.881 -4.829 -4.829 1740 1HA GLY 99 2HA GLY 99 35.093 -4.438 -4.438 1741 2HA GLY 99 1HA GLY 99 36.792 -4.313 -4.313 1742 H ALA 100 HN ALA 100 34.675 -2.242 -2.242 1743 HA ALA 100 HA ALA 100 35.774 0.172 0.172 1744 1HB ALA 100 3HB ALA 100 33.384 -0.672 -0.672 1745 2HB ALA 100 2HB ALA 100 33.204 0.864 0.864 1746 3HB ALA 100 1HB ALA 100 34.506 0.650 0.650 1747 H ALA 101 HN ALA 101 32.418 -0.624 -0.624 1748 HA ALA 101 HA ALA 101 32.656 -0.656 -0.656 1749 1HB ALA 101 1HB ALA 101 32.312 2.060 2.060 1750 2HB ALA 101 3HB ALA 101 31.616 1.678 1.678 1751 3HB ALA 101 2HB ALA 101 33.358 1.549 1.549 1752 H LYS 102 HN LYS 102 30.575 -0.343 -0.343 1753 HA LYS 102 HA LYS 102 28.421 -1.335 -1.335 1754 1HB LYS 102 2HB LYS 102 29.005 -1.395 -1.395 1755 2HB LYS 102 1HB LYS 102 27.324 -1.492 -1.492 1756 1HG LYS 102 2HG LYS 102 28.148 -3.381 -3.381 1757 2HG LYS 102 1HG LYS 102 29.560 -3.410 -3.410 1758 1HD LYS 102 2HD LYS 102 28.256 -3.966 -3.966 1759 2HD LYS 102 1HD LYS 102 26.750 -3.573 -3.573 1760 1HE LYS 102 2HE LYS 102 26.611 -5.602 -5.602 1761 2HE LYS 102 1HE LYS 102 28.319 -5.613 -5.613 1762 1HZ LYS 102 1HZ LYS 102 28.789 -6.156 -6.156 1763 2HZ LYS 102 3HZ LYS 102 27.126 -6.348 -6.348 1764 3HZ LYS 102 2HZ LYS 102 27.946 -7.364 -7.364 1765 H GLN 103 HN GLN 103 28.334 0.859 0.859 1766 HA GLN 103 HA GLN 103 26.016 2.182 2.182 1767 1HB GLN 103 2HB GLN 103 27.036 4.354 4.354 1768 2HB GLN 103 1HB GLN 103 26.804 3.007 3.007 1769 1HG GLN 103 2HG GLN 103 29.347 2.590 2.590 1770 2HG GLN 103 1HG GLN 103 29.245 4.345 4.345 1771 1HE2 GLN 103 2HE2 GLN 103 28.391 4.037 4.037 1772 2HE2 GLN 103 1HE2 GLN 103 27.609 4.650 4.650 1773 H PHE 104 HN PHE 104 25.499 3.706 3.706 1774 HA PHE 104 HA PHE 104 26.826 3.721 3.721 1775 1HB PHE 104 2HB PHE 104 24.456 4.498 4.498 1776 2HB PHE 104 1HB PHE 104 25.158 6.035 6.035 1777 HD1 PHE 104 1HD PHE 104 25.076 3.668 3.668 1778 HD2 PHE 104 2HD PHE 104 25.489 7.698 7.698 1779 HE1 PHE 104 1HE PHE 104 25.063 4.421 4.421 1780 HE2 PHE 104 2HE PHE 104 25.476 8.459 8.459 1781 HZ PHE 104 HZ PHE 104 25.262 6.819 6.819 1782 H ARG 105 HN ARG 105 28.385 4.925 4.925 1783 HA ARG 105 HA ARG 105 29.608 7.073 7.073 1784 1HB ARG 105 2HB ARG 105 30.776 4.614 4.614 1785 2HB ARG 105 1HB ARG 105 31.491 5.742 5.742 1786 1HG ARG 105 2HG ARG 105 32.959 6.058 6.058 1787 2HG ARG 105 1HG ARG 105 31.726 7.184 7.184 1788 1HD ARG 105 2HD ARG 105 31.041 5.796 5.796 1789 2HD ARG 105 1HD ARG 105 31.508 4.334 4.334 1790 HE ARG 105 HE ARG 105 33.852 5.676 5.676 1791 1HH1 ARG 105 1HH2 ARG 105 31.216 4.234 4.234 1792 2HH1 ARG 105 2HH2 ARG 105 32.187 3.831 3.831 1793 1HH2 ARG 105 1HH1 ARG 105 35.138 5.151 5.151 1794 2HH2 ARG 105 2HH1 ARG 105 34.417 4.353 4.353 1795 H ARG 106 HN ARG 106 30.538 8.799 8.799 1796 HA ARG 106 HA ARG 106 29.419 9.108 9.108 1797 1HB ARG 106 2HB ARG 106 29.007 10.789 10.789 1798 2HB ARG 106 1HB ARG 106 30.677 11.285 11.285 1799 1HG ARG 106 2HG ARG 106 29.826 11.434 11.434 1800 2HG ARG 106 1HG ARG 106 28.305 11.747 11.747 1801 1HD ARG 106 2HD ARG 106 29.366 13.550 13.550 1802 2HD ARG 106 1HD ARG 106 30.896 13.228 13.228 1803 HE ARG 106 HE ARG 106 28.814 13.754 13.754 1804 1HH1 ARG 106 1HH2 ARG 106 30.999 15.289 15.289 1805 2HH1 ARG 106 2HH2 ARG 106 31.020 16.796 16.796 1806 1HH2 ARG 106 1HH1 ARG 106 28.832 15.732 15.732 1807 2HH2 ARG 106 2HH1 ARG 106 29.786 17.047 17.047 1808 H GLU 107 HN GLU 107 31.908 7.598 7.598 1809 HA GLU 107 HA GLU 107 33.796 9.168 9.168 1810 1HB GLU 107 2HB GLU 107 35.610 7.932 7.932 1811 2HB GLU 107 1HB GLU 107 34.633 8.799 8.799 1812 1HG GLU 107 2HG GLU 107 33.762 6.885 6.885 1813 2HG GLU 107 1HG GLU 107 33.981 5.957 5.957 1814 H TRP 108 HN TRP 108 31.925 6.315 6.315 1815 HA TRP 108 HA TRP 108 33.518 4.627 4.627 1816 1HB TRP 108 2HB TRP 108 30.526 4.585 4.585 1817 2HB TRP 108 1HB TRP 108 31.488 3.273 3.273 1818 HD1 TRP 108 1HD TRP 108 33.845 3.934 3.934 1819 HE1 TRP 108 1HE TRP 108 33.435 2.854 2.854 1820 HE3 TRP 108 3HE TRP 108 28.843 2.969 2.969 1821 HZ2 TRP 108 2HZ TRP 108 31.276 1.740 1.740 1822 HZ3 TRP 108 3HZ TRP 108 27.680 1.895 1.895 1823 HH2 TRP 108 2HH TRP 108 28.874 1.293 1.293 1824 H PHE 109 HN PHE 109 31.533 7.337 7.337 1825 HA PHE 109 HA PHE 109 31.475 6.601 6.601 1826 1HB PHE 109 2HB PHE 109 29.818 8.713 8.713 1827 2HB PHE 109 1HB PHE 109 29.634 8.145 8.145 1828 HD1 PHE 109 1HD PHE 109 29.660 6.795 6.795 1829 HD2 PHE 109 2HD PHE 109 27.992 6.604 6.604 1830 HE1 PHE 109 1HE PHE 109 28.064 5.088 5.088 1831 HE2 PHE 109 2HE PHE 109 26.392 4.897 4.897 1832 HZ PHE 109 HZ PHE 109 26.426 4.137 4.137 1833 H GLN 110 HN GLN 110 33.802 7.692 7.692 1834 HA GLN 110 HA GLN 110 34.008 10.293 10.293 1835 1HB GLN 110 2HB GLN 110 35.655 10.963 10.963 1836 2HB GLN 110 1HB GLN 110 34.221 10.401 10.401 1837 1HG GLN 110 2HG GLN 110 35.540 9.091 9.091 1838 2HG GLN 110 1HG GLN 110 35.819 8.143 8.143 1839 1HE2 GLN 110 2HE2 GLN 110 38.591 10.994 10.994 1840 2HE2 GLN 110 1HE2 GLN 110 36.911 11.270 11.270 1841 H GLY 111 HN GLY 111 35.286 7.102 7.102 1842 1HA GLY 111 2HA GLY 111 37.841 7.644 7.644 1843 2HA GLY 111 1HA GLY 111 37.107 6.062 6.062 1844 H ASP 112 HN ASP 112 38.390 6.134 6.134 1845 HA ASP 112 HA ASP 112 36.645 7.079 7.079 1846 1HB ASP 112 2HB ASP 112 39.526 6.467 6.467 1847 2HB ASP 112 1HB ASP 112 38.788 6.016 6.016 1848 H GLY 113 HN GLY 113 35.354 5.738 5.738 1849 1HA GLY 113 2HA GLY 113 34.688 3.764 3.764 1850 2HA GLY 113 1HA GLY 113 36.057 2.941 2.941 1851 H MET 114 HN MET 114 34.215 1.312 1.312 1852 HA MET 114 HA MET 114 32.805 0.135 0.135 1853 1HB MET 114 2HB MET 114 34.182 1.894 1.894 1854 2HB MET 114 1HB MET 114 32.991 0.688 0.688 1855 1HG MET 114 2HG MET 114 34.447 -0.977 -0.977 1856 2HG MET 114 1HG MET 114 35.032 -0.391 -0.391 1857 1HE MET 114 3HE MET 114 36.336 -1.899 -1.899 1858 2HE MET 114 2HE MET 114 37.889 -1.342 -1.342 1859 3HE MET 114 1HE MET 114 37.462 -1.054 -1.054 1860 H VAL 115 HN VAL 115 30.887 0.280 0.280 1861 HA VAL 115 HA VAL 115 28.936 1.246 1.246 1862 HB VAL 115 HB VAL 115 29.747 3.895 3.895 1863 1HG1 VAL 115 3HG1 VAL 115 27.410 3.154 3.154 1864 2HG1 VAL 115 2HG1 VAL 115 28.261 3.641 3.641 1865 3HG1 VAL 115 1HG1 VAL 115 28.059 4.788 4.788 1866 1HG2 VAL 115 3HG2 VAL 115 31.134 2.476 2.476 1867 2HG2 VAL 115 2HG2 VAL 115 31.410 4.119 4.119 1868 3HG2 VAL 115 1HG2 VAL 115 30.291 3.830 3.830 1869 H ARG 116 HN ARG 116 27.323 0.453 0.453 1870 HA ARG 116 HA ARG 116 27.095 1.175 1.175 1871 1HB ARG 116 2HB ARG 116 25.853 -1.043 -1.043 1872 2HB ARG 116 1HB ARG 116 25.399 -0.700 -0.700 1873 1HG ARG 116 2HG ARG 116 28.278 -0.998 -0.998 1874 2HG ARG 116 1HG ARG 116 27.338 -2.446 -2.446 1875 1HD ARG 116 2HD ARG 116 26.468 -1.163 -1.163 1876 2HD ARG 116 1HD ARG 116 28.174 -1.603 -1.603 1877 HE ARG 116 HE ARG 116 26.666 -3.766 -3.766 1878 1HH1 ARG 116 1HH2 ARG 116 27.275 -2.021 -2.021 1879 2HH1 ARG 116 2HH2 ARG 116 26.951 -3.381 -3.381 1880 1HH2 ARG 116 1HH1 ARG 116 26.236 -5.563 -5.563 1881 2HH2 ARG 116 2HH1 ARG 116 26.360 -5.395 -5.395 1882 H ARG 117 HN ARG 117 25.087 1.877 1.877 1883 HA ARG 117 HA ARG 117 23.288 3.072 3.072 1884 1HB ARG 117 2HB ARG 117 24.555 4.797 4.797 1885 2HB ARG 117 1HB ARG 117 24.085 4.146 4.146 1886 1HG ARG 117 2HG ARG 117 21.794 4.761 4.761 1887 2HG ARG 117 1HG ARG 117 22.156 5.264 5.264 1888 1HD ARG 117 2HD ARG 117 23.374 6.505 6.505 1889 2HD ARG 117 1HD ARG 117 21.963 7.146 7.146 1890 HE ARG 117 HE ARG 117 24.269 6.773 6.773 1891 1HH1 ARG 117 1HH2 ARG 117 22.590 8.939 8.939 1892 2HH1 ARG 117 2HH2 ARG 117 23.308 10.367 10.367 1893 1HH2 ARG 117 1HH1 ARG 117 25.221 8.645 8.645 1894 2HH2 ARG 117 2HH1 ARG 117 24.804 10.199 10.199 1895 H LYS 118 HN LYS 118 21.122 2.874 2.874 1896 HA LYS 118 HA LYS 118 20.165 1.377 1.377 1897 1HB LYS 118 2HB LYS 118 20.308 0.269 0.269 1898 2HB LYS 118 1HB LYS 118 18.718 1.011 1.011 1899 1HG LYS 118 2HG LYS 118 17.825 -0.354 -0.354 1900 2HG LYS 118 1HG LYS 118 19.382 -0.633 -0.633 1901 1HD LYS 118 2HD LYS 118 19.989 -2.275 -2.275 1902 2HD LYS 118 1HD LYS 118 18.960 -1.634 -1.634 1903 1HE LYS 118 2HE LYS 118 17.736 -3.469 -3.469 1904 2HE LYS 118 1HE LYS 118 17.046 -2.294 -2.294 1905 1HZ LYS 118 3HZ LYS 118 19.063 -3.209 -3.209 1906 2HZ LYS 118 2HZ LYS 118 18.743 -4.593 -4.593 1907 3HZ LYS 118 1HZ LYS 118 17.520 -3.904 -3.904 1908 H ASN 119 HN ASN 119 17.841 1.642 1.642 1909 HA ASN 119 HA ASN 119 16.808 4.220 4.220 1910 1HB ASN 119 2HB ASN 119 16.493 3.313 3.313 1911 2HB ASN 119 1HB ASN 119 16.159 4.904 4.904 1912 1HD2 ASN 119 2HD2 ASN 119 19.640 5.770 5.770 1913 2HD2 ASN 119 1HD2 ASN 119 18.186 5.833 5.833 1914 H LEU 120 HN LEU 120 14.531 4.452 4.452 1915 HA LEU 120 HA LEU 120 12.973 2.018 2.018 1916 1HB LEU 120 2HB LEU 120 13.663 3.043 3.043 1917 2HB LEU 120 1HB LEU 120 11.940 3.270 3.270 1918 HG LEU 120 HG LEU 120 12.024 0.744 0.744 1919 1HD1 LEU 120 3HD1 LEU 120 14.665 1.226 1.226 1920 2HD1 LEU 120 2HD1 LEU 120 13.807 -0.133 -0.133 1921 3HD1 LEU 120 1HD1 LEU 120 14.090 -0.097 -0.097 1922 1HD2 LEU 120 2HD2 LEU 120 11.134 2.052 2.052 1923 2HD2 LEU 120 1HD2 LEU 120 11.015 0.305 0.305 1924 3HD2 LEU 120 3HD2 LEU 120 12.331 0.991 0.991 1925 HA PRO 121 HA PRO 121 10.838 5.563 5.563 1926 1HB PRO 121 2HB PRO 121 9.276 3.956 3.956 1927 2HB PRO 121 1HB PRO 121 10.889 4.527 4.527 1928 1HG PRO 121 2HG PRO 121 10.054 1.887 1.887 1929 2HG PRO 121 1HG PRO 121 11.244 2.241 2.241 1930 1HD PRO 121 2HD PRO 121 11.979 1.654 1.654 1931 2HD PRO 121 1HD PRO 121 12.885 2.814 2.814 1932 H ILE 122 HN ILE 122 9.153 6.511 6.511 1933 HA ILE 122 HA ILE 122 7.251 4.874 4.874 1934 HB ILE 122 HB ILE 122 7.369 7.880 7.880 1935 1HG1 ILE 122 2HG1 ILE 122 9.599 7.141 7.141 1936 2HG1 ILE 122 1HG1 ILE 122 8.791 7.672 7.672 1937 1HG2 ILE 122 3HG2 ILE 122 6.174 5.783 5.783 1938 2HG2 ILE 122 2HG2 ILE 122 6.526 7.398 7.398 1939 3HG2 ILE 122 1HG2 ILE 122 5.408 7.192 7.192 1940 1HD1 ILE 122 1HD1 ILE 122 8.294 5.298 5.298 1941 2HD1 ILE 122 3HD1 ILE 122 9.258 4.838 4.838 1942 3HD1 ILE 122 2HD1 ILE 122 10.016 5.675 5.675 1943 H GLU 123 HN GLU 123 4.979 5.239 5.239 1944 HA GLU 123 HA GLU 123 3.999 6.672 6.672 1945 1HB GLU 123 2HB GLU 123 3.628 3.715 3.715 1946 2HB GLU 123 1HB GLU 123 2.601 4.654 4.654 1947 1HG GLU 123 2HG GLU 123 4.634 5.299 5.299 1948 2HG GLU 123 1HG GLU 123 5.562 4.196 4.196 1949 H TYR 124 HN TYR 124 1.623 6.792 6.792 1950 HA TYR 124 HA TYR 124 0.487 6.610 6.610 1951 1HB TYR 124 2HB TYR 124 0.023 8.826 8.826 1952 2HB TYR 124 1HB TYR 124 -0.732 8.700 8.700 1953 HD1 TYR 124 1HD TYR 124 2.586 9.001 9.001 1954 HD2 TYR 124 2HD TYR 124 0.301 9.648 9.648 1955 HE1 TYR 124 1HE TYR 124 4.470 10.237 10.237 1956 HE2 TYR 124 2HE TYR 124 2.178 10.887 10.887 1957 HH TYR 124 HH TYR 124 4.784 10.879 10.879 1958 H ASN 125 HN ASN 125 -1.225 5.342 5.342 1959 HA ASN 125 HA ASN 125 -2.692 4.726 4.726 1960 1HB ASN 125 2HB ASN 125 -1.662 2.913 2.913 1961 2HB ASN 125 1HB ASN 125 -2.985 3.270 3.270 1962 1HD2 ASN 125 2HD2 ASN 125 -4.779 0.799 0.799 1963 2HD2 ASN 125 1HD2 ASN 125 -4.008 1.333 1.333 1964 H LEU 126 HN LEU 126 -4.012 6.559 6.559 1965 HA LEU 126 HA LEU 126 -5.566 7.508 7.508 1966 1HB LEU 126 2HB LEU 126 -6.116 7.784 7.784 1967 2HB LEU 126 1HB LEU 126 -6.795 8.774 8.774 1968 HG LEU 126 HG LEU 126 -3.862 8.654 8.654 1969 1HD1 LEU 126 2HD1 LEU 126 -6.038 10.062 10.062 1970 2HD1 LEU 126 1HD1 LEU 126 -4.929 11.206 11.206 1971 3HD1 LEU 126 3HD1 LEU 126 -4.329 10.052 10.052 1972 1HD2 LEU 126 2HD2 LEU 126 -4.308 9.192 9.192 1973 2HD2 LEU 126 1HD2 LEU 126 -3.654 10.575 10.575 1974 3HD2 LEU 126 3HD2 LEU 126 -5.377 10.500 10.500 Start of MODEL 8 1 1H ALA 1 2HN ALA 1 -42.024 -0.473 -0.473 2 2H ALA 1 1HN ALA 1 -43.609 -1.098 -1.098 3 3H ALA 1 3HN ALA 1 -43.013 -0.773 -0.773 4 HA ALA 1 HA ALA 1 -43.232 1.431 1.431 5 1HB ALA 1 1HB ALA 1 -45.411 -0.039 -0.039 6 2HB ALA 1 3HB ALA 1 -45.378 0.925 0.925 7 3HB ALA 1 2HB ALA 1 -45.441 1.721 1.721 8 H GLN 2 HN GLN 2 -43.094 -0.042 -0.042 9 HA GLN 2 HA GLN 2 -42.554 2.536 2.536 10 1HB GLN 2 2HB GLN 2 -42.496 1.189 1.189 11 2HB GLN 2 1HB GLN 2 -44.019 1.106 1.106 12 1HG GLN 2 2HG GLN 2 -42.349 -1.004 -1.004 13 2HG GLN 2 1HG GLN 2 -42.356 -1.012 -1.012 14 1HE2 GLN 2 2HE2 GLN 2 -45.922 -1.532 -1.532 15 2HE2 GLN 2 1HE2 GLN 2 -44.691 -0.537 -0.537 16 H SER 3 HN SER 3 -40.724 2.552 2.552 17 HA SER 3 HA SER 3 -38.504 2.456 2.456 18 1HB SER 3 2HB SER 3 -37.906 0.122 0.122 19 2HB SER 3 1HB SER 3 -37.530 0.402 0.402 20 HG SER 3 HG SER 3 -39.662 -0.141 -0.141 21 H VAL 4 HN VAL 4 -36.549 3.185 3.185 22 HA VAL 4 HA VAL 4 -36.535 3.676 3.676 23 HB VAL 4 HB VAL 4 -35.410 5.819 5.819 24 1HG1 VAL 4 2HG1 VAL 4 -38.144 5.220 5.220 25 2HG1 VAL 4 1HG1 VAL 4 -37.498 6.786 6.786 26 3HG1 VAL 4 3HG1 VAL 4 -37.577 6.363 6.363 27 1HG2 VAL 4 2HG2 VAL 4 -35.933 5.207 5.207 28 2HG2 VAL 4 1HG2 VAL 4 -34.357 5.323 5.323 29 3HG2 VAL 4 3HG2 VAL 4 -35.371 6.757 6.757 30 HA PRO 5 HA PRO 5 -32.550 1.783 1.783 31 1HB PRO 5 2HB PRO 5 -31.380 3.181 3.181 32 2HB PRO 5 1HB PRO 5 -32.589 1.916 1.916 33 1HG PRO 5 2HG PRO 5 -32.936 4.889 4.889 34 2HG PRO 5 1HG PRO 5 -33.638 3.693 3.693 35 1HD PRO 5 2HD PRO 5 -35.044 4.752 4.752 36 2HD PRO 5 1HD PRO 5 -35.276 3.074 3.074 37 HA PRO 6 HA PRO 6 -29.923 4.383 4.383 38 1HB PRO 6 2HB PRO 6 -27.643 2.930 2.930 39 2HB PRO 6 1HB PRO 6 -29.048 2.429 2.429 40 1HG PRO 6 2HG PRO 6 -28.166 1.512 1.512 41 2HG PRO 6 1HG PRO 6 -28.772 0.552 0.552 42 1HD PRO 6 2HD PRO 6 -30.329 1.252 1.252 43 2HD PRO 6 1HD PRO 6 -30.972 1.044 1.044 44 H GLY 7 HN GLY 7 -28.317 5.930 5.930 45 1HA GLY 7 2HA GLY 7 -27.808 6.890 6.890 46 2HA GLY 7 1HA GLY 7 -27.061 7.483 7.483 47 H ASP 8 HN ASP 8 -25.195 7.719 7.719 48 HA ASP 8 HA ASP 8 -23.762 5.172 5.172 49 1HB ASP 8 2HB ASP 8 -23.034 7.750 7.750 50 2HB ASP 8 1HB ASP 8 -22.610 6.102 6.102 51 H ILE 9 HN ILE 9 -22.364 4.816 4.816 52 HA ILE 9 HA ILE 9 -21.265 6.953 6.953 53 HB ILE 9 HB ILE 9 -20.135 5.216 5.216 54 1HG1 ILE 9 2HG1 ILE 9 -21.281 2.933 2.933 55 2HG1 ILE 9 1HG1 ILE 9 -20.114 3.822 3.822 56 1HG2 ILE 9 1HG2 ILE 9 -23.020 4.869 4.869 57 2HG2 ILE 9 3HG2 ILE 9 -22.244 3.734 3.734 58 3HG2 ILE 9 2HG2 ILE 9 -22.277 5.456 5.456 59 1HD1 ILE 9 1HD1 ILE 9 -19.019 3.501 3.501 60 2HD1 ILE 9 3HD1 ILE 9 -19.637 1.939 1.939 61 3HD1 ILE 9 2HD1 ILE 9 -18.468 2.812 2.812 62 H ASN 10 HN ASN 10 -19.096 7.555 7.555 63 HA ASN 10 HA ASN 10 -17.556 7.155 7.155 64 1HB ASN 10 2HB ASN 10 -17.793 9.249 9.249 65 2HB ASN 10 1HB ASN 10 -16.108 8.842 8.842 66 1HD2 ASN 10 2HD2 ASN 10 -17.867 11.308 11.308 67 2HD2 ASN 10 1HD2 ASN 10 -18.257 11.009 11.009 68 H THR 11 HN THR 11 -15.392 6.450 6.450 69 HA THR 11 HA THR 11 -14.371 5.236 5.236 70 HB THR 11 HB THR 11 -13.661 3.276 3.276 71 HG1 THR 11 1HG THR 11 -15.015 2.969 2.969 72 1HG2 THR 11 1HG2 THR 11 -15.514 3.478 3.478 73 2HG2 THR 11 3HG2 THR 11 -16.470 2.892 2.892 74 3HG2 THR 11 2HG2 THR 11 -15.047 1.994 1.994 75 H GLN 12 HN GLN 12 -12.111 4.895 4.895 76 HA GLN 12 HA GLN 12 -10.550 5.872 5.872 77 1HB GLN 12 2HB GLN 12 -11.005 7.383 7.383 78 2HB GLN 12 1HB GLN 12 -9.297 7.127 7.127 79 1HG GLN 12 2HG GLN 12 -9.308 8.451 8.451 80 2HG GLN 12 1HG GLN 12 -10.965 8.029 8.029 81 1HE2 GLN 12 2HE2 GLN 12 -10.447 11.563 11.563 82 2HE2 GLN 12 1HE2 GLN 12 -9.410 10.618 10.618 83 HA PRO 13 HA PRO 13 -8.993 5.017 5.017 84 1HB PRO 13 2HB PRO 13 -8.804 2.466 2.466 85 2HB PRO 13 1HB PRO 13 -7.414 3.472 3.472 86 1HG PRO 13 2HG PRO 13 -8.731 1.303 1.303 87 2HG PRO 13 1HG PRO 13 -7.003 1.641 1.641 88 1HD PRO 13 2HD PRO 13 -8.303 2.355 2.355 89 2HD PRO 13 1HD PRO 13 -7.020 3.369 3.369 90 H SER 14 HN SER 14 -10.534 4.717 4.717 91 HA SER 14 HA SER 14 -13.036 3.471 3.471 92 1HB SER 14 2HB SER 14 -13.524 5.260 5.260 93 2HB SER 14 1HB SER 14 -14.049 5.404 5.404 94 HG SER 14 HG SER 14 -12.805 7.191 7.191 95 H GLN 15 HN GLN 15 -10.620 3.450 3.450 96 HA GLN 15 HA GLN 15 -12.310 1.974 1.974 97 1HB GLN 15 2HB GLN 15 -9.469 2.972 2.972 98 2HB GLN 15 1HB GLN 15 -10.313 2.083 2.083 99 1HG GLN 15 2HG GLN 15 -11.929 3.849 3.849 100 2HG GLN 15 1HG GLN 15 -11.225 4.718 4.718 101 1HE2 GLN 15 2HE2 GLN 15 -9.175 4.590 4.590 102 2HE2 GLN 15 1HE2 GLN 15 -10.196 3.278 3.278 103 H LYS 16 HN LYS 16 -9.314 1.553 1.553 104 HA LYS 16 HA LYS 16 -9.778 -1.113 -1.113 105 1HB LYS 16 2HB LYS 16 -7.983 -2.150 -2.150 106 2HB LYS 16 1HB LYS 16 -9.539 -1.799 -1.799 107 1HG LYS 16 2HG LYS 16 -8.662 0.178 0.178 108 2HG LYS 16 1HG LYS 16 -7.127 -0.009 -0.009 109 1HD LYS 16 2HD LYS 16 -7.912 -2.379 -2.379 110 2HD LYS 16 1HD LYS 16 -7.687 -0.946 -0.946 111 1HE LYS 16 2HE LYS 16 -5.629 -1.510 -1.510 112 2HE LYS 16 1HE LYS 16 -5.680 -2.572 -2.572 113 1HZ LYS 16 3HZ LYS 16 -5.718 0.339 0.339 114 2HZ LYS 16 2HZ LYS 16 -4.251 -0.423 -0.423 115 3HZ LYS 16 1HZ LYS 16 -5.126 -0.876 -0.876 116 H ILE 17 HN ILE 17 -7.433 -2.246 -2.246 117 HA ILE 17 HA ILE 17 -5.534 -0.259 -0.259 118 HB ILE 17 HB ILE 17 -7.002 -0.653 -0.653 119 1HG1 ILE 17 2HG1 ILE 17 -4.396 -2.123 -2.123 120 2HG1 ILE 17 1HG1 ILE 17 -4.511 -0.372 -0.372 121 1HG2 ILE 17 2HG2 ILE 17 -6.969 -3.330 -3.330 122 2HG2 ILE 17 1HG2 ILE 17 -6.373 -3.323 -3.323 123 3HG2 ILE 17 3HG2 ILE 17 -7.952 -2.631 -2.631 124 1HD1 ILE 17 1HD1 ILE 17 -6.316 -1.545 -1.545 125 2HD1 ILE 17 3HD1 ILE 17 -4.599 -1.755 -1.755 126 3HD1 ILE 17 2HD1 ILE 17 -5.260 -0.137 -0.137 127 H VAL 18 HN VAL 18 -3.454 -1.140 -1.140 128 HA VAL 18 HA VAL 18 -2.964 -3.845 -3.845 129 HB VAL 18 HB VAL 18 -2.350 -2.393 -2.393 130 1HG1 VAL 18 3HG1 VAL 18 -2.132 -0.354 -0.354 131 2HG1 VAL 18 2HG1 VAL 18 -0.492 -0.896 -0.896 132 3HG1 VAL 18 1HG1 VAL 18 -0.947 -0.501 -0.501 133 1HG2 VAL 18 2HG2 VAL 18 -0.772 -4.285 -4.285 134 2HG2 VAL 18 1HG2 VAL 18 -0.194 -3.144 -3.144 135 3HG2 VAL 18 3HG2 VAL 18 0.298 -2.964 -2.964 136 H PHE 19 HN PHE 19 -2.658 -4.684 -4.684 137 HA PHE 19 HA PHE 19 -1.265 -3.601 -3.601 138 1HB PHE 19 2HB PHE 19 -1.362 -6.516 -6.516 139 2HB PHE 19 1HB PHE 19 -0.916 -5.915 -5.915 140 HD1 PHE 19 2HD PHE 19 -3.169 -3.654 -3.654 141 HD2 PHE 19 1HD PHE 19 -3.093 -7.902 -7.902 142 HE1 PHE 19 2HE PHE 19 -5.529 -3.738 -3.738 143 HE2 PHE 19 1HE PHE 19 -5.453 -7.991 -7.991 144 HZ PHE 19 HZ PHE 19 -6.675 -5.908 -5.908 145 H ASN 20 HN ASN 20 0.715 -2.786 -2.786 146 HA ASN 20 HA ASN 20 2.731 -3.625 -3.625 147 1HB ASN 20 2HB ASN 20 2.955 -1.722 -1.722 148 2HB ASN 20 1HB ASN 20 4.112 -1.893 -1.893 149 1HD2 ASN 20 2HD2 ASN 20 0.890 0.466 0.466 150 2HD2 ASN 20 1HD2 ASN 20 1.278 -0.384 -0.384 151 H ALA 21 HN ALA 21 4.471 -4.886 -4.886 152 HA ALA 21 HA ALA 21 4.527 -6.849 -6.849 153 1HB ALA 21 3HB ALA 21 6.132 -6.073 -6.073 154 2HB ALA 21 2HB ALA 21 7.214 -6.203 -6.203 155 3HB ALA 21 1HB ALA 21 6.214 -7.578 -7.578 156 HA PRO 22 HA PRO 22 6.704 -7.919 -7.919 157 1HB PRO 22 2HB PRO 22 7.289 -8.743 -8.743 158 2HB PRO 22 1HB PRO 22 8.427 -8.445 -8.445 159 1HG PRO 22 2HG PRO 22 8.237 -6.924 -6.924 160 2HG PRO 22 1HG PRO 22 8.953 -6.372 -6.372 161 1HD PRO 22 2HD PRO 22 6.231 -5.844 -5.844 162 2HD PRO 22 1HD PRO 22 7.313 -4.759 -4.759 163 H TYR 23 HN TYR 23 5.818 -10.029 -10.029 164 HA TYR 23 HA TYR 23 3.186 -9.840 -9.840 165 1HB TYR 23 2HB TYR 23 4.156 -11.820 -11.820 166 2HB TYR 23 1HB TYR 23 2.526 -11.737 -11.737 167 HD1 TYR 23 2HD TYR 23 2.389 -8.674 -8.674 168 HD2 TYR 23 1HD TYR 23 3.551 -11.455 -11.455 169 HE1 TYR 23 2HE TYR 23 1.763 -7.053 -7.053 170 HE2 TYR 23 1HE TYR 23 2.926 -9.838 -9.838 171 HH TYR 23 HH TYR 23 2.743 -7.184 -7.184 172 H ASP 24 HN ASP 24 5.776 -10.339 -10.339 173 HA ASP 24 HA ASP 24 5.286 -13.046 -13.046 174 1HB ASP 24 2HB ASP 24 7.772 -11.391 -11.391 175 2HB ASP 24 1HB ASP 24 7.683 -12.651 -12.651 176 H ASP 25 HN ASP 25 4.387 -10.038 -10.038 177 HA ASP 25 HA ASP 25 4.401 -10.578 -10.578 178 1HB ASP 25 2HB ASP 25 5.396 -8.050 -8.050 179 2HB ASP 25 1HB ASP 25 4.858 -8.090 -8.090 180 H LYS 26 HN LYS 26 2.512 -10.118 -10.118 181 HA LYS 26 HA LYS 26 0.197 -9.655 -9.655 182 1HB LYS 26 2HB LYS 26 -0.785 -9.027 -9.027 183 2HB LYS 26 1HB LYS 26 -0.109 -10.638 -10.638 184 1HG LYS 26 2HG LYS 26 1.531 -10.266 -10.266 185 2HG LYS 26 1HG LYS 26 1.781 -8.603 -8.603 186 1HD LYS 26 2HD LYS 26 -0.358 -8.009 -8.009 187 2HD LYS 26 1HD LYS 26 -0.358 -9.639 -9.639 188 1HE LYS 26 2HE LYS 26 1.448 -9.226 -9.226 189 2HE LYS 26 1HE LYS 26 2.093 -7.975 -7.975 190 1HZ LYS 26 3HZ LYS 26 -0.434 -7.561 -7.561 191 2HZ LYS 26 2HZ LYS 26 1.058 -7.271 -7.271 192 3HZ LYS 26 1HZ LYS 26 0.622 -6.403 -6.403 193 H HIS 27 HN HIS 27 -0.133 -7.902 -7.902 194 HA HIS 27 HA HIS 27 0.358 -5.264 -5.264 195 1HB HIS 27 2HB HIS 27 0.462 -6.076 -6.076 196 2HB HIS 27 1HB HIS 27 0.570 -4.413 -4.413 197 HD1 HIS 27 1HD HIS 27 2.530 -4.986 -4.986 198 HD2 HIS 27 2HD HIS 27 3.010 -6.324 -6.324 199 HE1 HIS 27 1HE HIS 27 5.001 -5.436 -5.436 200 H THR 28 HN THR 28 -1.382 -4.074 -4.074 201 HA THR 28 HA THR 28 -3.926 -4.867 -4.867 202 HB THR 28 HB THR 28 -3.827 -2.817 -2.817 203 HG1 THR 28 1HG THR 28 -2.416 -4.200 -4.200 204 1HG2 THR 28 2HG2 THR 28 -5.953 -3.729 -3.729 205 2HG2 THR 28 1HG2 THR 28 -5.529 -5.281 -5.281 206 3HG2 THR 28 3HG2 THR 28 -5.789 -3.870 -3.870 207 H TYR 29 HN TYR 29 -4.495 -3.790 -3.790 208 HA TYR 29 HA TYR 29 -3.521 -1.085 -1.085 209 1HB TYR 29 2HB TYR 29 -5.167 -2.904 -2.904 210 2HB TYR 29 1HB TYR 29 -4.491 -1.348 -1.348 211 HD1 TYR 29 1HD TYR 29 -3.733 -4.854 -4.854 212 HD2 TYR 29 2HD TYR 29 -2.119 -1.107 -1.107 213 HE1 TYR 29 1HE TYR 29 -1.658 -5.977 -5.977 214 HE2 TYR 29 2HE TYR 29 -0.041 -2.220 -2.220 215 HH TYR 29 HH TYR 29 0.541 -5.610 -5.610 216 H HIS 30 HN HIS 30 -4.650 0.317 0.317 217 HA HIS 30 HA HIS 30 -7.405 0.109 0.109 218 1HB HIS 30 2HB HIS 30 -5.400 2.332 2.332 219 2HB HIS 30 1HB HIS 30 -7.098 2.590 2.590 220 HD1 HIS 30 1HD HIS 30 -4.302 0.196 0.196 221 HD2 HIS 30 2HD HIS 30 -7.722 2.007 2.007 222 HE1 HIS 30 1HE HIS 30 -4.430 -0.452 -0.452 223 H ILE 31 HN ILE 31 -9.133 1.446 1.446 224 HA ILE 31 HA ILE 31 -8.792 2.874 2.874 225 HB ILE 31 HB ILE 31 -10.948 0.807 0.807 226 1HG1 ILE 31 2HG1 ILE 31 -8.811 0.721 0.721 227 2HG1 ILE 31 1HG1 ILE 31 -8.544 0.028 0.028 228 1HG2 ILE 31 2HG2 ILE 31 -10.537 2.911 2.911 229 2HG2 ILE 31 1HG2 ILE 31 -11.150 1.350 1.350 230 3HG2 ILE 31 3HG2 ILE 31 -12.030 2.264 2.264 231 1HD1 ILE 31 1HD1 ILE 31 -10.474 -1.443 -1.443 232 2HD1 ILE 31 3HD1 ILE 31 -10.700 -0.765 -0.765 233 3HD1 ILE 31 2HD1 ILE 31 -9.236 -1.675 -1.675 234 H LYS 32 HN LYS 32 -10.337 4.508 4.508 235 HA LYS 32 HA LYS 32 -11.809 5.290 5.290 236 1HB LYS 32 2HB LYS 32 -10.145 6.905 6.905 237 2HB LYS 32 1HB LYS 32 -10.880 6.952 6.952 238 1HG LYS 32 2HG LYS 32 -12.881 7.952 7.952 239 2HG LYS 32 1HG LYS 32 -12.245 7.807 7.807 240 1HD LYS 32 2HD LYS 32 -10.567 9.251 9.251 241 2HD LYS 32 1HD LYS 32 -12.051 10.051 10.051 242 1HE LYS 32 2HE LYS 32 -11.324 9.627 9.627 243 2HE LYS 32 1HE LYS 32 -9.774 9.089 9.089 244 1HZ LYS 32 1HZ LYS 32 -10.023 11.440 11.440 245 2HZ LYS 32 3HZ LYS 32 -10.857 11.773 11.773 246 3HZ LYS 32 2HZ LYS 32 -9.252 11.243 11.243 247 H ILE 33 HN ILE 33 -13.958 5.752 5.752 248 HA ILE 33 HA ILE 33 -15.386 5.468 5.468 249 HB ILE 33 HB ILE 33 -16.291 4.259 4.259 250 1HG1 ILE 33 2HG1 ILE 33 -15.481 2.769 2.769 251 2HG1 ILE 33 1HG1 ILE 33 -14.327 3.146 3.146 252 1HG2 ILE 33 1HG2 ILE 33 -17.505 4.366 4.366 253 2HG2 ILE 33 3HG2 ILE 33 -17.978 3.157 3.157 254 3HG2 ILE 33 2HG2 ILE 33 -18.210 4.872 4.872 255 1HD1 ILE 33 2HD1 ILE 33 -16.749 1.904 1.904 256 2HD1 ILE 33 1HD1 ILE 33 -15.893 0.901 0.901 257 3HD1 ILE 33 3HD1 ILE 33 -15.058 1.482 1.482 258 H THR 34 HN THR 34 -17.438 6.536 6.536 259 HA THR 34 HA THR 34 -18.074 8.365 8.365 260 HB THR 34 HB THR 34 -17.433 9.264 9.264 261 HG1 THR 34 1HG THR 34 -15.688 9.062 9.062 262 1HG2 THR 34 1HG2 THR 34 -19.421 10.453 10.453 263 2HG2 THR 34 3HG2 THR 34 -18.560 10.921 10.921 264 3HG2 THR 34 2HG2 THR 34 -18.015 11.514 11.514 265 H ASN 35 HN ASN 35 -20.179 9.308 9.308 266 HA ASN 35 HA ASN 35 -22.011 7.670 7.670 267 1HB ASN 35 2HB ASN 35 -22.194 7.767 7.767 268 2HB ASN 35 1HB ASN 35 -22.791 9.409 9.409 269 1HD2 ASN 35 1HD2 ASN 35 -24.414 7.725 7.725 270 2HD2 ASN 35 2HD2 ASN 35 -25.719 7.233 7.233 271 H ALA 36 HN ALA 36 -22.306 8.690 8.690 272 HA ALA 36 HA ALA 36 -22.671 11.583 11.583 273 1HB ALA 36 2HB ALA 36 -21.272 10.089 10.089 274 2HB ALA 36 1HB ALA 36 -22.834 9.912 9.912 275 3HB ALA 36 3HB ALA 36 -22.138 11.517 11.517 276 H GLY 37 HN GLY 37 -24.683 9.564 9.564 277 1HA GLY 37 2HA GLY 37 -26.897 9.968 9.968 278 2HA GLY 37 1HA GLY 37 -26.910 8.913 8.913 279 H GLY 38 HN GLY 38 -28.294 9.579 9.579 280 1HA GLY 38 2HA GLY 38 -28.290 12.395 12.395 281 2HA GLY 38 1HA GLY 38 -29.813 11.729 11.729 282 H ARG 39 HN ARG 39 -29.640 9.164 9.164 283 HA ARG 39 HA ARG 39 -29.796 9.821 9.821 284 1HB ARG 39 2HB ARG 39 -31.292 7.630 7.630 285 2HB ARG 39 1HB ARG 39 -31.522 8.150 8.150 286 1HG ARG 39 2HG ARG 39 -32.851 9.849 9.849 287 2HG ARG 39 1HG ARG 39 -31.848 10.284 10.284 288 1HD ARG 39 2HD ARG 39 -33.434 7.775 7.775 289 2HD ARG 39 1HD ARG 39 -34.292 9.308 9.308 290 HE ARG 39 HE ARG 39 -32.504 8.124 8.124 291 1HH1 ARG 39 1HH2 ARG 39 -33.978 11.072 11.072 292 2HH1 ARG 39 2HH2 ARG 39 -33.808 11.890 11.890 293 1HH2 ARG 39 1HH1 ARG 39 -32.274 9.191 9.191 294 2HH2 ARG 39 2HH1 ARG 39 -32.839 10.820 10.820 295 H ARG 40 HN ARG 40 -29.479 7.890 7.890 296 HA ARG 40 HA ARG 40 -26.927 6.873 6.873 297 1HB ARG 40 2HB ARG 40 -27.709 5.127 5.127 298 2HB ARG 40 1HB ARG 40 -27.941 6.809 6.809 299 1HG ARG 40 2HG ARG 40 -30.285 6.676 6.676 300 2HG ARG 40 1HG ARG 40 -30.067 5.008 5.008 301 1HD ARG 40 2HD ARG 40 -31.033 5.456 5.456 302 2HD ARG 40 1HD ARG 40 -29.787 4.223 4.223 303 HE ARG 40 HE ARG 40 -28.415 5.480 5.480 304 1HH1 ARG 40 1HH2 ARG 40 -30.971 7.511 7.511 305 2HH1 ARG 40 2HH2 ARG 40 -30.510 8.881 8.881 306 1HH2 ARG 40 1HH1 ARG 40 -27.797 7.279 7.279 307 2HH2 ARG 40 2HH1 ARG 40 -28.706 8.750 8.750 308 H ILE 41 HN ILE 41 -26.140 4.710 4.710 309 HA ILE 41 HA ILE 41 -27.835 2.967 2.967 310 HB ILE 41 HB ILE 41 -25.953 2.676 2.676 311 1HG1 ILE 41 2HG1 ILE 41 -24.988 5.325 5.325 312 2HG1 ILE 41 1HG1 ILE 41 -24.255 3.784 3.784 313 1HG2 ILE 41 2HG2 ILE 41 -28.072 4.247 4.247 314 2HG2 ILE 41 1HG2 ILE 41 -26.835 5.504 5.504 315 3HG2 ILE 41 3HG2 ILE 41 -26.846 4.227 4.227 316 1HD1 ILE 41 2HD1 ILE 41 -24.492 4.787 4.787 317 2HD1 ILE 41 1HD1 ILE 41 -23.077 5.029 5.029 318 3HD1 ILE 41 3HD1 ILE 41 -23.571 3.396 3.396 319 H GLY 42 HN GLY 42 -26.505 0.923 0.923 320 1HA GLY 42 2HA GLY 42 -24.756 0.185 0.185 321 2HA GLY 42 1HA GLY 42 -26.068 -0.867 -0.867 322 H TRP 43 HN TRP 43 -22.838 0.137 0.137 323 HA TRP 43 HA TRP 43 -22.668 -1.243 -1.243 324 1HB TRP 43 2HB TRP 43 -20.299 -0.445 -0.445 325 2HB TRP 43 1HB TRP 43 -21.491 0.847 0.847 326 HD1 TRP 43 1HD TRP 43 -21.604 2.257 2.257 327 HE1 TRP 43 1HE TRP 43 -19.989 2.483 2.483 328 HE3 TRP 43 3HE TRP 43 -18.619 -1.792 -1.792 329 HZ2 TRP 43 2HZ TRP 43 -17.745 1.124 1.124 330 HZ3 TRP 43 3HZ TRP 43 -16.760 -2.259 -2.259 331 HH2 TRP 43 2HH TRP 43 -16.333 -0.831 -0.831 332 H ALA 44 HN ALA 44 -20.995 -2.810 -2.810 333 HA ALA 44 HA ALA 44 -19.881 -4.247 -4.247 334 1HB ALA 44 1HB ALA 44 -22.256 -5.110 -5.110 335 2HB ALA 44 3HB ALA 44 -21.609 -5.802 -5.802 336 3HB ALA 44 2HB ALA 44 -20.958 -6.301 -6.301 337 H ILE 45 HN ILE 45 -17.935 -5.058 -5.058 338 HA ILE 45 HA ILE 45 -17.150 -4.963 -4.963 339 HB ILE 45 HB ILE 45 -15.221 -5.391 -5.391 340 1HG1 ILE 45 2HG1 ILE 45 -16.589 -3.448 -3.448 341 2HG1 ILE 45 1HG1 ILE 45 -14.951 -2.963 -2.963 342 1HG2 ILE 45 1HG2 ILE 45 -14.750 -5.494 -5.494 343 2HG2 ILE 45 3HG2 ILE 45 -14.745 -3.736 -3.736 344 3HG2 ILE 45 2HG2 ILE 45 -13.611 -4.697 -4.697 345 1HD1 ILE 45 2HD1 ILE 45 -15.984 -2.529 -2.529 346 2HD1 ILE 45 1HD1 ILE 45 -17.506 -2.492 -2.492 347 3HD1 ILE 45 3HD1 ILE 45 -16.217 -1.360 -1.360 348 H LYS 46 HN LYS 46 -16.313 -6.685 -6.685 349 HA LYS 46 HA LYS 46 -15.938 -9.218 -9.218 350 1HB LYS 46 2HB LYS 46 -17.869 -8.752 -8.752 351 2HB LYS 46 1HB LYS 46 -17.190 -10.342 -10.342 352 1HG LYS 46 2HG LYS 46 -18.300 -9.065 -9.065 353 2HG LYS 46 1HG LYS 46 -19.485 -9.334 -9.334 354 1HD LYS 46 2HD LYS 46 -19.273 -11.618 -11.618 355 2HD LYS 46 1HD LYS 46 -17.620 -11.546 -11.546 356 1HE LYS 46 2HE LYS 46 -18.376 -10.944 -10.944 357 2HE LYS 46 1HE LYS 46 -20.026 -10.713 -10.713 358 1HZ LYS 46 3HZ LYS 46 -18.990 -13.340 -13.340 359 2HZ LYS 46 2HZ LYS 46 -19.058 -12.976 -12.976 360 3HZ LYS 46 1HZ LYS 46 -20.457 -12.878 -12.878 361 H THR 47 HN THR 47 -14.212 -10.320 -10.320 362 HA THR 47 HA THR 47 -12.917 -9.318 -9.318 363 HB THR 47 HB THR 47 -10.828 -9.958 -9.958 364 HG1 THR 47 1HG THR 47 -12.131 -11.225 -11.225 365 1HG2 THR 47 1HG2 THR 47 -12.463 -8.226 -8.226 366 2HG2 THR 47 3HG2 THR 47 -11.657 -9.245 -9.245 367 3HG2 THR 47 2HG2 THR 47 -10.703 -8.327 -8.327 368 H THR 48 HN THR 48 -11.821 -10.832 -10.832 369 HA THR 48 HA THR 48 -13.353 -12.908 -12.908 370 HB THR 48 HB THR 48 -10.796 -13.738 -13.738 371 HG1 THR 48 1HG THR 48 -9.875 -11.985 -11.985 372 1HG2 THR 48 3HG2 THR 48 -12.655 -11.802 -11.802 373 2HG2 THR 48 2HG2 THR 48 -11.085 -12.187 -12.187 374 3HG2 THR 48 1HG2 THR 48 -12.274 -13.464 -13.464 375 H ASN 49 HN ASN 49 -11.082 -12.930 -12.930 376 HA ASN 49 HA ASN 49 -11.937 -15.641 -15.641 377 1HB ASN 49 2HB ASN 49 -9.089 -14.777 -14.777 378 2HB ASN 49 1HB ASN 49 -9.476 -16.109 -16.109 379 1HD2 ASN 49 2HD2 ASN 49 -9.548 -16.585 -16.585 380 2HD2 ASN 49 1HD2 ASN 49 -9.208 -15.065 -15.065 381 H MET 50 HN MET 50 -12.581 -15.691 -15.691 382 HA MET 50 HA MET 50 -11.992 -13.494 -13.494 383 1HB MET 50 2HB MET 50 -13.831 -15.829 -15.829 384 2HB MET 50 1HB MET 50 -13.382 -15.146 -15.146 385 1HG MET 50 2HG MET 50 -14.482 -13.490 -13.490 386 2HG MET 50 1HG MET 50 -15.502 -14.273 -14.273 387 1HE MET 50 2HE MET 50 -15.582 -11.472 -11.472 388 2HE MET 50 1HE MET 50 -15.328 -10.359 -10.359 389 3HE MET 50 3HE MET 50 -14.029 -10.657 -10.657 390 H ARG 51 HN ARG 51 -10.443 -16.390 -16.390 391 HA ARG 51 HA ARG 51 -9.471 -16.882 -16.882 392 1HB ARG 51 2HB ARG 51 -8.319 -18.230 -18.230 393 2HB ARG 51 1HB ARG 51 -8.599 -18.872 -18.872 394 1HG ARG 51 2HG ARG 51 -11.060 -18.783 -18.783 395 2HG ARG 51 1HG ARG 51 -10.624 -18.408 -18.408 396 1HD ARG 51 2HD ARG 51 -9.811 -20.503 -20.503 397 2HD ARG 51 1HD ARG 51 -9.341 -20.763 -20.763 398 HE ARG 51 HE ARG 51 -12.091 -20.679 -20.679 399 1HH1 ARG 51 1HH2 ARG 51 -9.626 -22.603 -22.603 400 2HH1 ARG 51 2HH2 ARG 51 -10.604 -24.030 -24.030 401 1HH2 ARG 51 1HH1 ARG 51 -13.389 -22.554 -22.554 402 2HH2 ARG 51 2HH1 ARG 51 -12.743 -24.001 -24.001 403 H ARG 52 HN ARG 52 -8.269 -15.684 -15.684 404 HA ARG 52 HA ARG 52 -5.620 -15.206 -15.206 405 1HB ARG 52 2HB ARG 52 -6.875 -14.604 -14.604 406 2HB ARG 52 1HB ARG 52 -5.214 -14.198 -14.198 407 1HG ARG 52 2HG ARG 52 -4.756 -16.585 -16.585 408 2HG ARG 52 1HG ARG 52 -6.408 -16.961 -16.961 409 1HD ARG 52 2HD ARG 52 -5.893 -15.832 -15.832 410 2HD ARG 52 1HD ARG 52 -4.209 -15.756 -15.756 411 HE ARG 52 HE ARG 52 -5.279 -18.402 -18.402 412 1HH1 ARG 52 1HH2 ARG 52 -3.916 -16.034 -16.034 413 2HH1 ARG 52 2HH2 ARG 52 -3.324 -17.211 -17.211 414 1HH2 ARG 52 1HH1 ARG 52 -4.503 -19.960 -19.960 415 2HH2 ARG 52 2HH1 ARG 52 -3.657 -19.443 -19.443 416 H LEU 53 HN LEU 53 -8.117 -13.139 -13.139 417 HA LEU 53 HA LEU 53 -6.957 -10.815 -10.815 418 1HB LEU 53 2HB LEU 53 -9.325 -10.693 -10.693 419 2HB LEU 53 1HB LEU 53 -8.094 -9.480 -9.480 420 HG LEU 53 HG LEU 53 -7.775 -12.007 -12.007 421 1HD1 LEU 53 3HD1 LEU 53 -8.914 -9.702 -9.702 422 2HD1 LEU 53 2HD1 LEU 53 -7.221 -9.344 -9.344 423 3HD1 LEU 53 1HD1 LEU 53 -7.988 -10.753 -10.753 424 1HD2 LEU 53 1HD2 LEU 53 -5.755 -9.901 -9.901 425 2HD2 LEU 53 3HD2 LEU 53 -5.722 -11.612 -11.612 426 3HD2 LEU 53 2HD2 LEU 53 -5.512 -11.118 -11.118 427 H SER 54 HN SER 54 -7.910 -9.761 -9.761 428 HA SER 54 HA SER 54 -10.621 -10.602 -10.602 429 1HB SER 54 2HB SER 54 -8.396 -9.988 -9.988 430 2HB SER 54 1HB SER 54 -9.992 -10.643 -10.643 431 HG SER 54 HG SER 54 -7.764 -11.896 -11.896 432 H VAL 55 HN VAL 55 -11.884 -8.893 -8.893 433 HA VAL 55 HA VAL 55 -10.982 -6.211 -6.211 434 HB VAL 55 HB VAL 55 -13.424 -5.658 -5.658 435 1HG1 VAL 55 3HG1 VAL 55 -12.406 -7.715 -7.715 436 2HG1 VAL 55 2HG1 VAL 55 -13.810 -6.681 -6.681 437 3HG1 VAL 55 1HG1 VAL 55 -12.206 -5.966 -5.966 438 1HG2 VAL 55 1HG2 VAL 55 -13.952 -7.832 -7.832 439 2HG2 VAL 55 3HG2 VAL 55 -15.083 -7.261 -7.261 440 3HG2 VAL 55 2HG2 VAL 55 -13.972 -8.579 -8.579 441 H ASP 56 HN ASP 56 -11.671 -4.502 -4.502 442 HA ASP 56 HA ASP 56 -12.870 -5.016 -5.016 443 1HB ASP 56 2HB ASP 56 -10.540 -6.034 -6.034 444 2HB ASP 56 1HB ASP 56 -9.929 -4.384 -4.384 445 HA PRO 57 HA PRO 57 -14.176 -3.975 -3.975 446 1HB PRO 57 2HB PRO 57 -16.232 -2.081 -2.081 447 2HB PRO 57 1HB PRO 57 -15.732 -2.513 -2.513 448 1HG PRO 57 2HG PRO 57 -15.209 -0.093 -0.093 449 2HG PRO 57 1HG PRO 57 -14.114 -0.878 -0.878 450 1HD PRO 57 2HD PRO 57 -13.918 -0.718 -0.718 451 2HD PRO 57 1HD PRO 57 -12.645 -0.512 -0.512 452 HA PRO 58 HA PRO 58 -15.804 -6.128 -6.128 453 1HB PRO 58 2HB PRO 58 -17.558 -7.766 -7.766 454 2HB PRO 58 1HB PRO 58 -15.810 -7.970 -7.970 455 1HG PRO 58 2HG PRO 58 -17.747 -6.694 -6.694 456 2HG PRO 58 1HG PRO 58 -16.402 -7.795 -7.795 457 1HD PRO 58 2HD PRO 58 -16.245 -5.090 -5.090 458 2HD PRO 58 1HD PRO 58 -14.844 -6.111 -6.111 459 H CYS 59 HN CYS 59 -17.761 -4.165 -4.165 460 HA CYS 59 HA CYS 59 -19.439 -3.280 -3.280 461 1HB CYS 59 2HB CYS 59 -21.603 -4.291 -4.291 462 2HB CYS 59 1HB CYS 59 -20.569 -5.356 -5.356 463 HG CYS 59 HG CYS 59 -19.731 -6.178 -6.178 464 H GLY 60 HN GLY 60 -20.944 -1.671 -1.671 465 1HA GLY 60 2HA GLY 60 -21.346 -1.124 -1.124 466 2HA GLY 60 1HA GLY 60 -20.085 -0.096 -0.096 467 H VAL 61 HN VAL 61 -22.299 1.064 1.064 468 HA VAL 61 HA VAL 61 -24.055 1.719 1.719 469 HB VAL 61 HB VAL 61 -24.309 2.606 2.606 470 1HG1 VAL 61 2HG1 VAL 61 -25.508 3.673 3.673 471 2HG1 VAL 61 1HG1 VAL 61 -26.664 2.407 2.407 472 3HG1 VAL 61 3HG1 VAL 61 -26.232 3.634 3.634 473 1HG2 VAL 61 2HG2 VAL 61 -25.239 0.140 0.140 474 2HG2 VAL 61 1HG2 VAL 61 -24.579 0.330 0.330 475 3HG2 VAL 61 3HG2 VAL 61 -26.231 0.840 0.840 476 H LEU 62 HN LEU 62 -23.659 3.463 3.463 477 HA LEU 62 HA LEU 62 -21.856 5.517 5.517 478 1HB LEU 62 2HB LEU 62 -21.922 4.269 4.269 479 2HB LEU 62 1HB LEU 62 -22.834 5.724 5.724 480 HG LEU 62 HG LEU 62 -20.916 7.072 7.072 481 1HD1 LEU 62 2HD1 LEU 62 -19.984 5.217 5.217 482 2HD1 LEU 62 1HD1 LEU 62 -19.397 4.476 4.476 483 3HD1 LEU 62 3HD1 LEU 62 -18.800 6.061 6.061 484 1HD2 LEU 62 3HD2 LEU 62 -21.292 5.917 5.917 485 2HD2 LEU 62 2HD2 LEU 62 -20.134 7.194 7.194 486 3HD2 LEU 62 1HD2 LEU 62 -19.618 5.507 5.507 487 H ASP 63 HN ASP 63 -22.351 7.801 7.801 488 HA ASP 63 HA ASP 63 -25.241 8.321 8.321 489 1HB ASP 63 2HB ASP 63 -22.940 9.295 9.295 490 2HB ASP 63 1HB ASP 63 -23.958 10.601 10.601 491 HA PRO 64 HA PRO 64 -25.430 10.991 10.991 492 1HB PRO 64 2HB PRO 64 -25.933 13.365 13.365 493 2HB PRO 64 1HB PRO 64 -26.903 12.702 12.702 494 1HG PRO 64 2HG PRO 64 -27.662 12.399 12.399 495 2HG PRO 64 1HG PRO 64 -27.885 11.096 11.096 496 1HD PRO 64 2HD PRO 64 -25.822 11.378 11.378 497 2HD PRO 64 1HD PRO 64 -26.680 9.926 9.926 498 H LYS 65 HN LYS 65 -23.504 11.302 11.302 499 HA LYS 65 HA LYS 65 -21.550 12.289 12.289 500 1HB LYS 65 2HB LYS 65 -22.433 14.570 14.570 501 2HB LYS 65 1HB LYS 65 -21.220 14.643 14.643 502 1HG LYS 65 2HG LYS 65 -22.896 14.253 14.253 503 2HG LYS 65 1HG LYS 65 -24.133 14.028 14.028 504 1HD LYS 65 2HD LYS 65 -24.212 16.272 16.272 505 2HD LYS 65 1HD LYS 65 -23.887 16.330 16.330 506 1HE LYS 65 2HE LYS 65 -22.469 17.890 17.890 507 2HE LYS 65 1HE LYS 65 -21.524 16.660 16.660 508 1HZ LYS 65 3HZ LYS 65 -22.306 16.136 16.136 509 2HZ LYS 65 2HZ LYS 65 -21.078 17.267 17.267 510 3HZ LYS 65 1HZ LYS 65 -20.904 15.681 15.681 511 H GLU 66 HN GLU 66 -21.476 10.486 10.486 512 HA GLU 66 HA GLU 66 -19.461 11.661 11.661 513 1HB GLU 66 2HB GLU 66 -21.563 9.638 9.638 514 2HB GLU 66 1HB GLU 66 -20.012 9.190 9.190 515 1HG GLU 66 2HG GLU 66 -20.473 11.862 11.862 516 2HG GLU 66 1HG GLU 66 -21.986 10.997 10.997 517 H LYS 67 HN LYS 67 -17.551 10.455 10.455 518 HA LYS 67 HA LYS 67 -16.757 8.667 8.667 519 1HB LYS 67 2HB LYS 67 -14.479 9.425 9.425 520 2HB LYS 67 1HB LYS 67 -15.533 10.813 10.813 521 1HG LYS 67 2HG LYS 67 -15.577 10.663 10.663 522 2HG LYS 67 1HG LYS 67 -13.978 9.988 9.988 523 1HD LYS 67 2HD LYS 67 -13.166 12.025 12.025 524 2HD LYS 67 1HD LYS 67 -14.344 12.285 12.285 525 1HE LYS 67 2HE LYS 67 -15.817 13.377 13.377 526 2HE LYS 67 1HE LYS 67 -15.229 12.562 12.562 527 1HZ LYS 67 2HZ LYS 67 -13.070 13.952 13.952 528 2HZ LYS 67 1HZ LYS 67 -14.285 14.991 14.991 529 3HZ LYS 67 3HZ LYS 67 -14.242 14.531 14.531 530 H VAL 68 HN VAL 68 -15.596 6.802 6.802 531 HA VAL 68 HA VAL 68 -15.224 6.076 6.076 532 HB VAL 68 HB VAL 68 -17.391 5.131 5.131 533 1HG1 VAL 68 1HG1 VAL 68 -16.927 4.956 4.956 534 2HG1 VAL 68 3HG1 VAL 68 -15.833 3.611 3.611 535 3HG1 VAL 68 2HG1 VAL 68 -17.555 3.452 3.452 536 1HG2 VAL 68 3HG2 VAL 68 -15.293 3.816 3.816 537 2HG2 VAL 68 2HG2 VAL 68 -16.986 3.323 3.323 538 3HG2 VAL 68 1HG2 VAL 68 -15.886 2.644 2.644 539 H LEU 69 HN LEU 69 -13.522 4.695 4.695 540 HA LEU 69 HA LEU 69 -11.600 4.448 4.448 541 1HB LEU 69 2HB LEU 69 -11.539 4.410 4.410 542 2HB LEU 69 1HB LEU 69 -10.480 3.221 3.221 543 HG LEU 69 HG LEU 69 -10.429 6.170 6.170 544 1HD1 LEU 69 2HD1 LEU 69 -9.610 5.013 5.013 545 2HD1 LEU 69 1HD1 LEU 69 -8.135 5.012 5.012 546 3HD1 LEU 69 3HD1 LEU 69 -8.994 6.523 6.523 547 1HD2 LEU 69 2HD2 LEU 69 -9.436 3.989 3.989 548 2HD2 LEU 69 1HD2 LEU 69 -8.994 5.684 5.684 549 3HD2 LEU 69 3HD2 LEU 69 -8.042 4.648 4.648 550 H MET 70 HN MET 70 -10.595 2.497 2.497 551 HA MET 70 HA MET 70 -12.021 0.028 0.028 552 1HB MET 70 2HB MET 70 -12.366 1.301 1.301 553 2HB MET 70 1HB MET 70 -11.112 0.122 0.122 554 1HG MET 70 2HG MET 70 -12.908 -1.368 -1.368 555 2HG MET 70 1HG MET 70 -13.955 -0.256 -0.256 556 1HE MET 70 3HE MET 70 -13.058 0.410 0.410 557 2HE MET 70 2HE MET 70 -13.018 -0.888 -0.888 558 3HE MET 70 1HE MET 70 -14.474 -0.614 -0.614 559 H ALA 71 HN ALA 71 -10.806 -1.929 -1.929 560 HA ALA 71 HA ALA 71 -7.937 -1.579 -1.579 561 1HB ALA 71 3HB ALA 71 -8.682 -1.543 -1.543 562 2HB ALA 71 2HB ALA 71 -8.730 -3.292 -3.292 563 3HB ALA 71 1HB ALA 71 -7.232 -2.407 -2.407 564 H VAL 72 HN VAL 72 -7.355 -2.979 -2.979 565 HA VAL 72 HA VAL 72 -8.825 -5.519 -5.519 566 HB VAL 72 HB VAL 72 -7.080 -4.270 -4.270 567 1HG1 VAL 72 2HG1 VAL 72 -8.630 -6.724 -6.724 568 2HG1 VAL 72 1HG1 VAL 72 -9.020 -5.797 -5.797 569 3HG1 VAL 72 3HG1 VAL 72 -7.356 -6.296 -6.296 570 1HG2 VAL 72 1HG2 VAL 72 -9.667 -3.429 -3.429 571 2HG2 VAL 72 3HG2 VAL 72 -8.652 -2.743 -2.743 572 3HG2 VAL 72 2HG2 VAL 72 -9.779 -4.046 -4.046 573 H SER 73 HN SER 73 -7.594 -6.604 -6.604 574 HA SER 73 HA SER 73 -4.789 -6.731 -6.731 575 1HB SER 73 2HB SER 73 -7.005 -8.357 -8.357 576 2HB SER 73 1HB SER 73 -5.386 -9.055 -9.055 577 HG SER 73 HG SER 73 -6.413 -7.052 -7.052 578 H CYS 74 HN CYS 74 -3.327 -8.228 -8.228 579 HA CYS 74 HA CYS 74 -4.329 -10.181 -10.181 580 1HB CYS 74 2HB CYS 74 -3.623 -8.113 -8.113 581 2HB CYS 74 1HB CYS 74 -2.008 -8.317 -8.317 582 HG CYS 74 HG CYS 74 -3.078 -9.717 -9.717 583 H ASP 75 HN ASP 75 -3.779 -12.013 -12.013 584 HA ASP 75 HA ASP 75 -1.624 -12.402 -12.402 585 1HB ASP 75 2HB ASP 75 -1.992 -14.806 -14.806 586 2HB ASP 75 1HB ASP 75 -3.520 -13.950 -13.950 587 H THR 76 HN THR 76 0.395 -13.422 -13.422 588 HA THR 76 HA THR 76 1.828 -12.649 -12.649 589 HB THR 76 HB THR 76 3.726 -13.427 -13.427 590 HG1 THR 76 1HG THR 76 2.046 -15.309 -15.309 591 1HG2 THR 76 3HG2 THR 76 2.268 -11.839 -11.839 592 2HG2 THR 76 2HG2 THR 76 2.059 -13.262 -13.262 593 3HG2 THR 76 1HG2 THR 76 3.676 -12.629 -12.629 594 H PHE 77 HN PHE 77 1.646 -13.596 -13.596 595 HA PHE 77 HA PHE 77 1.492 -16.538 -16.538 596 1HB PHE 77 2HB PHE 77 0.068 -16.399 -16.399 597 2HB PHE 77 1HB PHE 77 -0.646 -15.429 -15.429 598 HD1 PHE 77 2HD PHE 77 -0.565 -12.973 -12.973 599 HD2 PHE 77 1HD PHE 77 0.826 -15.411 -15.411 600 HE1 PHE 77 2HE PHE 77 -0.645 -11.031 -11.031 601 HE2 PHE 77 1HE PHE 77 0.749 -13.473 -13.473 602 HZ PHE 77 HZ PHE 77 0.013 -11.280 -11.280 603 H ASN 78 HN ASN 78 2.019 -17.232 -17.232 604 HA ASN 78 HA ASN 78 4.488 -15.818 -15.818 605 1HB ASN 78 2HB ASN 78 4.456 -18.301 -18.301 606 2HB ASN 78 1HB ASN 78 4.220 -18.698 -18.698 607 1HD2 ASN 78 2HD2 ASN 78 7.819 -18.751 -18.751 608 2HD2 ASN 78 1HD2 ASN 78 6.425 -19.641 -19.641 609 H ALA 79 HN ALA 79 3.483 -14.579 -14.579 610 HA ALA 79 HA ALA 79 1.691 -15.449 -15.449 611 1HB ALA 79 3HB ALA 79 2.620 -13.068 -13.068 612 2HB ALA 79 2HB ALA 79 3.758 -13.427 -13.427 613 3HB ALA 79 1HB ALA 79 2.024 -13.432 -13.432 614 H ALA 80 HN ALA 80 5.114 -15.945 -15.945 615 HA ALA 80 HA ALA 80 5.876 -16.432 -16.432 616 1HB ALA 80 1HB ALA 80 6.976 -16.848 -16.848 617 2HB ALA 80 3HB ALA 80 7.003 -18.431 -18.431 618 3HB ALA 80 2HB ALA 80 7.779 -17.050 -17.050 619 H THR 81 HN THR 81 4.430 -18.740 -18.740 620 HA THR 81 HA THR 81 3.667 -20.402 -20.402 621 HB THR 81 HB THR 81 3.973 -22.392 -22.392 622 HG1 THR 81 1HG THR 81 4.094 -22.134 -22.134 623 1HG2 THR 81 1HG2 THR 81 5.890 -21.417 -21.417 624 2HG2 THR 81 3HG2 THR 81 6.495 -20.788 -20.788 625 3HG2 THR 81 2HG2 THR 81 6.308 -22.528 -22.528 626 H GLU 82 HN GLU 82 1.930 -18.517 -18.517 627 HA GLU 82 HA GLU 82 -0.184 -20.067 -20.067 628 1HB GLU 82 2HB GLU 82 0.773 -17.320 -17.320 629 2HB GLU 82 1HB GLU 82 -0.921 -17.734 -17.734 630 1HG GLU 82 2HG GLU 82 1.351 -19.317 -19.317 631 2HG GLU 82 1HG GLU 82 0.520 -18.013 -18.013 632 H ASP 83 HN ASP 83 -2.367 -19.207 -19.207 633 HA ASP 83 HA ASP 83 -2.591 -18.549 -18.549 634 1HB ASP 83 2HB ASP 83 -5.063 -18.694 -18.694 635 2HB ASP 83 1HB ASP 83 -4.150 -20.152 -20.152 636 H LEU 84 HN LEU 84 -2.976 -16.612 -16.612 637 HA LEU 84 HA LEU 84 -3.786 -14.412 -14.412 638 1HB LEU 84 2HB LEU 84 -1.962 -14.024 -14.024 639 2HB LEU 84 1HB LEU 84 -2.272 -12.925 -12.925 640 HG LEU 84 HG LEU 84 -0.844 -15.559 -15.559 641 1HD1 LEU 84 2HD1 LEU 84 0.422 -14.130 -14.130 642 2HD1 LEU 84 1HD1 LEU 84 0.331 -12.806 -12.806 643 3HD1 LEU 84 3HD1 LEU 84 1.227 -14.270 -14.270 644 1HD2 LEU 84 3HD2 LEU 84 -2.010 -14.298 -14.298 645 2HD2 LEU 84 2HD2 LEU 84 -0.358 -14.877 -14.877 646 3HD2 LEU 84 1HD2 LEU 84 -0.657 -13.176 -13.176 647 H ASN 85 HN ASN 85 -5.767 -15.679 -15.679 648 HA ASN 85 HA ASN 85 -6.399 -14.086 -14.086 649 1HB ASN 85 2HB ASN 85 -6.448 -16.827 -16.827 650 2HB ASN 85 1HB ASN 85 -8.135 -16.386 -16.386 651 1HD2 ASN 85 2HD2 ASN 85 -7.723 -16.968 -16.968 652 2HD2 ASN 85 1HD2 ASN 85 -7.631 -17.884 -17.884 653 H ASN 86 HN ASN 86 -7.329 -14.864 -14.864 654 HA ASN 86 HA ASN 86 -10.028 -14.042 -14.042 655 1HB ASN 86 2HB ASN 86 -8.044 -14.319 -14.319 656 2HB ASN 86 1HB ASN 86 -9.657 -13.676 -13.676 657 1HD2 ASN 86 2HD2 ASN 86 -11.184 -16.831 -16.831 658 2HD2 ASN 86 1HD2 ASN 86 -11.262 -15.167 -15.167 659 H ASP 87 HN ASP 87 -7.885 -12.240 -12.240 660 HA ASP 87 HA ASP 87 -7.873 -10.008 -10.008 661 1HB ASP 87 2HB ASP 87 -7.116 -8.658 -8.658 662 2HB ASP 87 1HB ASP 87 -6.102 -10.018 -10.018 663 H ARG 88 HN ARG 88 -10.091 -9.743 -9.743 664 HA ARG 88 HA ARG 88 -11.415 -7.763 -7.763 665 1HB ARG 88 2HB ARG 88 -12.286 -10.586 -10.586 666 2HB ARG 88 1HB ARG 88 -13.553 -9.381 -9.381 667 1HG ARG 88 2HG ARG 88 -11.905 -8.289 -8.289 668 2HG ARG 88 1HG ARG 88 -11.916 -10.012 -10.012 669 1HD ARG 88 2HD ARG 88 -14.437 -8.466 -8.466 670 2HD ARG 88 1HD ARG 88 -13.724 -8.576 -8.576 671 HE ARG 88 HE ARG 88 -15.233 -10.582 -10.582 672 1HH1 ARG 88 1HH2 ARG 88 -12.586 -10.099 -10.099 673 2HH1 ARG 88 2HH2 ARG 88 -12.784 -11.633 -11.633 674 1HH2 ARG 88 1HH1 ARG 88 -15.503 -12.608 -12.608 675 2HH2 ARG 88 2HH1 ARG 88 -14.442 -13.060 -13.060 676 H ILE 89 HN ILE 89 -12.711 -6.562 -6.562 677 HA ILE 89 HA ILE 89 -13.479 -7.580 -7.580 678 HB ILE 89 HB ILE 89 -12.834 -4.712 -4.712 679 1HG1 ILE 89 2HG1 ILE 89 -11.201 -6.786 -6.786 680 2HG1 ILE 89 1HG1 ILE 89 -10.800 -6.032 -6.032 681 1HG2 ILE 89 2HG2 ILE 89 -13.660 -6.076 -6.076 682 2HG2 ILE 89 1HG2 ILE 89 -12.761 -4.558 -4.558 683 3HG2 ILE 89 3HG2 ILE 89 -14.339 -4.636 -4.636 684 1HD1 ILE 89 3HD1 ILE 89 -11.154 -3.920 -3.920 685 2HD1 ILE 89 2HD1 ILE 89 -10.246 -5.146 -5.146 686 3HD1 ILE 89 1HD1 ILE 89 -9.635 -4.534 -4.534 687 H THR 90 HN THR 90 -15.447 -6.452 -6.452 688 HA THR 90 HA THR 90 -17.195 -5.280 -5.280 689 HB THR 90 HB THR 90 -18.041 -7.762 -7.762 690 HG1 THR 90 1HG THR 90 -17.977 -8.675 -8.675 691 1HG2 THR 90 3HG2 THR 90 -19.395 -6.000 -6.000 692 2HG2 THR 90 2HG2 THR 90 -19.793 -7.716 -7.716 693 3HG2 THR 90 1HG2 THR 90 -20.015 -6.683 -6.683 694 H ILE 91 HN ILE 91 -17.950 -3.524 -3.524 695 HA ILE 91 HA ILE 91 -18.565 -3.604 -3.604 696 HB ILE 91 HB ILE 91 -18.029 -1.175 -1.175 697 1HG1 ILE 91 2HG1 ILE 91 -15.963 -1.149 -1.149 698 2HG1 ILE 91 1HG1 ILE 91 -16.271 -2.881 -2.881 699 1HG2 ILE 91 1HG2 ILE 91 -18.781 -1.576 -1.576 700 2HG2 ILE 91 3HG2 ILE 91 -17.700 -0.245 -0.245 701 3HG2 ILE 91 2HG2 ILE 91 -19.303 -0.339 -0.339 702 1HD1 ILE 91 3HD1 ILE 91 -16.015 -1.508 -1.508 703 2HD1 ILE 91 2HD1 ILE 91 -14.584 -1.978 -1.978 704 3HD1 ILE 91 1HD1 ILE 91 -15.749 -3.202 -3.202 705 H GLU 92 HN GLU 92 -20.676 -4.227 -4.227 706 HA GLU 92 HA GLU 92 -22.593 -2.773 -2.773 707 1HB GLU 92 2HB GLU 92 -23.325 -5.127 -5.127 708 2HB GLU 92 1HB GLU 92 -24.057 -4.573 -4.573 709 1HG GLU 92 2HG GLU 92 -22.935 -6.240 -6.240 710 2HG GLU 92 1HG GLU 92 -21.524 -5.193 -5.193 711 H TRP 93 HN TRP 93 -24.182 -1.512 -1.512 712 HA TRP 93 HA TRP 93 -24.498 -1.454 -1.454 713 1HB TRP 93 2HB TRP 93 -24.324 0.958 0.958 714 2HB TRP 93 1HB TRP 93 -22.858 0.305 0.305 715 HD1 TRP 93 1HD TRP 93 -25.381 2.920 2.920 716 HE1 TRP 93 1HE TRP 93 -25.205 3.887 3.887 717 HE3 TRP 93 3HE TRP 93 -22.369 -0.637 -0.637 718 HZ2 TRP 93 2HZ TRP 93 -23.954 3.229 3.229 719 HZ3 TRP 93 3HZ TRP 93 -21.730 -0.394 -0.394 720 HH2 TRP 93 2HH TRP 93 -22.508 1.499 1.499 721 H THR 94 HN THR 94 -26.482 -0.639 -0.639 722 HA THR 94 HA THR 94 -28.500 0.100 0.100 723 HB THR 94 HB THR 94 -28.750 -2.291 -2.291 724 HG1 THR 94 1HG THR 94 -30.706 -1.125 -1.125 725 1HG2 THR 94 3HG2 THR 94 -28.775 -2.072 -2.072 726 2HG2 THR 94 2HG2 THR 94 -29.358 -3.485 -3.485 727 3HG2 THR 94 1HG2 THR 94 -27.668 -2.997 -2.997 728 H ASN 95 HN ASN 95 -29.874 1.584 1.584 729 HA ASN 95 HA ASN 95 -29.445 2.895 2.895 730 1HB ASN 95 2HB ASN 95 -32.012 2.751 2.751 731 2HB ASN 95 1HB ASN 95 -31.648 3.956 3.956 732 1HD2 ASN 95 2HD2 ASN 95 -30.812 5.818 5.818 733 2HD2 ASN 95 1HD2 ASN 95 -32.108 5.407 5.407 734 H THR 96 HN THR 96 -30.498 2.925 2.925 735 HA THR 96 HA THR 96 -31.730 0.371 0.371 736 HB THR 96 HB THR 96 -31.037 0.751 0.751 737 HG1 THR 96 1HG THR 96 -31.364 2.633 2.633 738 1HG2 THR 96 2HG2 THR 96 -28.976 2.196 2.196 739 2HG2 THR 96 1HG2 THR 96 -28.738 1.549 1.549 740 3HG2 THR 96 3HG2 THR 96 -29.058 0.457 0.457 741 HA PRO 97 HA PRO 97 -35.846 1.944 1.944 742 1HB PRO 97 2HB PRO 97 -35.966 0.455 0.455 743 2HB PRO 97 1HB PRO 97 -37.053 0.384 0.384 744 1HG PRO 97 2HG PRO 97 -35.309 -1.574 -1.574 745 2HG PRO 97 1HG PRO 97 -35.648 -1.025 -1.025 746 1HD PRO 97 2HD PRO 97 -33.276 -0.488 -0.488 747 2HD PRO 97 1HD PRO 97 -33.363 -0.729 -0.729 748 H ASP 98 HN ASP 98 -37.191 3.321 3.321 749 HA ASP 98 HA ASP 98 -35.968 5.476 5.476 750 1HB ASP 98 2HB ASP 98 -38.709 4.336 4.336 751 2HB ASP 98 1HB ASP 98 -38.177 5.905 5.905 752 H GLY 99 HN GLY 99 -34.686 5.638 5.638 753 1HA GLY 99 2HA GLY 99 -33.702 5.176 5.176 754 2HA GLY 99 1HA GLY 99 -35.359 5.102 5.102 755 H ALA 100 HN ALA 100 -33.437 2.992 2.992 756 HA ALA 100 HA ALA 100 -34.463 0.658 0.658 757 1HB ALA 100 3HB ALA 100 -34.031 0.994 0.994 758 2HB ALA 100 2HB ALA 100 -32.395 0.486 0.486 759 3HB ALA 100 1HB ALA 100 -33.762 -0.577 -0.577 760 H ALA 101 HN ALA 101 -33.227 1.649 1.649 761 HA ALA 101 HA ALA 101 -31.564 1.443 1.443 762 1HB ALA 101 3HB ALA 101 -32.120 -0.926 -0.926 763 2HB ALA 101 2HB ALA 101 -30.923 -1.054 -1.054 764 3HB ALA 101 1HB ALA 101 -30.409 -0.692 -0.692 765 H LYS 102 HN LYS 102 -29.219 1.353 1.353 766 HA LYS 102 HA LYS 102 -27.810 2.601 2.601 767 1HB LYS 102 2HB LYS 102 -27.085 2.697 2.697 768 2HB LYS 102 1HB LYS 102 -26.346 3.628 3.628 769 1HG LYS 102 2HG LYS 102 -28.073 5.102 5.102 770 2HG LYS 102 1HG LYS 102 -29.269 3.915 3.915 771 1HD LYS 102 2HD LYS 102 -29.142 5.288 5.288 772 2HD LYS 102 1HD LYS 102 -27.976 4.029 4.029 773 1HE LYS 102 2HE LYS 102 -26.572 5.734 5.734 774 2HE LYS 102 1HE LYS 102 -26.422 5.795 5.795 775 1HZ LYS 102 1HZ LYS 102 -28.530 7.311 7.311 776 2HZ LYS 102 3HZ LYS 102 -27.896 7.567 7.567 777 3HZ LYS 102 2HZ LYS 102 -26.972 7.944 7.944 778 H GLN 103 HN GLN 103 -27.523 0.403 0.403 779 HA GLN 103 HA GLN 103 -24.917 -0.512 -0.512 780 1HB GLN 103 2HB GLN 103 -26.503 -1.381 -1.381 781 2HB GLN 103 1HB GLN 103 -26.472 -2.758 -2.758 782 1HG GLN 103 2HG GLN 103 -23.847 -1.584 -1.584 783 2HG GLN 103 1HG GLN 103 -24.566 -2.109 -2.109 784 1HE2 GLN 103 2HE2 GLN 103 -22.708 -4.967 -4.967 785 2HE2 GLN 103 1HE2 GLN 103 -22.371 -3.382 -3.382 786 H PHE 104 HN PHE 104 -24.366 -2.122 -2.122 787 HA PHE 104 HA PHE 104 -26.041 -2.320 -2.320 788 1HB PHE 104 2HB PHE 104 -23.627 -2.420 -2.420 789 2HB PHE 104 1HB PHE 104 -23.565 -3.888 -3.888 790 HD1 PHE 104 1HD PHE 104 -25.086 -2.556 -2.556 791 HD2 PHE 104 2HD PHE 104 -23.526 -5.933 -5.933 792 HE1 PHE 104 1HE PHE 104 -25.315 -3.908 -3.908 793 HE2 PHE 104 2HE PHE 104 -23.751 -7.291 -7.291 794 HZ PHE 104 HZ PHE 104 -24.647 -6.278 -6.278 795 H ARG 105 HN ARG 105 -27.075 -4.127 -4.127 796 HA ARG 105 HA ARG 105 -27.500 -6.443 -6.443 797 1HB ARG 105 2HB ARG 105 -29.492 -4.402 -4.402 798 2HB ARG 105 1HB ARG 105 -30.017 -6.038 -6.038 799 1HG ARG 105 2HG ARG 105 -30.392 -6.489 -6.489 800 2HG ARG 105 1HG ARG 105 -28.788 -5.921 -5.921 801 1HD ARG 105 2HD ARG 105 -29.636 -4.043 -4.043 802 2HD ARG 105 1HD ARG 105 -30.459 -3.692 -3.692 803 HE ARG 105 HE ARG 105 -32.407 -4.417 -4.417 804 1HH1 ARG 105 1HH2 ARG 105 -29.735 -5.632 -5.632 805 2HH1 ARG 105 2HH2 ARG 105 -30.742 -6.294 -6.294 806 1HH2 ARG 105 1HH1 ARG 105 -33.741 -5.286 -5.286 807 2HH2 ARG 105 2HH1 ARG 105 -33.019 -6.096 -6.096 808 H ARG 106 HN ARG 106 -28.047 -8.343 -8.343 809 HA ARG 106 HA ARG 106 -27.260 -8.403 -8.403 810 1HB ARG 106 2HB ARG 106 -26.522 -10.133 -10.133 811 2HB ARG 106 1HB ARG 106 -28.191 -10.659 -10.659 812 1HG ARG 106 2HG ARG 106 -27.956 -12.001 -12.001 813 2HG ARG 106 1HG ARG 106 -27.541 -10.626 -10.626 814 1HD ARG 106 2HD ARG 106 -25.480 -11.820 -11.820 815 2HD ARG 106 1HD ARG 106 -25.865 -12.603 -12.603 816 HE ARG 106 HE ARG 106 -25.405 -9.907 -9.907 817 1HH1 ARG 106 1HH2 ARG 106 -23.649 -12.686 -12.686 818 2HH1 ARG 106 2HH2 ARG 106 -22.126 -12.143 -12.143 819 1HH2 ARG 106 1HH1 ARG 106 -23.404 -9.181 -9.181 820 2HH2 ARG 106 2HH1 ARG 106 -21.987 -10.149 -10.149 821 H GLU 107 HN GLU 107 -30.206 -8.402 -8.402 822 HA GLU 107 HA GLU 107 -31.876 -9.636 -9.636 823 1HB GLU 107 2HB GLU 107 -33.717 -8.426 -8.426 824 2HB GLU 107 1HB GLU 107 -32.717 -9.527 -9.527 825 1HG GLU 107 2HG GLU 107 -31.812 -7.875 -7.875 826 2HG GLU 107 1HG GLU 107 -31.846 -6.709 -6.709 827 H TRP 108 HN TRP 108 -30.490 -6.489 -6.489 828 HA TRP 108 HA TRP 108 -32.369 -5.005 -5.005 829 1HB TRP 108 2HB TRP 108 -29.396 -4.668 -4.668 830 2HB TRP 108 1HB TRP 108 -30.377 -3.509 -3.509 831 HD1 TRP 108 1HD TRP 108 -32.790 -4.215 -4.215 832 HE1 TRP 108 1HE TRP 108 -32.627 -2.776 -2.776 833 HE3 TRP 108 3HE TRP 108 -27.983 -2.551 -2.551 834 HZ2 TRP 108 2HZ TRP 108 -30.713 -1.148 -1.148 835 HZ3 TRP 108 3HZ TRP 108 -27.062 -1.056 -1.056 836 HH2 TRP 108 2HH TRP 108 -28.401 -0.370 -0.370 837 H PHE 109 HN PHE 109 -29.850 -7.212 -7.212 838 HA PHE 109 HA PHE 109 -30.008 -6.430 -6.430 839 1HB PHE 109 2HB PHE 109 -28.364 -8.345 -8.345 840 2HB PHE 109 1HB PHE 109 -28.540 -8.643 -8.643 841 HD1 PHE 109 1HD PHE 109 -27.787 -5.804 -5.804 842 HD2 PHE 109 2HD PHE 109 -26.950 -7.752 -7.752 843 HE1 PHE 109 1HE PHE 109 -26.008 -4.165 -4.165 844 HE2 PHE 109 2HE PHE 109 -25.170 -6.118 -6.118 845 HZ PHE 109 HZ PHE 109 -24.698 -4.321 -4.321 846 H GLN 110 HN GLN 110 -31.394 -8.796 -8.796 847 HA GLN 110 HA GLN 110 -32.619 -10.164 -10.164 848 1HB GLN 110 2HB GLN 110 -32.362 -11.151 -11.151 849 2HB GLN 110 1HB GLN 110 -33.007 -12.058 -12.058 850 1HG GLN 110 2HG GLN 110 -30.942 -12.420 -12.420 851 2HG GLN 110 1HG GLN 110 -30.238 -10.986 -10.986 852 1HE2 GLN 110 2HE2 GLN 110 -28.631 -13.458 -13.458 853 2HE2 GLN 110 1HE2 GLN 110 -28.502 -12.509 -12.509 854 H GLY 111 HN GLY 111 -33.860 -7.921 -7.921 855 1HA GLY 111 2HA GLY 111 -36.460 -8.660 -8.660 856 2HA GLY 111 1HA GLY 111 -35.700 -7.375 -7.375 857 H ASP 112 HN ASP 112 -36.914 -5.647 -5.647 858 HA ASP 112 HA ASP 112 -37.557 -5.142 -5.142 859 1HB ASP 112 2HB ASP 112 -38.513 -4.101 -4.101 860 2HB ASP 112 1HB ASP 112 -38.629 -3.027 -3.027 861 H GLY 113 HN GLY 113 -36.899 -3.318 -3.318 862 1HA GLY 113 2HA GLY 113 -35.781 -1.185 -1.185 863 2HA GLY 113 1HA GLY 113 -34.807 -1.672 -1.672 864 H MET 114 HN MET 114 -34.439 -0.922 -0.922 865 HA MET 114 HA MET 114 -33.107 -3.133 -3.133 866 1HB MET 114 2HB MET 114 -32.949 -0.173 -0.173 867 2HB MET 114 1HB MET 114 -32.151 -1.397 -1.397 868 1HG MET 114 2HG MET 114 -34.565 -2.416 -2.416 869 2HG MET 114 1HG MET 114 -35.043 -0.763 -0.763 870 1HE MET 114 3HE MET 114 -36.225 -0.124 -0.124 871 2HE MET 114 2HE MET 114 -35.459 0.881 0.881 872 3HE MET 114 1HE MET 114 -36.147 -0.681 -0.681 873 H VAL 115 HN VAL 115 -30.862 -3.449 -3.449 874 HA VAL 115 HA VAL 115 -29.108 -2.073 -2.073 875 HB VAL 115 HB VAL 115 -28.867 -5.001 -5.001 876 1HG1 VAL 115 3HG1 VAL 115 -27.237 -3.104 -3.104 877 2HG1 VAL 115 2HG1 VAL 115 -27.741 -4.410 -4.410 878 3HG1 VAL 115 1HG1 VAL 115 -26.892 -4.781 -4.781 879 1HG2 VAL 115 2HG2 VAL 115 -31.010 -4.470 -4.470 880 2HG2 VAL 115 1HG2 VAL 115 -29.931 -5.551 -5.551 881 3HG2 VAL 115 3HG2 VAL 115 -30.045 -3.852 -3.852 882 H ARG 116 HN ARG 116 -27.308 -1.249 -1.249 883 HA ARG 116 HA ARG 116 -26.675 -1.918 -1.918 884 1HB ARG 116 2HB ARG 116 -26.961 0.495 0.495 885 2HB ARG 116 1HB ARG 116 -25.317 0.260 0.260 886 1HG ARG 116 2HG ARG 116 -24.450 0.595 0.595 887 2HG ARG 116 1HG ARG 116 -25.631 -0.463 -0.463 888 1HD ARG 116 2HD ARG 116 -27.265 1.526 1.526 889 2HD ARG 116 1HD ARG 116 -25.781 2.469 2.469 890 HE ARG 116 HE ARG 116 -25.898 0.834 0.834 891 1HH1 ARG 116 1HH2 ARG 116 -26.823 3.884 3.884 892 2HH1 ARG 116 2HH2 ARG 116 -26.941 4.698 4.698 893 1HH2 ARG 116 1HH1 ARG 116 -26.052 1.894 1.894 894 2HH2 ARG 116 2HH1 ARG 116 -26.504 3.566 3.566 895 H ARG 117 HN ARG 117 -24.511 -2.381 -2.381 896 HA ARG 117 HA ARG 117 -22.619 -3.075 -3.075 897 1HB ARG 117 2HB ARG 117 -22.299 -5.327 -5.327 898 2HB ARG 117 1HB ARG 117 -24.016 -5.095 -5.095 899 1HG ARG 117 2HG ARG 117 -24.196 -4.609 -4.609 900 2HG ARG 117 1HG ARG 117 -22.588 -5.325 -5.325 901 1HD ARG 117 2HD ARG 117 -25.151 -6.607 -6.607 902 2HD ARG 117 1HD ARG 117 -24.091 -7.086 -7.086 903 HE ARG 117 HE ARG 117 -23.795 -7.741 -7.741 904 1HH1 ARG 117 1HH2 ARG 117 -22.197 -7.447 -7.447 905 2HH1 ARG 117 2HH2 ARG 117 -20.923 -8.545 -8.545 906 1HH2 ARG 117 1HH1 ARG 117 -22.121 -9.189 -9.189 907 2HH2 ARG 117 2HH1 ARG 117 -20.880 -9.537 -9.537 908 H LYS 118 HN LYS 118 -20.602 -2.587 -2.587 909 HA LYS 118 HA LYS 118 -19.954 -2.097 -2.097 910 1HB LYS 118 2HB LYS 118 -19.685 -0.408 -0.408 911 2HB LYS 118 1HB LYS 118 -18.084 -0.779 -0.779 912 1HG LYS 118 2HG LYS 118 -19.120 -0.138 -0.138 913 2HG LYS 118 1HG LYS 118 -20.336 0.676 0.676 914 1HD LYS 118 2HD LYS 118 -18.855 2.390 2.390 915 2HD LYS 118 1HD LYS 118 -18.149 1.596 1.596 916 1HE LYS 118 2HE LYS 118 -16.248 1.545 1.545 917 2HE LYS 118 1HE LYS 118 -17.000 0.258 0.258 918 1HZ LYS 118 3HZ LYS 118 -17.659 2.958 2.958 919 2HZ LYS 118 2HZ LYS 118 -16.046 2.509 2.509 920 3HZ LYS 118 1HZ LYS 118 -17.285 1.599 1.599 921 H ASN 119 HN ASN 119 -17.646 -2.418 -2.418 922 HA ASN 119 HA ASN 119 -16.389 -4.478 -4.478 923 1HB ASN 119 2HB ASN 119 -17.090 -4.621 -4.621 924 2HB ASN 119 1HB ASN 119 -15.636 -5.440 -5.440 925 1HD2 ASN 119 2HD2 ASN 119 -19.213 -7.103 -7.103 926 2HD2 ASN 119 1HD2 ASN 119 -18.915 -5.706 -5.706 927 H LEU 120 HN LEU 120 -14.136 -4.610 -4.610 928 HA LEU 120 HA LEU 120 -12.693 -2.612 -2.612 929 1HB LEU 120 2HB LEU 120 -12.655 -2.816 -2.816 930 2HB LEU 120 1HB LEU 120 -11.354 -2.060 -2.060 931 HG LEU 120 HG LEU 120 -14.012 -1.032 -1.032 932 1HD1 LEU 120 1HD1 LEU 120 -13.231 -1.286 -1.286 933 2HD1 LEU 120 3HD1 LEU 120 -13.553 0.378 0.378 934 3HD1 LEU 120 2HD1 LEU 120 -14.787 -0.862 -0.862 935 1HD2 LEU 120 3HD2 LEU 120 -11.261 -0.176 -0.176 936 2HD2 LEU 120 2HD2 LEU 120 -12.611 0.516 0.516 937 3HD2 LEU 120 1HD2 LEU 120 -12.329 0.993 0.993 938 HA PRO 121 HA PRO 121 -10.528 -6.623 -6.623 939 1HB PRO 121 2HB PRO 121 -9.066 -5.006 -5.006 940 2HB PRO 121 1HB PRO 121 -9.797 -6.607 -6.607 941 1HG PRO 121 2HG PRO 121 -10.945 -4.474 -4.474 942 2HG PRO 121 1HG PRO 121 -11.922 -5.748 -5.748 943 1HD PRO 121 2HD PRO 121 -11.192 -3.042 -3.042 944 2HD PRO 121 1HD PRO 121 -12.725 -3.930 -3.930 945 H ILE 122 HN ILE 122 -8.474 -7.319 -7.319 946 HA ILE 122 HA ILE 122 -6.829 -5.292 -5.292 947 HB ILE 122 HB ILE 122 -6.859 -8.299 -8.299 948 1HG1 ILE 122 2HG1 ILE 122 -8.847 -7.145 -7.145 949 2HG1 ILE 122 1HG1 ILE 122 -7.852 -7.850 -7.850 950 1HG2 ILE 122 1HG2 ILE 122 -5.248 -6.181 -6.181 951 2HG2 ILE 122 3HG2 ILE 122 -5.397 -7.852 -7.852 952 3HG2 ILE 122 2HG2 ILE 122 -4.635 -7.496 -7.496 953 1HD1 ILE 122 3HD1 ILE 122 -6.836 -5.336 -5.336 954 2HD1 ILE 122 2HD1 ILE 122 -8.537 -5.063 -5.063 955 3HD1 ILE 122 1HD1 ILE 122 -8.081 -5.860 -5.860 956 H GLU 123 HN GLU 123 -4.499 -5.477 -5.477 957 HA GLU 123 HA GLU 123 -3.475 -6.881 -6.881 958 1HB GLU 123 2HB GLU 123 -3.639 -3.958 -3.958 959 2HB GLU 123 1HB GLU 123 -2.079 -4.556 -4.556 960 1HG GLU 123 2HG GLU 123 -3.865 -5.899 -5.899 961 2HG GLU 123 1HG GLU 123 -4.589 -4.301 -4.301 962 H TYR 124 HN TYR 124 -1.193 -7.217 -7.217 963 HA TYR 124 HA TYR 124 0.020 -6.899 -6.899 964 1HB TYR 124 2HB TYR 124 0.504 -9.158 -9.158 965 2HB TYR 124 1HB TYR 124 1.184 -9.008 -9.008 966 HD1 TYR 124 2HD TYR 124 -0.883 -8.469 -8.469 967 HD2 TYR 124 1HD TYR 124 -1.103 -10.791 -10.791 968 HE1 TYR 124 2HE TYR 124 -2.805 -9.693 -9.693 969 HE2 TYR 124 1HE TYR 124 -3.026 -12.021 -12.021 970 HH TYR 124 HH TYR 124 -3.896 -11.928 -11.928 971 H ASN 125 HN ASN 125 1.592 -5.441 -5.441 972 HA ASN 125 HA ASN 125 3.160 -5.135 -5.135 973 1HB ASN 125 2HB ASN 125 2.073 -3.097 -3.097 974 2HB ASN 125 1HB ASN 125 2.912 -3.282 -3.282 975 1HD2 ASN 125 2HD2 ASN 125 5.279 -1.077 -1.077 976 2HD2 ASN 125 1HD2 ASN 125 4.024 -1.381 -1.381 977 H LEU 126 HN LEU 126 4.449 -7.007 -7.007 978 HA LEU 126 HA LEU 126 5.982 -7.332 -7.332 979 1HB LEU 126 2HB LEU 126 6.360 -8.432 -8.432 980 2HB LEU 126 1HB LEU 126 7.321 -8.921 -8.921 981 HG LEU 126 HG LEU 126 4.333 -9.174 -9.174 982 1HD1 LEU 126 2HD1 LEU 126 6.176 -10.639 -10.639 983 2HD1 LEU 126 1HD1 LEU 126 5.265 -11.687 -11.687 984 3HD1 LEU 126 3HD1 LEU 126 4.412 -10.598 -10.598 985 1HD2 LEU 126 1HD2 LEU 126 5.756 -9.432 -9.432 986 2HD2 LEU 126 3HD2 LEU 126 4.758 -10.829 -10.829 987 3HD2 LEU 126 2HD2 LEU 126 6.483 -10.843 -10.843 988 1H ALA 1 2HN ALA 1 41.937 0.156 0.156 989 2H ALA 1 1HN ALA 1 43.530 0.766 0.766 990 3H ALA 1 3HN ALA 1 42.916 0.438 0.438 991 HA ALA 1 HA ALA 1 43.114 -1.768 -1.768 992 1HB ALA 1 1HB ALA 1 45.312 -0.317 -0.317 993 2HB ALA 1 3HB ALA 1 45.283 -1.266 -1.266 994 3HB ALA 1 2HB ALA 1 45.323 -2.078 -2.078 995 H GLN 2 HN GLN 2 43.018 -0.268 -0.268 996 HA GLN 2 HA GLN 2 42.467 -2.831 -2.831 997 1HB GLN 2 2HB GLN 2 42.437 -1.464 -1.464 998 2HB GLN 2 1HB GLN 2 43.955 -1.402 -1.402 999 1HG GLN 2 2HG GLN 2 42.294 0.713 0.713 1000 2HG GLN 2 1HG GLN 2 42.316 0.737 0.737 1001 1HE2 GLN 2 2HE2 GLN 2 45.887 1.227 1.227 1002 2HE2 GLN 2 1HE2 GLN 2 44.655 0.247 0.247 1003 H SER 3 HN SER 3 40.652 -2.812 -2.812 1004 HA SER 3 HA SER 3 38.437 -2.693 -2.693 1005 1HB SER 3 2HB SER 3 37.845 -0.372 -0.372 1006 2HB SER 3 1HB SER 3 37.481 -0.632 -0.632 1007 HG SER 3 HG SER 3 39.615 -0.094 -0.094 1008 H VAL 4 HN VAL 4 36.464 -3.404 -3.404 1009 HA VAL 4 HA VAL 4 36.423 -3.925 -3.925 1010 HB VAL 4 HB VAL 4 35.282 -6.055 -6.055 1011 1HG1 VAL 4 2HG1 VAL 4 38.030 -5.474 -5.474 1012 2HG1 VAL 4 1HG1 VAL 4 37.372 -7.030 -7.030 1013 3HG1 VAL 4 3HG1 VAL 4 37.444 -6.616 -6.616 1014 1HG2 VAL 4 2HG2 VAL 4 35.838 -5.427 -5.427 1015 2HG2 VAL 4 1HG2 VAL 4 34.254 -5.530 -5.530 1016 3HG2 VAL 4 3HG2 VAL 4 35.254 -6.973 -6.973 1017 HA PRO 5 HA PRO 5 32.456 -1.997 -1.997 1018 1HB PRO 5 2HB PRO 5 31.255 -3.398 -3.398 1019 2HB PRO 5 1HB PRO 5 32.476 -2.149 -2.149 1020 1HG PRO 5 2HG PRO 5 32.789 -5.126 -5.126 1021 2HG PRO 5 1HG PRO 5 33.494 -3.948 -3.948 1022 1HD PRO 5 2HD PRO 5 34.908 -5.002 -5.002 1023 2HD PRO 5 1HD PRO 5 35.153 -3.331 -3.331 1024 HA PRO 6 HA PRO 6 29.827 -4.551 -4.551 1025 1HB PRO 6 2HB PRO 6 27.561 -3.076 -3.076 1026 2HB PRO 6 1HB PRO 6 28.982 -2.577 -2.577 1027 1HG PRO 6 2HG PRO 6 28.079 -1.685 -1.685 1028 2HG PRO 6 1HG PRO 6 28.701 -0.714 -0.714 1029 1HD PRO 6 2HD PRO 6 30.238 -1.446 -1.446 1030 2HD PRO 6 1HD PRO 6 30.895 -1.229 -1.229 1031 H GLY 7 HN GLY 7 28.204 -6.086 -6.086 1032 1HA GLY 7 2HA GLY 7 27.662 -7.064 -7.064 1033 2HA GLY 7 1HA GLY 7 26.922 -7.635 -7.635 1034 H ASP 8 HN ASP 8 25.041 -7.866 -7.866 1035 HA ASP 8 HA ASP 8 23.630 -5.309 -5.309 1036 1HB ASP 8 2HB ASP 8 22.862 -7.890 -7.890 1037 2HB ASP 8 1HB ASP 8 22.454 -6.243 -6.243 1038 H ILE 9 HN ILE 9 22.251 -4.925 -4.925 1039 HA ILE 9 HA ILE 9 21.144 -7.038 -7.038 1040 HB ILE 9 HB ILE 9 20.040 -5.278 -5.278 1041 1HG1 ILE 9 2HG1 ILE 9 21.197 -3.018 -3.018 1042 2HG1 ILE 9 1HG1 ILE 9 20.017 -3.902 -3.902 1043 1HG2 ILE 9 1HG2 ILE 9 22.923 -4.966 -4.966 1044 2HG2 ILE 9 3HG2 ILE 9 22.167 -3.814 -3.814 1045 3HG2 ILE 9 2HG2 ILE 9 22.184 -5.532 -5.532 1046 1HD1 ILE 9 1HD1 ILE 9 18.940 -3.555 -3.555 1047 2HD1 ILE 9 3HD1 ILE 9 19.570 -2.002 -2.002 1048 3HD1 ILE 9 2HD1 ILE 9 18.386 -2.870 -2.870 1049 H ASN 10 HN ASN 10 18.973 -7.619 -7.619 1050 HA ASN 10 HA ASN 10 17.414 -7.227 -7.227 1051 1HB ASN 10 2HB ASN 10 17.651 -9.305 -9.305 1052 2HB ASN 10 1HB ASN 10 15.967 -8.885 -8.885 1053 1HD2 ASN 10 2HD2 ASN 10 17.674 -11.387 -11.387 1054 2HD2 ASN 10 1HD2 ASN 10 18.084 -11.080 -11.080 1055 H THR 11 HN THR 11 15.259 -6.498 -6.498 1056 HA THR 11 HA THR 11 14.270 -5.253 -5.253 1057 HB THR 11 HB THR 11 13.565 -3.302 -3.302 1058 HG1 THR 11 1HG THR 11 14.903 -3.025 -3.025 1059 1HG2 THR 11 1HG2 THR 11 15.435 -3.506 -3.506 1060 2HG2 THR 11 3HG2 THR 11 16.384 -2.940 -2.940 1061 3HG2 THR 11 2HG2 THR 11 14.974 -2.025 -2.025 1062 H GLN 12 HN GLN 12 12.013 -4.891 -4.891 1063 HA GLN 12 HA GLN 12 10.424 -5.876 -5.876 1064 1HB GLN 12 2HB GLN 12 10.888 -7.367 -7.367 1065 2HB GLN 12 1HB GLN 12 9.179 -7.098 -7.098 1066 1HG GLN 12 2HG GLN 12 9.158 -8.438 -8.438 1067 2HG GLN 12 1HG GLN 12 10.814 -8.038 -8.038 1068 1HE2 GLN 12 2HE2 GLN 12 10.276 -11.553 -11.553 1069 2HE2 GLN 12 1HE2 GLN 12 9.242 -10.607 -10.607 1070 HA PRO 13 HA PRO 13 8.868 -5.010 -5.010 1071 1HB PRO 13 2HB PRO 13 8.695 -2.466 -2.466 1072 2HB PRO 13 1HB PRO 13 7.298 -3.455 -3.455 1073 1HG PRO 13 2HG PRO 13 8.650 -1.287 -1.287 1074 2HG PRO 13 1HG PRO 13 6.917 -1.609 -1.609 1075 1HD PRO 13 2HD PRO 13 8.225 -2.320 -2.320 1076 2HD PRO 13 1HD PRO 13 6.928 -3.326 -3.326 1077 H SER 14 HN SER 14 10.395 -4.731 -4.731 1078 HA SER 14 HA SER 14 12.919 -3.507 -3.507 1079 1HB SER 14 2HB SER 14 13.365 -5.325 -5.325 1080 2HB SER 14 1HB SER 14 13.908 -5.456 -5.456 1081 HG SER 14 HG SER 14 12.639 -7.236 -7.236 1082 H GLN 15 HN GLN 15 10.480 -3.488 -3.488 1083 HA GLN 15 HA GLN 15 12.163 -2.046 -2.046 1084 1HB GLN 15 2HB GLN 15 9.311 -3.023 -3.023 1085 2HB GLN 15 1HB GLN 15 10.148 -2.155 -2.155 1086 1HG GLN 15 2HG GLN 15 11.750 -3.936 -3.936 1087 2HG GLN 15 1HG GLN 15 11.047 -4.786 -4.786 1088 1HE2 GLN 15 2HE2 GLN 15 8.969 -4.669 -4.669 1089 2HE2 GLN 15 1HE2 GLN 15 10.003 -3.360 -3.360 1090 H LYS 16 HN LYS 16 9.187 -1.580 -1.580 1091 HA LYS 16 HA LYS 16 9.683 1.087 1.087 1092 1HB LYS 16 2HB LYS 16 7.878 2.124 2.124 1093 2HB LYS 16 1HB LYS 16 9.427 1.760 1.760 1094 1HG LYS 16 2HG LYS 16 8.530 -0.223 -0.223 1095 2HG LYS 16 1HG LYS 16 7.003 -0.019 -0.019 1096 1HD LYS 16 2HD LYS 16 7.794 2.332 2.332 1097 2HD LYS 16 1HD LYS 16 7.547 0.893 0.893 1098 1HE LYS 16 2HE LYS 16 5.514 1.491 1.491 1099 2HE LYS 16 1HE LYS 16 5.561 2.543 2.543 1100 1HZ LYS 16 3HZ LYS 16 5.567 -0.372 -0.372 1101 2HZ LYS 16 2HZ LYS 16 4.112 0.408 0.408 1102 3HZ LYS 16 1HZ LYS 16 4.979 0.841 0.841 1103 H ILE 17 HN ILE 17 7.350 2.246 2.246 1104 HA ILE 17 HA ILE 17 5.441 0.289 0.289 1105 HB ILE 17 HB ILE 17 6.930 0.681 0.681 1106 1HG1 ILE 17 2HG1 ILE 17 4.341 2.179 2.179 1107 2HG1 ILE 17 1HG1 ILE 17 4.438 0.426 0.426 1108 1HG2 ILE 17 2HG2 ILE 17 6.916 3.350 3.350 1109 2HG2 ILE 17 1HG2 ILE 17 6.332 3.361 3.361 1110 3HG2 ILE 17 3HG2 ILE 17 7.900 2.651 2.651 1111 1HD1 ILE 17 1HD1 ILE 17 6.269 1.599 1.599 1112 2HD1 ILE 17 3HD1 ILE 17 4.556 1.823 1.823 1113 3HD1 ILE 17 2HD1 ILE 17 5.204 0.198 0.198 1114 H VAL 18 HN VAL 18 3.378 1.198 1.198 1115 HA VAL 18 HA VAL 18 2.902 3.898 3.898 1116 HB VAL 18 HB VAL 18 2.259 2.442 2.442 1117 1HG1 VAL 18 3HG1 VAL 18 2.043 0.407 0.407 1118 2HG1 VAL 18 2HG1 VAL 18 0.418 0.964 0.964 1119 3HG1 VAL 18 1HG1 VAL 18 0.829 0.567 0.567 1120 1HG2 VAL 18 2HG2 VAL 18 0.702 4.350 4.350 1121 2HG2 VAL 18 1HG2 VAL 18 0.102 3.200 3.200 1122 3HG2 VAL 18 3HG2 VAL 18 -0.371 3.042 3.042 1123 H PHE 19 HN PHE 19 2.620 4.754 4.754 1124 HA PHE 19 HA PHE 19 1.236 3.696 3.696 1125 1HB PHE 19 2HB PHE 19 1.351 6.604 6.604 1126 2HB PHE 19 1HB PHE 19 0.916 6.016 6.016 1127 HD1 PHE 19 2HD PHE 19 3.147 3.737 3.737 1128 HD2 PHE 19 1HD PHE 19 3.103 7.983 7.983 1129 HE1 PHE 19 2HE PHE 19 5.514 3.806 3.806 1130 HE2 PHE 19 1HE PHE 19 5.471 8.058 8.058 1131 HZ PHE 19 HZ PHE 19 6.679 5.969 5.969 1132 H ASN 20 HN ASN 20 -0.750 2.893 2.893 1133 HA ASN 20 HA ASN 20 -2.773 3.740 3.740 1134 1HB ASN 20 2HB ASN 20 -3.002 1.859 1.859 1135 2HB ASN 20 1HB ASN 20 -4.165 2.030 2.030 1136 1HD2 ASN 20 2HD2 ASN 20 -0.961 -0.360 -0.360 1137 2HD2 ASN 20 1HD2 ASN 20 -1.323 0.518 0.518 1138 H ALA 21 HN ALA 21 -4.501 5.022 5.022 1139 HA ALA 21 HA ALA 21 -4.516 7.002 7.002 1140 1HB ALA 21 3HB ALA 21 -6.149 6.226 6.226 1141 2HB ALA 21 2HB ALA 21 -7.217 6.376 6.376 1142 3HB ALA 21 1HB ALA 21 -6.209 7.738 7.738 1143 HA PRO 22 HA PRO 22 -6.678 8.100 8.100 1144 1HB PRO 22 2HB PRO 22 -7.237 8.956 8.956 1145 2HB PRO 22 1HB PRO 22 -8.387 8.651 8.651 1146 1HG PRO 22 2HG PRO 22 -8.186 7.154 7.154 1147 2HG PRO 22 1HG PRO 22 -8.924 6.594 6.594 1148 1HD PRO 22 2HD PRO 22 -6.197 6.049 6.049 1149 2HD PRO 22 1HD PRO 22 -7.298 4.967 4.967 1150 H TYR 23 HN TYR 23 -5.771 10.206 10.206 1151 HA TYR 23 HA TYR 23 -3.131 10.005 10.005 1152 1HB TYR 23 2HB TYR 23 -4.098 11.977 11.977 1153 2HB TYR 23 1HB TYR 23 -2.463 11.882 11.882 1154 HD1 TYR 23 2HD TYR 23 -2.362 8.815 8.815 1155 HD2 TYR 23 1HD TYR 23 -3.514 11.586 11.586 1156 HE1 TYR 23 2HE TYR 23 -1.767 7.174 7.174 1157 HE2 TYR 23 1HE TYR 23 -2.923 9.948 9.948 1158 HH TYR 23 HH TYR 23 -2.773 7.286 7.286 1159 H ASP 24 HN ASP 24 -5.707 10.541 10.541 1160 HA ASP 24 HA ASP 24 -5.180 13.251 13.251 1161 1HB ASP 24 2HB ASP 24 -7.685 11.618 11.618 1162 2HB ASP 24 1HB ASP 24 -7.572 12.887 12.887 1163 H ASP 25 HN ASP 25 -4.304 10.240 10.240 1164 HA ASP 25 HA ASP 25 -4.286 10.805 10.805 1165 1HB ASP 25 2HB ASP 25 -5.313 8.275 8.275 1166 2HB ASP 25 1HB ASP 25 -4.761 8.325 8.325 1167 H LYS 26 HN LYS 26 -2.393 10.336 10.336 1168 HA LYS 26 HA LYS 26 -0.094 9.837 9.837 1169 1HB LYS 26 2HB LYS 26 0.902 9.221 9.221 1170 2HB LYS 26 1HB LYS 26 0.238 10.838 10.838 1171 1HG LYS 26 2HG LYS 26 -1.394 10.491 10.491 1172 2HG LYS 26 1HG LYS 26 -1.659 8.824 8.824 1173 1HD LYS 26 2HD LYS 26 0.485 8.227 8.227 1174 2HD LYS 26 1HD LYS 26 0.501 9.863 9.863 1175 1HE LYS 26 2HE LYS 26 -1.299 9.475 9.475 1176 2HE LYS 26 1HE LYS 26 -1.959 8.218 8.218 1177 1HZ LYS 26 3HZ LYS 26 0.576 7.797 7.797 1178 2HZ LYS 26 2HZ LYS 26 -0.910 7.533 7.533 1179 3HZ LYS 26 1HZ LYS 26 -0.499 6.645 6.645 1180 H HIS 27 HN HIS 27 0.207 8.071 8.071 1181 HA HIS 27 HA HIS 27 -0.299 5.449 5.449 1182 1HB HIS 27 2HB HIS 27 -0.419 6.237 6.237 1183 2HB HIS 27 1HB HIS 27 -0.538 4.581 4.581 1184 HD1 HIS 27 1HD HIS 27 -2.472 5.197 5.197 1185 HD2 HIS 27 2HD HIS 27 -2.973 6.502 6.502 1186 HE1 HIS 27 1HE HIS 27 -4.941 5.665 5.665 1187 H THR 28 HN THR 28 1.434 4.246 4.246 1188 HA THR 28 HA THR 28 3.974 5.005 5.005 1189 HB THR 28 HB THR 28 3.878 2.973 2.973 1190 HG1 THR 28 1HG THR 28 2.486 4.379 4.379 1191 1HG2 THR 28 2HG2 THR 28 6.002 3.856 3.856 1192 2HG2 THR 28 1HG2 THR 28 5.599 5.419 5.419 1193 3HG2 THR 28 3HG2 THR 28 5.856 4.019 4.019 1194 H TYR 29 HN TYR 29 4.522 3.907 3.907 1195 HA TYR 29 HA TYR 29 3.517 1.208 1.208 1196 1HB TYR 29 2HB TYR 29 5.165 2.997 2.997 1197 2HB TYR 29 1HB TYR 29 4.473 1.444 1.444 1198 HD1 TYR 29 1HD TYR 29 3.753 4.963 4.963 1199 HD2 TYR 29 2HD TYR 29 2.095 1.218 1.218 1200 HE1 TYR 29 1HE TYR 29 1.682 6.097 6.097 1201 HE2 TYR 29 2HE TYR 29 0.020 2.341 2.341 1202 HH TYR 29 HH TYR 29 -0.526 5.744 5.744 1203 H HIS 30 HN HIS 30 4.644 -0.195 -0.195 1204 HA HIS 30 HA HIS 30 7.406 -0.006 -0.006 1205 1HB HIS 30 2HB HIS 30 5.382 -2.208 -2.208 1206 2HB HIS 30 1HB HIS 30 7.082 -2.477 -2.477 1207 HD1 HIS 30 1HD HIS 30 4.321 -0.047 -0.047 1208 HD2 HIS 30 2HD HIS 30 7.735 -1.877 -1.877 1209 HE1 HIS 30 1HE HIS 30 4.473 0.620 0.620 1210 H ILE 31 HN ILE 31 9.114 -1.367 -1.367 1211 HA ILE 31 HA ILE 31 8.736 -2.811 -2.811 1212 HB ILE 31 HB ILE 31 10.915 -0.762 -0.762 1213 1HG1 ILE 31 2HG1 ILE 31 8.757 -0.672 -0.672 1214 2HG1 ILE 31 1HG1 ILE 31 8.518 0.041 0.041 1215 1HG2 ILE 31 2HG2 ILE 31 10.467 -2.877 -2.877 1216 2HG2 ILE 31 1HG2 ILE 31 11.090 -1.326 -1.326 1217 3HG2 ILE 31 3HG2 ILE 31 11.972 -2.239 -2.239 1218 1HD1 ILE 31 1HD1 ILE 31 10.461 1.482 1.482 1219 2HD1 ILE 31 3HD1 ILE 31 10.660 0.785 0.785 1220 3HD1 ILE 31 2HD1 ILE 31 9.213 1.719 1.719 1221 H LYS 32 HN LYS 32 10.264 -4.464 -4.464 1222 HA LYS 32 HA LYS 32 11.750 -5.236 -5.236 1223 1HB LYS 32 2HB LYS 32 10.066 -6.842 -6.842 1224 2HB LYS 32 1HB LYS 32 10.785 -6.915 -6.915 1225 1HG LYS 32 2HG LYS 32 12.786 -7.920 -7.920 1226 2HG LYS 32 1HG LYS 32 12.162 -7.755 -7.755 1227 1HD LYS 32 2HD LYS 32 10.458 -9.201 -9.201 1228 2HD LYS 32 1HD LYS 32 11.937 -10.011 -10.011 1229 1HE LYS 32 2HE LYS 32 11.229 -9.559 -9.559 1230 2HE LYS 32 1HE LYS 32 9.680 -9.013 -9.013 1231 1HZ LYS 32 1HZ LYS 32 9.895 -11.375 -11.375 1232 2HZ LYS 32 3HZ LYS 32 10.743 -11.705 -11.705 1233 3HZ LYS 32 2HZ LYS 32 9.144 -11.162 -11.162 1234 H ILE 33 HN ILE 33 13.892 -5.723 -5.723 1235 HA ILE 33 HA ILE 33 15.301 -5.476 -5.476 1236 HB ILE 33 HB ILE 33 16.242 -4.252 -4.252 1237 1HG1 ILE 33 2HG1 ILE 33 15.423 -2.779 -2.779 1238 2HG1 ILE 33 1HG1 ILE 33 14.278 -3.132 -3.132 1239 1HG2 ILE 33 1HG2 ILE 33 17.429 -4.396 -4.396 1240 2HG2 ILE 33 3HG2 ILE 33 17.925 -3.180 -3.180 1241 3HG2 ILE 33 2HG2 ILE 33 18.145 -4.893 -4.893 1242 1HD1 ILE 33 2HD1 ILE 33 16.724 -1.905 -1.905 1243 2HD1 ILE 33 1HD1 ILE 33 15.862 -0.903 -0.903 1244 3HD1 ILE 33 3HD1 ILE 33 15.040 -1.467 -1.467 1245 H THR 34 HN THR 34 17.343 -6.562 -6.562 1246 HA THR 34 HA THR 34 17.980 -8.379 -8.379 1247 HB THR 34 HB THR 34 17.308 -9.294 -9.294 1248 HG1 THR 34 1HG THR 34 15.579 -9.060 -9.060 1249 1HG2 THR 34 1HG2 THR 34 19.290 -10.497 -10.497 1250 2HG2 THR 34 3HG2 THR 34 18.438 -10.943 -10.943 1251 3HG2 THR 34 2HG2 THR 34 17.873 -11.545 -11.545 1252 H ASN 35 HN ASN 35 20.074 -9.344 -9.344 1253 HA ASN 35 HA ASN 35 21.907 -7.737 -7.737 1254 1HB ASN 35 2HB ASN 35 22.113 -7.810 -7.810 1255 2HB ASN 35 1HB ASN 35 22.692 -9.461 -9.461 1256 1HD2 ASN 35 2HD2 ASN 35 25.643 -7.313 -7.313 1257 2HD2 ASN 35 1HD2 ASN 35 24.344 -7.782 -7.782 1258 H ALA 36 HN ALA 36 22.181 -8.774 -8.774 1259 HA ALA 36 HA ALA 36 22.516 -11.672 -11.672 1260 1HB ALA 36 2HB ALA 36 21.115 -10.181 -10.181 1261 2HB ALA 36 1HB ALA 36 22.670 -10.020 -10.020 1262 3HB ALA 36 3HB ALA 36 21.967 -11.618 -11.618 1263 H GLY 37 HN GLY 37 24.559 -9.662 -9.662 1264 1HA GLY 37 2HA GLY 37 26.749 -10.108 -10.108 1265 2HA GLY 37 1HA GLY 37 26.788 -9.038 -9.038 1266 H GLY 38 HN GLY 38 28.176 -9.704 -9.704 1267 1HA GLY 38 2HA GLY 38 28.150 -12.513 -12.513 1268 2HA GLY 38 1HA GLY 38 29.676 -11.865 -11.865 1269 H ARG 39 HN ARG 39 29.539 -9.293 -9.293 1270 HA ARG 39 HA ARG 39 29.711 -9.923 -9.923 1271 1HB ARG 39 2HB ARG 39 31.212 -7.760 -7.760 1272 2HB ARG 39 1HB ARG 39 31.454 -8.264 -8.264 1273 1HG ARG 39 2HG ARG 39 32.759 -9.984 -9.984 1274 2HG ARG 39 1HG ARG 39 31.741 -10.421 -10.421 1275 1HD ARG 39 2HD ARG 39 33.354 -7.930 -7.930 1276 2HD ARG 39 1HD ARG 39 34.192 -9.475 -9.475 1277 HE ARG 39 HE ARG 39 32.402 -8.286 -8.286 1278 1HH1 ARG 39 1HH2 ARG 39 33.853 -11.241 -11.241 1279 2HH1 ARG 39 2HH2 ARG 39 33.659 -12.068 -12.068 1280 1HH2 ARG 39 1HH1 ARG 39 32.141 -9.366 -9.366 1281 2HH2 ARG 39 2HH1 ARG 39 32.687 -11.002 -11.002 1282 H ARG 40 HN ARG 40 29.424 -7.973 -7.973 1283 HA ARG 40 HA ARG 40 26.880 -6.937 -6.937 1284 1HB ARG 40 2HB ARG 40 27.689 -5.184 -5.184 1285 2HB ARG 40 1HB ARG 40 27.913 -6.865 -6.865 1286 1HG ARG 40 2HG ARG 40 30.253 -6.755 -6.755 1287 2HG ARG 40 1HG ARG 40 30.041 -5.087 -5.087 1288 1HD ARG 40 2HD ARG 40 31.028 -5.531 -5.531 1289 2HD ARG 40 1HD ARG 40 29.795 -4.287 -4.287 1290 HE ARG 40 HE ARG 40 28.421 -5.518 -5.518 1291 1HH1 ARG 40 1HH2 ARG 40 30.941 -7.589 -7.589 1292 2HH1 ARG 40 2HH2 ARG 40 30.478 -8.944 -8.944 1293 1HH2 ARG 40 1HH1 ARG 40 27.802 -7.295 -7.295 1294 2HH2 ARG 40 2HH1 ARG 40 28.693 -8.777 -8.777 1295 H ILE 41 HN ILE 41 26.111 -4.768 -4.768 1296 HA ILE 41 HA ILE 41 27.806 -3.057 -3.057 1297 HB ILE 41 HB ILE 41 25.909 -2.760 -2.760 1298 1HG1 ILE 41 2HG1 ILE 41 24.934 -5.393 -5.393 1299 2HG1 ILE 41 1HG1 ILE 41 24.218 -3.843 -3.843 1300 1HG2 ILE 41 2HG2 ILE 41 28.014 -4.350 -4.350 1301 2HG2 ILE 41 1HG2 ILE 41 26.767 -5.597 -5.597 1302 3HG2 ILE 41 3HG2 ILE 41 26.776 -4.328 -4.328 1303 1HD1 ILE 41 2HD1 ILE 41 24.417 -4.868 -4.868 1304 2HD1 ILE 41 1HD1 ILE 41 23.011 -5.091 -5.091 1305 3HD1 ILE 41 3HD1 ILE 41 23.513 -3.467 -3.467 1306 H GLY 42 HN GLY 42 26.491 -1.006 -1.006 1307 1HA GLY 42 2HA GLY 42 24.770 -0.230 -0.230 1308 2HA GLY 42 1HA GLY 42 26.086 0.805 0.805 1309 H TRP 43 HN TRP 43 22.842 -0.175 -0.175 1310 HA TRP 43 HA TRP 43 22.661 1.184 1.184 1311 1HB TRP 43 2HB TRP 43 20.283 0.412 0.412 1312 2HB TRP 43 1HB TRP 43 21.463 -0.891 -0.891 1313 HD1 TRP 43 1HD TRP 43 21.586 -2.284 -2.284 1314 HE1 TRP 43 1HE TRP 43 19.988 -2.478 -2.478 1315 HE3 TRP 43 3HE TRP 43 18.629 1.783 1.783 1316 HZ2 TRP 43 2HZ TRP 43 17.766 -1.092 -1.092 1317 HZ3 TRP 43 3HZ TRP 43 16.789 2.280 2.280 1318 HH2 TRP 43 2HH TRP 43 16.367 0.870 0.870 1319 H ALA 44 HN ALA 44 20.999 2.763 2.763 1320 HA ALA 44 HA ALA 44 19.919 4.232 4.232 1321 1HB ALA 44 1HB ALA 44 22.302 5.066 5.066 1322 2HB ALA 44 3HB ALA 44 21.641 5.758 5.758 1323 3HB ALA 44 2HB ALA 44 21.015 6.270 6.270 1324 H ILE 45 HN ILE 45 17.978 5.057 5.057 1325 HA ILE 45 HA ILE 45 17.166 4.943 4.943 1326 HB ILE 45 HB ILE 45 15.261 5.411 5.411 1327 1HG1 ILE 45 2HG1 ILE 45 16.618 3.460 3.460 1328 2HG1 ILE 45 1HG1 ILE 45 14.972 2.988 2.988 1329 1HG2 ILE 45 1HG2 ILE 45 14.769 5.492 5.492 1330 2HG2 ILE 45 3HG2 ILE 45 14.748 3.736 3.736 1331 3HG2 ILE 45 2HG2 ILE 45 13.632 4.717 4.717 1332 1HD1 ILE 45 2HD1 ILE 45 15.977 2.527 2.527 1333 2HD1 ILE 45 1HD1 ILE 45 17.507 2.478 2.478 1334 3HD1 ILE 45 3HD1 ILE 45 16.208 1.365 1.365 1335 H LYS 46 HN LYS 46 16.335 6.663 6.663 1336 HA LYS 46 HA LYS 46 15.999 9.214 9.214 1337 1HB LYS 46 2HB LYS 46 17.908 8.706 8.706 1338 2HB LYS 46 1HB LYS 46 17.248 10.306 10.306 1339 1HG LYS 46 2HG LYS 46 18.363 9.040 9.040 1340 2HG LYS 46 1HG LYS 46 19.540 9.287 9.287 1341 1HD LYS 46 2HD LYS 46 19.348 11.574 11.574 1342 2HD LYS 46 1HD LYS 46 17.699 11.521 11.521 1343 1HE LYS 46 2HE LYS 46 18.472 10.929 10.929 1344 2HE LYS 46 1HE LYS 46 20.115 10.681 10.681 1345 1HZ LYS 46 3HZ LYS 46 19.100 13.310 13.310 1346 2HZ LYS 46 2HZ LYS 46 19.169 12.964 12.964 1347 3HZ LYS 46 1HZ LYS 46 20.565 12.843 12.843 1348 H THR 47 HN THR 47 14.279 10.324 10.324 1349 HA THR 47 HA THR 47 12.951 9.315 9.315 1350 HB THR 47 HB THR 47 10.877 9.984 9.984 1351 HG1 THR 47 1HG THR 47 12.216 11.253 11.253 1352 1HG2 THR 47 1HG2 THR 47 12.507 8.246 8.246 1353 2HG2 THR 47 3HG2 THR 47 11.722 9.281 9.281 1354 3HG2 THR 47 2HG2 THR 47 10.748 8.364 8.364 1355 H THR 48 HN THR 48 11.861 10.826 10.826 1356 HA THR 48 HA THR 48 13.401 12.881 12.881 1357 HB THR 48 HB THR 48 10.844 13.727 13.727 1358 HG1 THR 48 1HG THR 48 9.918 11.993 11.993 1359 1HG2 THR 48 3HG2 THR 48 12.670 11.759 11.759 1360 2HG2 THR 48 2HG2 THR 48 11.099 12.160 12.160 1361 3HG2 THR 48 1HG2 THR 48 12.306 13.422 13.422 1362 H ASN 49 HN ASN 49 11.157 12.945 12.945 1363 HA ASN 49 HA ASN 49 12.039 15.656 15.656 1364 1HB ASN 49 2HB ASN 49 9.180 14.814 14.814 1365 2HB ASN 49 1HB ASN 49 9.589 16.153 16.153 1366 1HD2 ASN 49 2HD2 ASN 49 9.630 16.588 16.588 1367 2HD2 ASN 49 1HD2 ASN 49 9.280 15.081 15.081 1368 H MET 50 HN MET 50 12.701 15.716 15.716 1369 HA MET 50 HA MET 50 12.108 13.542 13.542 1370 1HB MET 50 2HB MET 50 13.971 15.859 15.859 1371 2HB MET 50 1HB MET 50 13.530 15.193 15.193 1372 1HG MET 50 2HG MET 50 14.593 13.507 13.507 1373 2HG MET 50 1HG MET 50 15.631 14.290 14.290 1374 1HE MET 50 2HE MET 50 15.673 11.480 11.480 1375 2HE MET 50 1HE MET 50 15.421 10.381 10.381 1376 3HE MET 50 3HE MET 50 14.113 10.685 10.685 1377 H ARG 51 HN ARG 51 10.578 16.444 16.444 1378 HA ARG 51 HA ARG 51 9.636 16.969 16.969 1379 1HB ARG 51 2HB ARG 51 8.475 18.306 18.306 1380 2HB ARG 51 1HB ARG 51 8.775 18.961 18.961 1381 1HG ARG 51 2HG ARG 51 11.229 18.847 18.847 1382 2HG ARG 51 1HG ARG 51 10.778 18.455 18.455 1383 1HD ARG 51 2HD ARG 51 9.980 20.553 20.553 1384 2HD ARG 51 1HD ARG 51 9.526 20.837 20.837 1385 HE ARG 51 HE ARG 51 12.275 20.725 20.725 1386 1HH1 ARG 51 1HH2 ARG 51 9.814 22.660 22.660 1387 2HH1 ARG 51 2HH2 ARG 51 10.805 24.077 24.077 1388 1HH2 ARG 51 1HH1 ARG 51 13.589 22.586 22.586 1389 2HH2 ARG 51 2HH1 ARG 51 12.951 24.035 24.035 1390 H ARG 52 HN ARG 52 8.396 15.757 15.757 1391 HA ARG 52 HA ARG 52 5.752 15.314 15.314 1392 1HB ARG 52 2HB ARG 52 6.982 14.677 14.677 1393 2HB ARG 52 1HB ARG 52 5.321 14.285 14.285 1394 1HG ARG 52 2HG ARG 52 4.884 16.680 16.680 1395 2HG ARG 52 1HG ARG 52 6.533 17.038 17.038 1396 1HD ARG 52 2HD ARG 52 5.987 15.893 15.893 1397 2HD ARG 52 1HD ARG 52 4.307 15.840 15.840 1398 HE ARG 52 HE ARG 52 5.405 18.476 18.476 1399 1HH1 ARG 52 1HH2 ARG 52 4.001 16.103 16.103 1400 2HH1 ARG 52 2HH2 ARG 52 3.411 17.275 17.275 1401 1HH2 ARG 52 1HH1 ARG 52 4.634 20.028 20.028 1402 2HH2 ARG 52 2HH1 ARG 52 3.771 19.508 19.508 1403 H LEU 53 HN LEU 53 8.213 13.208 13.208 1404 HA LEU 53 HA LEU 53 7.045 10.910 10.910 1405 1HB LEU 53 2HB LEU 53 9.396 10.749 10.749 1406 2HB LEU 53 1HB LEU 53 8.156 9.550 9.550 1407 HG LEU 53 HG LEU 53 7.847 12.067 12.067 1408 1HD1 LEU 53 3HD1 LEU 53 8.957 9.742 9.742 1409 2HD1 LEU 53 2HD1 LEU 53 7.257 9.399 9.399 1410 3HD1 LEU 53 1HD1 LEU 53 8.034 10.795 10.795 1411 1HD2 LEU 53 1HD2 LEU 53 5.814 9.986 9.986 1412 2HD2 LEU 53 3HD2 LEU 53 5.800 11.702 11.702 1413 3HD2 LEU 53 2HD2 LEU 53 5.570 11.193 11.193 1414 H SER 54 HN SER 54 8.000 9.863 9.863 1415 HA SER 54 HA SER 54 10.727 10.680 10.680 1416 1HB SER 54 2HB SER 54 8.515 10.104 10.104 1417 2HB SER 54 1HB SER 54 10.119 10.749 10.749 1418 HG SER 54 HG SER 54 7.892 12.010 12.010 1419 H VAL 55 HN VAL 55 11.969 8.957 8.957 1420 HA VAL 55 HA VAL 55 11.044 6.282 6.282 1421 HB VAL 55 HB VAL 55 13.477 5.705 5.705 1422 1HG1 VAL 55 3HG1 VAL 55 12.466 7.756 7.756 1423 2HG1 VAL 55 2HG1 VAL 55 13.859 6.708 6.708 1424 3HG1 VAL 55 1HG1 VAL 55 12.249 6.008 6.008 1425 1HG2 VAL 55 1HG2 VAL 55 14.038 7.886 7.886 1426 2HG2 VAL 55 3HG2 VAL 55 15.156 7.291 7.291 1427 3HG2 VAL 55 2HG2 VAL 55 14.057 8.618 8.618 1428 H ASP 56 HN ASP 56 11.729 4.583 4.583 1429 HA ASP 56 HA ASP 56 12.954 5.107 5.107 1430 1HB ASP 56 2HB ASP 56 10.639 6.151 6.151 1431 2HB ASP 56 1HB ASP 56 10.008 4.508 4.508 1432 HA PRO 57 HA PRO 57 14.258 4.066 4.066 1433 1HB PRO 57 2HB PRO 57 16.292 2.152 2.152 1434 2HB PRO 57 1HB PRO 57 15.804 2.597 2.597 1435 1HG PRO 57 2HG PRO 57 15.261 0.174 0.174 1436 2HG PRO 57 1HG PRO 57 14.184 0.967 0.967 1437 1HD PRO 57 2HD PRO 57 13.950 0.792 0.792 1438 2HD PRO 57 1HD PRO 57 12.691 0.609 0.609 1439 HA PRO 58 HA PRO 58 15.878 6.169 6.169 1440 1HB PRO 58 2HB PRO 58 17.660 7.801 7.801 1441 2HB PRO 58 1HB PRO 58 15.915 8.026 8.026 1442 1HG PRO 58 2HG PRO 58 17.855 6.754 6.754 1443 2HG PRO 58 1HG PRO 58 16.518 7.867 7.867 1444 1HD PRO 58 2HD PRO 58 16.350 5.163 5.163 1445 2HD PRO 58 1HD PRO 58 14.951 6.191 6.191 1446 H CYS 59 HN CYS 59 17.834 4.206 4.206 1447 HA CYS 59 HA CYS 59 19.481 3.284 3.284 1448 1HB CYS 59 2HB CYS 59 21.666 4.278 4.278 1449 2HB CYS 59 1HB CYS 59 20.637 5.343 5.343 1450 HG CYS 59 HG CYS 59 19.828 6.195 6.195 1451 H GLY 60 HN GLY 60 20.974 1.665 1.665 1452 1HA GLY 60 2HA GLY 60 21.399 1.145 1.145 1453 2HA GLY 60 1HA GLY 60 20.125 0.121 0.121 1454 H VAL 61 HN VAL 61 22.333 -1.054 -1.054 1455 HA VAL 61 HA VAL 61 24.063 -1.738 -1.738 1456 HB VAL 61 HB VAL 61 24.340 -2.607 -2.607 1457 1HG1 VAL 61 2HG1 VAL 61 25.506 -3.697 -3.697 1458 2HG1 VAL 61 1HG1 VAL 61 26.678 -2.442 -2.442 1459 3HG1 VAL 61 3HG1 VAL 61 26.245 -3.660 -3.660 1460 1HG2 VAL 61 2HG2 VAL 61 25.280 -0.161 -0.161 1461 2HG2 VAL 61 1HG2 VAL 61 24.629 -0.331 -0.331 1462 3HG2 VAL 61 3HG2 VAL 61 26.274 -0.859 -0.859 1463 H LEU 62 HN LEU 62 23.647 -3.491 -3.491 1464 HA LEU 62 HA LEU 62 21.834 -5.520 -5.520 1465 1HB LEU 62 2HB LEU 62 21.889 -4.295 -4.295 1466 2HB LEU 62 1HB LEU 62 22.786 -5.760 -5.760 1467 HG LEU 62 HG LEU 62 20.865 -7.084 -7.084 1468 1HD1 LEU 62 2HD1 LEU 62 19.962 -5.204 -5.204 1469 2HD1 LEU 62 1HD1 LEU 62 19.364 -4.477 -4.477 1470 3HD1 LEU 62 3HD1 LEU 62 18.763 -6.053 -6.053 1471 1HD2 LEU 62 3HD2 LEU 62 21.229 -5.958 -5.958 1472 2HD2 LEU 62 2HD2 LEU 62 20.060 -7.219 -7.219 1473 3HD2 LEU 62 1HD2 LEU 62 19.562 -5.526 -5.526 1474 H ASP 63 HN ASP 63 22.305 -7.812 -7.812 1475 HA ASP 63 HA ASP 63 25.191 -8.356 -8.356 1476 1HB ASP 63 2HB ASP 63 22.893 -9.292 -9.292 1477 2HB ASP 63 1HB ASP 63 23.892 -10.615 -10.615 1478 HA PRO 64 HA PRO 64 25.324 -11.057 -11.057 1479 1HB PRO 64 2HB PRO 64 25.819 -13.423 -13.423 1480 2HB PRO 64 1HB PRO 64 26.785 -12.779 -12.779 1481 1HG PRO 64 2HG PRO 64 27.567 -12.465 -12.465 1482 2HG PRO 64 1HG PRO 64 27.793 -11.173 -11.173 1483 1HD PRO 64 2HD PRO 64 25.743 -11.418 -11.418 1484 2HD PRO 64 1HD PRO 64 26.612 -9.980 -9.980 1485 H LYS 65 HN LYS 65 23.389 -11.362 -11.362 1486 HA LYS 65 HA LYS 65 21.418 -12.334 -12.334 1487 1HB LYS 65 2HB LYS 65 22.294 -14.609 -14.609 1488 2HB LYS 65 1HB LYS 65 21.067 -14.679 -14.679 1489 1HG LYS 65 2HG LYS 65 22.730 -14.325 -14.325 1490 2HG LYS 65 1HG LYS 65 23.982 -14.099 -14.099 1491 1HD LYS 65 2HD LYS 65 24.032 -16.354 -16.354 1492 2HD LYS 65 1HD LYS 65 23.719 -16.391 -16.391 1493 1HE LYS 65 2HE LYS 65 22.279 -17.951 -17.951 1494 2HE LYS 65 1HE LYS 65 21.351 -16.706 -16.706 1495 1HZ LYS 65 3HZ LYS 65 22.116 -16.212 -16.212 1496 2HZ LYS 65 2HZ LYS 65 20.878 -17.328 -17.328 1497 3HZ LYS 65 1HZ LYS 65 20.726 -15.735 -15.735 1498 H GLU 66 HN GLU 66 21.379 -10.512 -10.512 1499 HA GLU 66 HA GLU 66 19.371 -11.654 -11.654 1500 1HB GLU 66 2HB GLU 66 21.493 -9.649 -9.649 1501 2HB GLU 66 1HB GLU 66 19.952 -9.178 -9.178 1502 1HG GLU 66 2HG GLU 66 20.391 -11.847 -11.847 1503 2HG GLU 66 1HG GLU 66 21.917 -10.995 -10.995 1504 H LYS 67 HN LYS 67 17.476 -10.423 -10.423 1505 HA LYS 67 HA LYS 67 16.682 -8.649 -8.649 1506 1HB LYS 67 2HB LYS 67 14.398 -9.379 -9.379 1507 2HB LYS 67 1HB LYS 67 15.436 -10.781 -10.781 1508 1HG LYS 67 2HG LYS 67 15.501 -10.607 -10.607 1509 2HG LYS 67 1HG LYS 67 13.905 -9.921 -9.921 1510 1HD LYS 67 2HD LYS 67 13.074 -11.954 -11.954 1511 2HD LYS 67 1HD LYS 67 14.243 -12.234 -12.234 1512 1HE LYS 67 2HE LYS 67 15.711 -13.333 -13.333 1513 2HE LYS 67 1HE LYS 67 15.147 -12.494 -12.494 1514 1HZ LYS 67 2HZ LYS 67 12.965 -13.868 -13.868 1515 2HZ LYS 67 1HZ LYS 67 14.164 -14.927 -14.927 1516 3HZ LYS 67 3HZ LYS 67 14.141 -14.447 -14.447 1517 H VAL 68 HN VAL 68 15.535 -6.771 -6.771 1518 HA VAL 68 HA VAL 68 15.198 -6.015 -6.015 1519 HB VAL 68 HB VAL 68 17.368 -5.100 -5.100 1520 1HG1 VAL 68 1HG1 VAL 68 16.893 -4.939 -4.939 1521 2HG1 VAL 68 3HG1 VAL 68 15.806 -3.588 -3.588 1522 3HG1 VAL 68 2HG1 VAL 68 17.530 -3.431 -3.431 1523 1HG2 VAL 68 3HG2 VAL 68 15.299 -3.752 -3.752 1524 2HG2 VAL 68 2HG2 VAL 68 16.997 -3.277 -3.277 1525 3HG2 VAL 68 1HG2 VAL 68 15.891 -2.597 -2.597 1526 H LEU 69 HN LEU 69 13.514 -4.613 -4.613 1527 HA LEU 69 HA LEU 69 11.575 -4.369 -4.369 1528 1HB LEU 69 2HB LEU 69 11.543 -4.308 -4.308 1529 2HB LEU 69 1HB LEU 69 10.489 -3.111 -3.111 1530 HG LEU 69 HG LEU 69 10.400 -6.065 -6.065 1531 1HD1 LEU 69 2HD1 LEU 69 9.613 -4.883 -4.883 1532 2HD1 LEU 69 1HD1 LEU 69 8.131 -4.868 -4.868 1533 3HD1 LEU 69 3HD1 LEU 69 8.972 -6.389 -6.389 1534 1HD2 LEU 69 2HD2 LEU 69 9.418 -3.885 -3.885 1535 2HD2 LEU 69 1HD2 LEU 69 8.959 -5.577 -5.577 1536 3HD2 LEU 69 3HD2 LEU 69 8.026 -4.525 -4.525 1537 H MET 70 HN MET 70 10.583 -2.414 -2.414 1538 HA MET 70 HA MET 70 12.038 0.048 0.048 1539 1HB MET 70 2HB MET 70 12.350 -1.249 -1.249 1540 2HB MET 70 1HB MET 70 11.105 -0.063 -0.063 1541 1HG MET 70 2HG MET 70 12.926 1.424 1.424 1542 2HG MET 70 1HG MET 70 13.954 0.295 0.295 1543 1HE MET 70 3HE MET 70 13.028 -0.387 -0.387 1544 2HE MET 70 2HE MET 70 12.997 0.901 0.901 1545 3HE MET 70 1HE MET 70 14.455 0.618 0.618 1546 H ALA 71 HN ALA 71 10.837 2.011 2.011 1547 HA ALA 71 HA ALA 71 7.962 1.686 1.686 1548 1HB ALA 71 3HB ALA 71 8.731 1.667 1.667 1549 2HB ALA 71 2HB ALA 71 8.796 3.413 3.413 1550 3HB ALA 71 1HB ALA 71 7.286 2.543 2.543 1551 H VAL 72 HN VAL 72 7.377 3.078 3.078 1552 HA VAL 72 HA VAL 72 8.870 5.601 5.601 1553 HB VAL 72 HB VAL 72 7.095 4.350 4.350 1554 1HG1 VAL 72 2HG1 VAL 72 8.672 6.791 6.791 1555 2HG1 VAL 72 1HG1 VAL 72 9.037 5.847 5.847 1556 3HG1 VAL 72 3HG1 VAL 72 7.383 6.366 6.366 1557 1HG2 VAL 72 1HG2 VAL 72 9.680 3.491 3.491 1558 2HG2 VAL 72 3HG2 VAL 72 8.651 2.807 2.807 1559 3HG2 VAL 72 2HG2 VAL 72 9.787 4.095 4.095 1560 H SER 73 HN SER 73 7.664 6.712 6.712 1561 HA SER 73 HA SER 73 4.862 6.866 6.866 1562 1HB SER 73 2HB SER 73 7.103 8.478 8.478 1563 2HB SER 73 1HB SER 73 5.490 9.193 9.193 1564 HG SER 73 HG SER 73 6.511 7.197 7.197 1565 H CYS 74 HN CYS 74 3.408 8.368 8.368 1566 HA CYS 74 HA CYS 74 4.410 10.297 10.297 1567 1HB CYS 74 2HB CYS 74 3.674 8.227 8.227 1568 2HB CYS 74 1HB CYS 74 2.066 8.452 8.452 1569 HG CYS 74 HG CYS 74 3.128 9.817 9.817 1570 H ASP 75 HN ASP 75 3.886 12.144 12.144 1571 HA ASP 75 HA ASP 75 1.751 12.569 12.569 1572 1HB ASP 75 2HB ASP 75 2.139 14.967 14.967 1573 2HB ASP 75 1HB ASP 75 3.660 14.099 14.099 1574 H THR 76 HN THR 76 -0.261 13.605 13.605 1575 HA THR 76 HA THR 76 -1.722 12.823 12.823 1576 HB THR 76 HB THR 76 -3.603 13.631 13.631 1577 HG1 THR 76 1HG THR 76 -1.893 15.508 15.508 1578 1HG2 THR 76 3HG2 THR 76 -2.150 12.041 12.041 1579 2HG2 THR 76 2HG2 THR 76 -1.914 13.473 13.473 1580 3HG2 THR 76 1HG2 THR 76 -3.541 12.856 12.856 1581 H PHE 77 HN PHE 77 -1.545 13.751 13.751 1582 HA PHE 77 HA PHE 77 -1.368 16.690 16.690 1583 1HB PHE 77 2HB PHE 77 0.036 16.522 16.522 1584 2HB PHE 77 1HB PHE 77 0.754 15.558 15.558 1585 HD1 PHE 77 2HD PHE 77 0.648 13.103 13.103 1586 HD2 PHE 77 1HD PHE 77 -0.750 15.524 15.524 1587 HE1 PHE 77 2HE PHE 77 0.696 11.146 11.146 1588 HE2 PHE 77 1HE PHE 77 -0.707 13.570 13.570 1589 HZ PHE 77 HZ PHE 77 0.016 11.379 11.379 1590 H ASN 78 HN ASN 78 -1.909 17.368 17.368 1591 HA ASN 78 HA ASN 78 -4.398 15.970 15.970 1592 1HB ASN 78 2HB ASN 78 -4.332 18.462 18.462 1593 2HB ASN 78 1HB ASN 78 -4.108 18.840 18.840 1594 1HD2 ASN 78 2HD2 ASN 78 -7.700 18.932 18.932 1595 2HD2 ASN 78 1HD2 ASN 78 -6.293 19.814 19.814 1596 H ALA 79 HN ALA 79 -3.419 14.707 14.707 1597 HA ALA 79 HA ALA 79 -1.636 15.545 15.545 1598 1HB ALA 79 3HB ALA 79 -2.589 13.178 13.178 1599 2HB ALA 79 2HB ALA 79 -3.726 13.538 13.538 1600 3HB ALA 79 1HB ALA 79 -1.992 13.521 13.521 1601 H ALA 80 HN ALA 80 -5.053 16.071 16.071 1602 HA ALA 80 HA ALA 80 -5.834 16.547 16.547 1603 1HB ALA 80 1HB ALA 80 -6.905 16.996 16.996 1604 2HB ALA 80 3HB ALA 80 -6.922 18.572 18.572 1605 3HB ALA 80 2HB ALA 80 -7.721 17.193 17.193 1606 H THR 81 HN THR 81 -4.343 18.859 18.859 1607 HA THR 81 HA THR 81 -3.587 20.492 20.492 1608 HB THR 81 HB THR 81 -3.857 22.498 22.498 1609 HG1 THR 81 1HG THR 81 -3.966 22.262 22.262 1610 1HG2 THR 81 1HG2 THR 81 -5.797 21.533 21.533 1611 2HG2 THR 81 3HG2 THR 81 -6.396 20.924 20.924 1612 3HG2 THR 81 2HG2 THR 81 -6.190 22.661 22.661 1613 H GLU 82 HN GLU 82 -1.860 18.596 18.596 1614 HA GLU 82 HA GLU 82 0.280 20.141 20.141 1615 1HB GLU 82 2HB GLU 82 -0.694 17.408 17.408 1616 2HB GLU 82 1HB GLU 82 1.006 17.810 17.810 1617 1HG GLU 82 2HG GLU 82 -1.242 19.421 19.421 1618 2HG GLU 82 1HG GLU 82 -0.413 18.118 18.118 1619 H ASP 83 HN ASP 83 2.455 19.255 19.255 1620 HA ASP 83 HA ASP 83 2.648 18.572 18.572 1621 1HB ASP 83 2HB ASP 83 5.126 18.698 18.698 1622 2HB ASP 83 1HB ASP 83 4.231 20.168 20.168 1623 H LEU 84 HN LEU 84 3.004 16.624 16.624 1624 HA LEU 84 HA LEU 84 3.804 14.431 14.431 1625 1HB LEU 84 2HB LEU 84 1.959 14.050 14.050 1626 2HB LEU 84 1HB LEU 84 2.268 12.953 12.953 1627 HG LEU 84 HG LEU 84 0.869 15.604 15.604 1628 1HD1 LEU 84 2HD1 LEU 84 -0.426 14.173 14.173 1629 2HD1 LEU 84 1HD1 LEU 84 -0.337 12.859 12.859 1630 3HD1 LEU 84 3HD1 LEU 84 -1.213 14.337 14.337 1631 1HD2 LEU 84 3HD2 LEU 84 2.045 14.351 14.351 1632 2HD2 LEU 84 2HD2 LEU 84 0.399 14.940 14.940 1633 3HD2 LEU 84 1HD2 LEU 84 0.684 13.236 13.236 1634 H ASN 85 HN ASN 85 5.787 15.675 15.675 1635 HA ASN 85 HA ASN 85 6.385 14.050 14.050 1636 1HB ASN 85 2HB ASN 85 6.462 16.794 16.794 1637 2HB ASN 85 1HB ASN 85 8.146 16.339 16.339 1638 1HD2 ASN 85 2HD2 ASN 85 7.715 16.890 16.890 1639 2HD2 ASN 85 1HD2 ASN 85 7.651 17.819 17.819 1640 H ASN 86 HN ASN 86 7.349 14.845 14.845 1641 HA ASN 86 HA ASN 86 10.042 13.999 13.999 1642 1HB ASN 86 2HB ASN 86 8.082 14.316 14.316 1643 2HB ASN 86 1HB ASN 86 9.692 13.660 13.660 1644 1HD2 ASN 86 2HD2 ASN 86 11.239 16.791 16.791 1645 2HD2 ASN 86 1HD2 ASN 86 11.298 15.121 15.121 1646 H ASP 87 HN ASP 87 7.903 12.238 12.238 1647 HA ASP 87 HA ASP 87 7.874 10.009 10.009 1648 1HB ASP 87 2HB ASP 87 7.084 8.649 8.649 1649 2HB ASP 87 1HB ASP 87 6.089 10.022 10.022 1650 H ARG 88 HN ARG 88 10.094 9.732 9.732 1651 HA ARG 88 HA ARG 88 11.384 7.723 7.723 1652 1HB ARG 88 2HB ARG 88 12.281 10.535 10.535 1653 2HB ARG 88 1HB ARG 88 13.537 9.319 9.319 1654 1HG ARG 88 2HG ARG 88 11.865 8.226 8.226 1655 2HG ARG 88 1HG ARG 88 11.887 9.945 9.945 1656 1HD ARG 88 2HD ARG 88 14.399 8.382 8.382 1657 2HD ARG 88 1HD ARG 88 13.672 8.482 8.482 1658 HE ARG 88 HE ARG 88 15.210 10.488 10.488 1659 1HH1 ARG 88 1HH2 ARG 88 12.540 10.008 10.008 1660 2HH1 ARG 88 2HH2 ARG 88 12.746 11.533 11.533 1661 1HH2 ARG 88 1HH1 ARG 88 15.492 12.499 12.499 1662 2HH2 ARG 88 2HH1 ARG 88 14.424 12.949 12.949 1663 H ILE 89 HN ILE 89 12.679 6.521 6.521 1664 HA ILE 89 HA ILE 89 13.478 7.556 7.556 1665 HB ILE 89 HB ILE 89 12.800 4.689 4.689 1666 1HG1 ILE 89 2HG1 ILE 89 11.200 6.789 6.789 1667 2HG1 ILE 89 1HG1 ILE 89 10.778 6.027 6.027 1668 1HG2 ILE 89 2HG2 ILE 89 13.662 6.064 6.064 1669 2HG2 ILE 89 1HG2 ILE 89 12.751 4.554 4.554 1670 3HG2 ILE 89 3HG2 ILE 89 14.322 4.614 4.614 1671 1HD1 ILE 89 3HD1 ILE 89 11.130 3.925 3.925 1672 2HD1 ILE 89 2HD1 ILE 89 10.243 5.164 5.164 1673 3HD1 ILE 89 1HD1 ILE 89 9.610 4.550 4.550 1674 H THR 90 HN THR 90 15.445 6.418 6.418 1675 HA THR 90 HA THR 90 17.162 5.211 5.211 1676 HB THR 90 HB THR 90 18.051 7.694 7.694 1677 HG1 THR 90 1HG THR 90 17.974 8.593 8.593 1678 1HG2 THR 90 3HG2 THR 90 19.366 5.899 5.899 1679 2HG2 THR 90 2HG2 THR 90 19.779 7.612 7.612 1680 3HG2 THR 90 1HG2 THR 90 20.010 6.598 6.598 1681 H ILE 91 HN ILE 91 17.915 3.457 3.457 1682 HA ILE 91 HA ILE 91 18.553 3.556 3.556 1683 HB ILE 91 HB ILE 91 17.978 1.117 1.117 1684 1HG1 ILE 91 2HG1 ILE 91 15.928 1.123 1.123 1685 2HG1 ILE 91 1HG1 ILE 91 16.253 2.852 2.852 1686 1HG2 ILE 91 1HG2 ILE 91 18.758 1.534 1.534 1687 2HG2 ILE 91 3HG2 ILE 91 17.663 0.209 0.209 1688 3HG2 ILE 91 2HG2 ILE 91 19.261 0.284 0.284 1689 1HD1 ILE 91 3HD1 ILE 91 15.959 1.463 1.463 1690 2HD1 ILE 91 2HD1 ILE 91 14.541 1.952 1.952 1691 3HD1 ILE 91 1HD1 ILE 91 15.712 3.162 3.162 1692 H GLU 92 HN GLU 92 20.670 4.158 4.158 1693 HA GLU 92 HA GLU 92 22.558 2.674 2.674 1694 1HB GLU 92 2HB GLU 92 23.325 5.037 5.037 1695 2HB GLU 92 1HB GLU 92 24.041 4.463 4.463 1696 1HG GLU 92 2HG GLU 92 22.923 6.129 6.129 1697 2HG GLU 92 1HG GLU 92 21.505 5.096 5.096 1698 H TRP 93 HN TRP 93 24.141 1.401 1.401 1699 HA TRP 93 HA TRP 93 24.482 1.365 1.365 1700 1HB TRP 93 2HB TRP 93 24.285 -1.042 -1.042 1701 2HB TRP 93 1HB TRP 93 22.819 -0.382 -0.382 1702 HD1 TRP 93 1HD TRP 93 25.317 -3.022 -3.022 1703 HE1 TRP 93 1HE TRP 93 25.113 -4.009 -4.009 1704 HE3 TRP 93 3HE TRP 93 22.316 0.540 0.540 1705 HZ2 TRP 93 2HZ TRP 93 23.848 -3.363 -3.363 1706 HZ3 TRP 93 3HZ TRP 93 21.654 0.280 0.280 1707 HH2 TRP 93 2HH TRP 93 22.406 -1.630 -1.630 1708 H THR 94 HN THR 94 26.465 0.539 0.539 1709 HA THR 94 HA THR 94 28.458 -0.236 -0.236 1710 HB THR 94 HB THR 94 28.725 2.155 2.155 1711 HG1 THR 94 1HG THR 94 30.694 0.993 0.993 1712 1HG2 THR 94 3HG2 THR 94 28.784 1.955 1.955 1713 2HG2 THR 94 2HG2 THR 94 29.375 3.354 3.354 1714 3HG2 THR 94 1HG2 THR 94 27.678 2.888 2.888 1715 H ASN 95 HN ASN 95 29.824 -1.727 -1.727 1716 HA ASN 95 HA ASN 95 29.406 -3.010 -3.010 1717 1HB ASN 95 2HB ASN 95 31.960 -2.907 -2.907 1718 2HB ASN 95 1HB ASN 95 31.591 -4.098 -4.098 1719 1HD2 ASN 95 2HD2 ASN 95 30.713 -5.975 -5.975 1720 2HD2 ASN 95 1HD2 ASN 95 32.021 -5.570 -5.570 1721 H THR 96 HN THR 96 30.475 -3.033 -3.033 1722 HA THR 96 HA THR 96 31.737 -0.485 -0.485 1723 HB THR 96 HB THR 96 31.063 -0.843 -0.843 1724 HG1 THR 96 1HG THR 96 31.378 -2.722 -2.722 1725 1HG2 THR 96 2HG2 THR 96 28.969 -2.282 -2.282 1726 2HG2 THR 96 1HG2 THR 96 28.755 -1.608 -1.608 1727 3HG2 THR 96 3HG2 THR 96 29.074 -0.538 -0.538 1728 HA PRO 97 HA PRO 97 35.840 -2.096 -2.096 1729 1HB PRO 97 2HB PRO 97 36.000 -0.587 -0.587 1730 2HB PRO 97 1HB PRO 97 37.073 -0.538 -0.538 1731 1HG PRO 97 2HG PRO 97 35.352 1.440 1.440 1732 2HG PRO 97 1HG PRO 97 35.673 0.877 0.877 1733 1HD PRO 97 2HD PRO 97 33.309 0.377 0.377 1734 2HD PRO 97 1HD PRO 97 33.385 0.601 0.601 1735 H ASP 98 HN ASP 98 37.185 -3.475 -3.475 1736 HA ASP 98 HA ASP 98 35.950 -5.607 -5.607 1737 1HB ASP 98 2HB ASP 98 38.707 -4.491 -4.491 1738 2HB ASP 98 1HB ASP 98 38.163 -6.051 -6.051 1739 H GLY 99 HN GLY 99 34.681 -5.740 -5.740 1740 1HA GLY 99 2HA GLY 99 33.718 -5.252 -5.252 1741 2HA GLY 99 1HA GLY 99 35.382 -5.189 -5.189 1742 H ALA 100 HN ALA 100 33.461 -3.078 -3.078 1743 HA ALA 100 HA ALA 100 34.522 -0.744 -0.744 1744 1HB ALA 100 3HB ALA 100 34.067 -1.097 -1.097 1745 2HB ALA 100 2HB ALA 100 32.440 -0.565 -0.565 1746 3HB ALA 100 1HB ALA 100 33.823 0.483 0.483 1747 H ALA 101 HN ALA 101 33.294 -1.702 -1.702 1748 HA ALA 101 HA ALA 101 31.647 -1.467 -1.467 1749 1HB ALA 101 3HB ALA 101 32.224 0.894 0.894 1750 2HB ALA 101 2HB ALA 101 31.011 1.021 1.021 1751 3HB ALA 101 1HB ALA 101 30.515 0.678 0.678 1752 H LYS 102 HN LYS 102 29.308 -1.353 -1.353 1753 HA LYS 102 HA LYS 102 27.866 -2.609 -2.609 1754 1HB LYS 102 2HB LYS 102 27.170 -2.669 -2.669 1755 2HB LYS 102 1HB LYS 102 26.410 -3.606 -3.606 1756 1HG LYS 102 2HG LYS 102 28.125 -5.096 -5.096 1757 2HG LYS 102 1HG LYS 102 29.334 -3.914 -3.914 1758 1HD LYS 102 2HD LYS 102 29.210 -5.276 -5.276 1759 2HD LYS 102 1HD LYS 102 28.064 -4.000 -4.000 1760 1HE LYS 102 2HE LYS 102 26.643 -5.684 -5.684 1761 2HE LYS 102 1HE LYS 102 26.475 -5.757 -5.757 1762 1HZ LYS 102 1HZ LYS 102 28.567 -7.297 -7.297 1763 2HZ LYS 102 3HZ LYS 102 27.941 -7.535 -7.535 1764 3HZ LYS 102 2HZ LYS 102 27.003 -7.909 -7.909 1765 H GLN 103 HN GLN 103 27.591 -0.416 -0.416 1766 HA GLN 103 HA GLN 103 24.996 0.527 0.527 1767 1HB GLN 103 2HB GLN 103 26.609 1.400 1.400 1768 2HB GLN 103 1HB GLN 103 26.582 2.768 2.768 1769 1HG GLN 103 2HG GLN 103 23.948 1.624 1.624 1770 2HG GLN 103 1HG GLN 103 24.686 2.153 2.153 1771 1HE2 GLN 103 2HE2 GLN 103 22.848 5.021 5.021 1772 2HE2 GLN 103 1HE2 GLN 103 22.498 3.444 3.444 1773 H PHE 104 HN PHE 104 24.447 2.130 2.130 1774 HA PHE 104 HA PHE 104 26.106 2.293 2.293 1775 1HB PHE 104 2HB PHE 104 23.689 2.415 2.415 1776 2HB PHE 104 1HB PHE 104 23.653 3.891 3.891 1777 HD1 PHE 104 1HD PHE 104 25.128 2.516 2.516 1778 HD2 PHE 104 2HD PHE 104 23.626 5.928 5.928 1779 HE1 PHE 104 1HE PHE 104 25.353 3.844 3.844 1780 HE2 PHE 104 2HE PHE 104 23.846 7.264 7.264 1781 HZ PHE 104 HZ PHE 104 24.712 6.222 6.222 1782 H ARG 105 HN ARG 105 27.148 4.083 4.083 1783 HA ARG 105 HA ARG 105 27.610 6.410 6.410 1784 1HB ARG 105 2HB ARG 105 29.577 4.344 4.344 1785 2HB ARG 105 1HB ARG 105 30.115 5.971 5.971 1786 1HG ARG 105 2HG ARG 105 30.514 6.439 6.439 1787 2HG ARG 105 1HG ARG 105 28.909 5.891 5.891 1788 1HD ARG 105 2HD ARG 105 29.747 4.012 4.012 1789 2HD ARG 105 1HD ARG 105 30.551 3.640 3.640 1790 HE ARG 105 HE ARG 105 32.515 4.352 4.352 1791 1HH1 ARG 105 1HH2 ARG 105 29.875 5.617 5.617 1792 2HH1 ARG 105 2HH2 ARG 105 30.899 6.276 6.276 1793 1HH2 ARG 105 1HH1 ARG 105 33.873 5.217 5.217 1794 2HH2 ARG 105 2HH1 ARG 105 33.173 6.050 6.050 1795 H ARG 106 HN ARG 106 28.163 8.294 8.294 1796 HA ARG 106 HA ARG 106 27.357 8.337 8.337 1797 1HB ARG 106 2HB ARG 106 26.649 10.087 10.087 1798 2HB ARG 106 1HB ARG 106 28.324 10.599 10.599 1799 1HG ARG 106 2HG ARG 106 28.089 11.927 11.927 1800 2HG ARG 106 1HG ARG 106 27.650 10.547 10.547 1801 1HD ARG 106 2HD ARG 106 25.618 11.780 11.780 1802 2HD ARG 106 1HD ARG 106 25.996 12.542 12.542 1803 HE ARG 106 HE ARG 106 25.505 9.846 9.846 1804 1HH1 ARG 106 1HH2 ARG 106 23.789 12.653 12.653 1805 2HH1 ARG 106 2HH2 ARG 106 22.253 12.116 12.116 1806 1HH2 ARG 106 1HH1 ARG 106 23.488 9.130 9.130 1807 2HH2 ARG 106 2HH1 ARG 106 22.082 10.113 10.113 1808 H GLU 107 HN GLU 107 30.318 8.324 8.324 1809 HA GLU 107 HA GLU 107 31.983 9.524 9.524 1810 1HB GLU 107 2HB GLU 107 33.823 8.303 8.303 1811 2HB GLU 107 1HB GLU 107 32.847 9.426 9.426 1812 1HG GLU 107 2HG GLU 107 31.932 7.795 7.795 1813 2HG GLU 107 1HG GLU 107 31.944 6.617 6.617 1814 H TRP 108 HN TRP 108 30.570 6.393 6.393 1815 HA TRP 108 HA TRP 108 32.423 4.880 4.880 1816 1HB TRP 108 2HB TRP 108 29.450 4.570 4.570 1817 2HB TRP 108 1HB TRP 108 30.415 3.394 3.394 1818 HD1 TRP 108 1HD TRP 108 32.854 4.100 4.100 1819 HE1 TRP 108 1HE TRP 108 32.695 2.681 2.681 1820 HE3 TRP 108 3HE TRP 108 28.027 2.478 2.478 1821 HZ2 TRP 108 2HZ TRP 108 30.777 1.085 1.085 1822 HZ3 TRP 108 3HZ TRP 108 27.106 1.007 1.007 1823 HH2 TRP 108 2HH TRP 108 28.454 0.325 0.325 1824 H PHE 109 HN PHE 109 29.912 7.097 7.097 1825 HA PHE 109 HA PHE 109 30.038 6.291 6.291 1826 1HB PHE 109 2HB PHE 109 28.429 8.236 8.236 1827 2HB PHE 109 1HB PHE 109 28.592 8.517 8.517 1828 HD1 PHE 109 1HD PHE 109 27.832 5.707 5.707 1829 HD2 PHE 109 2HD PHE 109 26.982 7.628 7.628 1830 HE1 PHE 109 1HE PHE 109 26.036 4.080 4.080 1831 HE2 PHE 109 2HE PHE 109 25.182 6.006 6.006 1832 HZ PHE 109 HZ PHE 109 24.709 4.229 4.229 1833 H GLN 110 HN GLN 110 31.465 8.662 8.662 1834 HA GLN 110 HA GLN 110 32.682 9.998 9.998 1835 1HB GLN 110 2HB GLN 110 32.459 11.010 11.010 1836 2HB GLN 110 1HB GLN 110 33.103 11.900 11.900 1837 1HG GLN 110 2HG GLN 110 31.034 12.276 12.276 1838 2HG GLN 110 1HG GLN 110 30.321 10.855 10.855 1839 1HE2 GLN 110 2HE2 GLN 110 28.755 13.359 13.359 1840 2HE2 GLN 110 1HE2 GLN 110 28.605 12.398 12.398 1841 H GLY 111 HN GLY 111 33.905 7.747 7.747 1842 1HA GLY 111 2HA GLY 111 36.522 8.472 8.472 1843 2HA GLY 111 1HA GLY 111 35.759 7.205 7.205 1844 H ASP 112 HN ASP 112 36.951 5.459 5.459 1845 HA ASP 112 HA ASP 112 37.560 4.921 4.921 1846 1HB ASP 112 2HB ASP 112 38.532 3.893 3.893 1847 2HB ASP 112 1HB ASP 112 38.622 2.806 2.806 1848 H GLY 113 HN GLY 113 36.876 3.093 3.093 1849 1HA GLY 113 2HA GLY 113 35.737 0.971 0.971 1850 2HA GLY 113 1HA GLY 113 34.781 1.479 1.479 1851 H MET 114 HN MET 114 34.383 0.707 0.707 1852 HA MET 114 HA MET 114 33.060 2.918 2.918 1853 1HB MET 114 2HB MET 114 32.869 -0.046 -0.046 1854 2HB MET 114 1HB MET 114 32.073 1.178 1.178 1855 1HG MET 114 2HG MET 114 34.495 2.171 2.171 1856 2HG MET 114 1HG MET 114 34.961 0.517 0.517 1857 1HE MET 114 3HE MET 114 36.124 -0.146 -0.146 1858 2HE MET 114 2HE MET 114 35.339 -1.154 -1.154 1859 3HE MET 114 1HE MET 114 36.038 0.401 0.401 1860 H VAL 115 HN VAL 115 30.815 3.249 3.249 1861 HA VAL 115 HA VAL 115 29.066 1.910 1.910 1862 HB VAL 115 HB VAL 115 28.846 4.833 4.833 1863 1HG1 VAL 115 3HG1 VAL 115 27.216 2.965 2.965 1864 2HG1 VAL 115 2HG1 VAL 115 27.743 4.275 4.275 1865 3HG1 VAL 115 1HG1 VAL 115 26.881 4.641 4.641 1866 1HG2 VAL 115 2HG2 VAL 115 30.997 4.296 4.296 1867 2HG2 VAL 115 1HG2 VAL 115 29.937 5.392 5.392 1868 3HG2 VAL 115 3HG2 VAL 115 30.044 3.697 3.697 1869 H ARG 116 HN ARG 116 27.251 1.095 1.095 1870 HA ARG 116 HA ARG 116 26.600 1.746 1.746 1871 1HB ARG 116 2HB ARG 116 26.871 -0.661 -0.661 1872 2HB ARG 116 1HB ARG 116 25.234 -0.406 -0.406 1873 1HG ARG 116 2HG ARG 116 24.347 -0.749 -0.749 1874 2HG ARG 116 1HG ARG 116 25.534 0.289 0.289 1875 1HD ARG 116 2HD ARG 116 27.150 -1.714 -1.714 1876 2HD ARG 116 1HD ARG 116 25.657 -2.640 -2.640 1877 HE ARG 116 HE ARG 116 25.769 -1.031 -1.031 1878 1HH1 ARG 116 1HH2 ARG 116 26.681 -4.075 -4.075 1879 2HH1 ARG 116 2HH2 ARG 116 26.781 -4.903 -4.903 1880 1HH2 ARG 116 1HH1 ARG 116 25.898 -2.111 -2.111 1881 2HH2 ARG 116 2HH1 ARG 116 26.336 -3.786 -3.786 1882 H ARG 117 HN ARG 117 24.434 2.224 2.224 1883 HA ARG 117 HA ARG 117 22.568 2.956 2.956 1884 1HB ARG 117 2HB ARG 117 22.263 5.203 5.203 1885 2HB ARG 117 1HB ARG 117 23.979 4.958 4.958 1886 1HG ARG 117 2HG ARG 117 24.137 4.445 4.445 1887 2HG ARG 117 1HG ARG 117 22.535 5.178 5.178 1888 1HD ARG 117 2HD ARG 117 25.118 6.440 6.440 1889 2HD ARG 117 1HD ARG 117 24.052 6.918 6.918 1890 HE ARG 117 HE ARG 117 23.787 7.603 7.603 1891 1HH1 ARG 117 1HH2 ARG 117 22.162 7.300 7.300 1892 2HH1 ARG 117 2HH2 ARG 117 20.898 8.411 8.411 1893 1HH2 ARG 117 1HH1 ARG 117 22.129 9.065 9.065 1894 2HH2 ARG 117 2HH1 ARG 117 20.879 9.414 9.414 1895 H LYS 118 HN LYS 118 20.541 2.481 2.481 1896 HA LYS 118 HA LYS 118 19.866 1.973 1.973 1897 1HB LYS 118 2HB LYS 118 19.602 0.306 0.306 1898 2HB LYS 118 1HB LYS 118 17.999 0.687 0.687 1899 1HG LYS 118 2HG LYS 118 19.005 0.017 0.017 1900 2HG LYS 118 1HG LYS 118 20.224 -0.800 -0.800 1901 1HD LYS 118 2HD LYS 118 18.727 -2.504 -2.504 1902 2HD LYS 118 1HD LYS 118 18.040 -1.687 -1.687 1903 1HE LYS 118 2HE LYS 118 16.129 -1.633 -1.633 1904 2HE LYS 118 1HE LYS 118 16.884 -0.361 -0.361 1905 1HZ LYS 118 3HZ LYS 118 17.513 -3.074 -3.074 1906 2HZ LYS 118 2HZ LYS 118 15.901 -2.614 -2.614 1907 3HZ LYS 118 1HZ LYS 118 17.142 -1.720 -1.720 1908 H ASN 119 HN ASN 119 17.555 2.309 2.309 1909 HA ASN 119 HA ASN 119 16.332 4.397 4.397 1910 1HB ASN 119 2HB ASN 119 17.012 4.507 4.507 1911 2HB ASN 119 1HB ASN 119 15.571 5.346 5.346 1912 1HD2 ASN 119 2HD2 ASN 119 19.171 6.976 6.976 1913 2HD2 ASN 119 1HD2 ASN 119 18.851 5.570 5.570 1914 H LEU 120 HN LEU 120 14.079 4.549 4.549 1915 HA LEU 120 HA LEU 120 12.606 2.552 2.552 1916 1HB LEU 120 2HB LEU 120 12.590 2.781 2.781 1917 2HB LEU 120 1HB LEU 120 11.278 2.030 2.030 1918 HG LEU 120 HG LEU 120 13.920 0.970 0.970 1919 1HD1 LEU 120 1HD1 LEU 120 13.165 1.259 1.259 1920 2HD1 LEU 120 3HD1 LEU 120 13.471 -0.413 -0.413 1921 3HD1 LEU 120 2HD1 LEU 120 14.713 0.816 0.816 1922 1HD2 LEU 120 3HD2 LEU 120 11.164 0.142 0.142 1923 2HD2 LEU 120 2HD2 LEU 120 12.500 -0.574 -0.574 1924 3HD2 LEU 120 1HD2 LEU 120 12.226 -1.029 -1.029 1925 HA PRO 121 HA PRO 121 10.476 6.581 6.581 1926 1HB PRO 121 2HB PRO 121 8.980 4.960 4.960 1927 2HB PRO 121 1HB PRO 121 9.725 6.553 6.553 1928 1HG PRO 121 2HG PRO 121 10.841 4.396 4.396 1929 2HG PRO 121 1HG PRO 121 11.838 5.668 5.668 1930 1HD PRO 121 2HD PRO 121 11.096 2.980 2.980 1931 2HD PRO 121 1HD PRO 121 12.637 3.857 3.857 1932 H ILE 122 HN ILE 122 8.433 7.302 7.302 1933 HA ILE 122 HA ILE 122 6.781 5.302 5.302 1934 HB ILE 122 HB ILE 122 6.839 8.311 8.311 1935 1HG1 ILE 122 2HG1 ILE 122 8.825 7.146 7.146 1936 2HG1 ILE 122 1HG1 ILE 122 7.850 7.873 7.873 1937 1HG2 ILE 122 1HG2 ILE 122 5.225 6.218 6.218 1938 2HG2 ILE 122 3HG2 ILE 122 5.392 7.891 7.891 1939 3HG2 ILE 122 2HG2 ILE 122 4.614 7.530 7.530 1940 1HD1 ILE 122 3HD1 ILE 122 6.805 5.368 5.368 1941 2HD1 ILE 122 2HD1 ILE 122 8.500 5.073 5.073 1942 3HD1 ILE 122 1HD1 ILE 122 8.067 5.887 5.887 1943 H GLU 123 HN GLU 123 4.451 5.506 5.506 1944 HA GLU 123 HA GLU 123 3.420 6.900 6.900 1945 1HB GLU 123 2HB GLU 123 3.562 3.979 3.979 1946 2HB GLU 123 1HB GLU 123 2.003 4.587 4.587 1947 1HG GLU 123 2HG GLU 123 3.788 5.900 5.900 1948 2HG GLU 123 1HG GLU 123 4.498 4.295 4.295 1949 H TYR 124 HN TYR 124 1.139 7.258 7.258 1950 HA TYR 124 HA TYR 124 -0.050 6.975 6.975 1951 1HB TYR 124 2HB TYR 124 -0.530 9.221 9.221 1952 2HB TYR 124 1HB TYR 124 -1.198 9.092 9.092 1953 HD1 TYR 124 2HD TYR 124 0.878 8.550 8.550 1954 HD2 TYR 124 1HD TYR 124 1.093 10.838 10.838 1955 HE1 TYR 124 2HE TYR 124 2.818 9.765 9.765 1956 HE2 TYR 124 1HE TYR 124 3.034 12.058 12.058 1957 HH TYR 124 HH TYR 124 3.929 11.989 11.989 1958 H ASN 125 HN ASN 125 -1.637 5.533 5.533 1959 HA ASN 125 HA ASN 125 -3.230 5.220 5.220 1960 1HB ASN 125 2HB ASN 125 -2.152 3.179 3.179 1961 2HB ASN 125 1HB ASN 125 -2.971 3.382 3.382 1962 1HD2 ASN 125 2HD2 ASN 125 -5.375 1.192 1.192 1963 2HD2 ASN 125 1HD2 ASN 125 -4.104 1.495 1.495 1964 H LEU 126 HN LEU 126 -4.502 7.103 7.103 1965 HA LEU 126 HA LEU 126 -6.010 7.460 7.460 1966 1HB LEU 126 2HB LEU 126 -6.409 8.539 8.539 1967 2HB LEU 126 1HB LEU 126 -7.348 9.049 9.049 1968 HG LEU 126 HG LEU 126 -4.358 9.278 9.278 1969 1HD1 LEU 126 2HD1 LEU 126 -6.205 10.742 10.742 1970 2HD1 LEU 126 1HD1 LEU 126 -5.273 11.791 11.791 1971 3HD1 LEU 126 3HD1 LEU 126 -4.442 10.684 10.684 1972 1HD2 LEU 126 1HD2 LEU 126 -5.762 9.570 9.570 1973 2HD2 LEU 126 3HD2 LEU 126 -4.750 10.952 10.952 1974 3HD2 LEU 126 2HD2 LEU 126 -6.478 10.983 10.983 Start of MODEL 9 1 1H ALA 1 2HN ALA 1 -43.258 6.152 6.152 2 2H ALA 1 1HN ALA 1 -44.810 6.882 6.882 3 3H ALA 1 3HN ALA 1 -43.496 7.573 7.573 4 HA ALA 1 HA ALA 1 -43.670 8.911 8.911 5 1HB ALA 1 2HB ALA 1 -44.506 6.414 6.414 6 2HB ALA 1 1HB ALA 1 -43.787 7.706 7.706 7 3HB ALA 1 3HB ALA 1 -45.243 8.017 8.017 8 H GLN 2 HN GLN 2 -42.289 5.991 5.991 9 HA GLN 2 HA GLN 2 -40.158 5.421 5.421 10 1HB GLN 2 2HB GLN 2 -39.860 6.318 6.318 11 2HB GLN 2 1HB GLN 2 -38.947 7.572 7.572 12 1HG GLN 2 2HG GLN 2 -37.627 5.732 5.732 13 2HG GLN 2 1HG GLN 2 -38.421 4.615 4.615 14 1HE2 GLN 2 2HE2 GLN 2 -35.101 5.935 5.935 15 2HE2 GLN 2 1HE2 GLN 2 -35.593 5.375 5.375 16 H SER 3 HN SER 3 -39.289 5.891 5.891 17 HA SER 3 HA SER 3 -39.653 8.428 8.428 18 1HB SER 3 2HB SER 3 -38.877 7.438 7.438 19 2HB SER 3 1HB SER 3 -39.364 6.002 6.002 20 HG SER 3 HG SER 3 -37.368 5.387 5.387 21 H VAL 4 HN VAL 4 -36.701 6.683 6.683 22 HA VAL 4 HA VAL 4 -35.443 8.879 8.879 23 HB VAL 4 HB VAL 4 -35.369 9.864 9.864 24 1HG1 VAL 4 2HG1 VAL 4 -34.718 7.168 7.168 25 2HG1 VAL 4 1HG1 VAL 4 -33.545 8.318 8.318 26 3HG1 VAL 4 3HG1 VAL 4 -35.262 8.526 8.526 27 1HG2 VAL 4 3HG2 VAL 4 -32.752 8.895 8.895 28 2HG2 VAL 4 2HG2 VAL 4 -33.517 10.472 10.472 29 3HG2 VAL 4 1HG2 VAL 4 -32.835 10.011 10.011 30 HA PRO 5 HA PRO 5 -32.936 5.393 5.393 31 1HB PRO 5 2HB PRO 5 -31.183 6.642 6.642 32 2HB PRO 5 1HB PRO 5 -32.877 6.431 6.431 33 1HG PRO 5 2HG PRO 5 -31.505 8.842 8.842 34 2HG PRO 5 1HG PRO 5 -32.691 8.741 8.741 35 1HD PRO 5 2HD PRO 5 -33.327 9.457 9.457 36 2HD PRO 5 1HD PRO 5 -34.469 8.688 8.688 37 HA PRO 6 HA PRO 6 -29.340 5.305 5.305 38 1HB PRO 6 2HB PRO 6 -27.607 3.784 3.784 39 2HB PRO 6 1HB PRO 6 -29.051 3.115 3.115 40 1HG PRO 6 2HG PRO 6 -28.614 3.888 3.888 41 2HG PRO 6 1HG PRO 6 -29.417 2.452 2.452 42 1HD PRO 6 2HD PRO 6 -30.786 4.605 4.605 43 2HD PRO 6 1HD PRO 6 -31.386 3.579 3.579 44 H GLY 7 HN GLY 7 -28.329 7.225 7.225 45 1HA GLY 7 2HA GLY 7 -27.184 8.761 8.761 46 2HA GLY 7 1HA GLY 7 -26.846 8.943 8.943 47 H ASP 8 HN ASP 8 -25.223 8.839 8.839 48 HA ASP 8 HA ASP 8 -23.533 6.680 6.680 49 1HB ASP 8 2HB ASP 8 -23.355 9.519 9.519 50 2HB ASP 8 1HB ASP 8 -21.800 8.727 8.727 51 H ILE 9 HN ILE 9 -21.445 6.238 6.238 52 HA ILE 9 HA ILE 9 -20.956 7.486 7.486 53 HB ILE 9 HB ILE 9 -20.028 5.388 5.388 54 1HG1 ILE 9 2HG1 ILE 9 -20.961 3.978 3.978 55 2HG1 ILE 9 1HG1 ILE 9 -19.367 4.725 4.725 56 1HG2 ILE 9 2HG2 ILE 9 -22.794 5.465 5.465 57 2HG2 ILE 9 1HG2 ILE 9 -22.203 3.950 3.950 58 3HG2 ILE 9 3HG2 ILE 9 -22.232 5.410 5.410 59 1HD1 ILE 9 3HD1 ILE 9 -19.813 3.119 3.119 60 2HD1 ILE 9 2HD1 ILE 9 -20.033 2.186 2.186 61 3HD1 ILE 9 1HD1 ILE 9 -18.518 3.042 3.042 62 H ASN 10 HN ASN 10 -18.824 7.900 7.900 63 HA ASN 10 HA ASN 10 -17.012 8.330 8.330 64 1HB ASN 10 2HB ASN 10 -17.315 9.335 9.335 65 2HB ASN 10 1HB ASN 10 -15.638 9.036 9.036 66 1HD2 ASN 10 2HD2 ASN 10 -17.552 12.268 12.268 67 2HD2 ASN 10 1HD2 ASN 10 -18.195 11.183 11.183 68 H THR 11 HN THR 11 -15.065 7.326 7.326 69 HA THR 11 HA THR 11 -14.331 5.154 5.154 70 HB THR 11 HB THR 11 -13.595 4.059 4.059 71 HG1 THR 11 1HG THR 11 -15.970 5.505 5.505 72 1HG2 THR 11 3HG2 THR 11 -16.339 3.850 3.850 73 2HG2 THR 11 2HG2 THR 11 -15.665 2.738 2.738 74 3HG2 THR 11 1HG2 THR 11 -14.925 2.874 2.874 75 H GLN 12 HN GLN 12 -12.185 4.860 4.860 76 HA GLN 12 HA GLN 12 -10.289 6.385 6.385 77 1HB GLN 12 2HB GLN 12 -10.168 6.342 6.342 78 2HB GLN 12 1HB GLN 12 -9.176 7.291 7.291 79 1HG GLN 12 2HG GLN 12 -11.406 8.356 8.356 80 2HG GLN 12 1HG GLN 12 -12.037 7.681 7.681 81 1HE2 GLN 12 2HE2 GLN 12 -9.714 9.701 9.701 82 2HE2 GLN 12 1HE2 GLN 12 -10.101 8.030 8.030 83 HA PRO 13 HA PRO 13 -8.572 5.968 5.968 84 1HB PRO 13 2HB PRO 13 -8.318 4.055 4.055 85 2HB PRO 13 1HB PRO 13 -6.976 4.655 4.655 86 1HG PRO 13 2HG PRO 13 -8.603 2.166 2.166 87 2HG PRO 13 1HG PRO 13 -6.850 2.390 2.390 88 1HD PRO 13 2HD PRO 13 -8.451 2.242 2.242 89 2HD PRO 13 1HD PRO 13 -7.040 3.320 3.320 90 H SER 14 HN SER 14 -9.701 6.303 6.303 91 HA SER 14 HA SER 14 -12.401 6.452 6.452 92 1HB SER 14 2HB SER 14 -10.609 6.227 6.227 93 2HB SER 14 1HB SER 14 -12.357 6.358 6.358 94 HG SER 14 HG SER 14 -10.639 8.193 8.193 95 H GLN 15 HN GLN 15 -10.905 4.008 4.008 96 HA GLN 15 HA GLN 15 -12.509 1.888 1.888 97 1HB GLN 15 2HB GLN 15 -13.619 1.496 1.496 98 2HB GLN 15 1HB GLN 15 -14.321 2.692 2.692 99 1HG GLN 15 2HG GLN 15 -14.144 4.219 4.219 100 2HG GLN 15 1HG GLN 15 -12.393 4.018 4.018 101 1HE2 GLN 15 2HE2 GLN 15 -12.471 2.927 2.927 102 2HE2 GLN 15 1HE2 GLN 15 -11.770 3.921 3.921 103 H LYS 16 HN LYS 16 -9.778 2.160 2.160 104 HA LYS 16 HA LYS 16 -9.194 -0.160 -0.160 105 1HB LYS 16 2HB LYS 16 -9.124 1.737 1.737 106 2HB LYS 16 1HB LYS 16 -7.792 2.415 2.415 107 1HG LYS 16 2HG LYS 16 -6.305 0.937 0.937 108 2HG LYS 16 1HG LYS 16 -7.462 -0.394 -0.394 109 1HD LYS 16 2HD LYS 16 -7.288 -0.142 -0.142 110 2HD LYS 16 1HD LYS 16 -8.530 1.077 1.077 111 1HE LYS 16 2HE LYS 16 -7.130 2.429 2.429 112 2HE LYS 16 1HE LYS 16 -6.289 2.532 2.532 113 1HZ LYS 16 2HZ LYS 16 -5.324 0.261 0.261 114 2HZ LYS 16 1HZ LYS 16 -5.392 1.425 1.425 115 3HZ LYS 16 3HZ LYS 16 -4.517 1.735 1.735 116 H ILE 17 HN ILE 17 -7.787 -1.323 -1.323 117 HA ILE 17 HA ILE 17 -5.752 0.057 0.057 118 HB ILE 17 HB ILE 17 -7.559 -0.724 -0.724 119 1HG1 ILE 17 2HG1 ILE 17 -5.201 -2.529 -2.529 120 2HG1 ILE 17 1HG1 ILE 17 -5.014 -0.779 -0.779 121 1HG2 ILE 17 2HG2 ILE 17 -8.217 -2.646 -2.646 122 2HG2 ILE 17 1HG2 ILE 17 -6.808 -3.512 -3.512 123 3HG2 ILE 17 3HG2 ILE 17 -8.096 -3.031 -3.031 124 1HD1 ILE 17 2HD1 ILE 17 -7.007 -2.335 -2.335 125 2HD1 ILE 17 1HD1 ILE 17 -5.394 -1.890 -1.890 126 3HD1 ILE 17 3HD1 ILE 17 -6.570 -0.635 -0.635 127 H VAL 18 HN VAL 18 -3.800 -1.115 -1.115 128 HA VAL 18 HA VAL 18 -3.473 -3.543 -3.543 129 HB VAL 18 HB VAL 18 -2.753 -1.731 -1.731 130 1HG1 VAL 18 2HG1 VAL 18 -2.187 -0.255 -0.255 131 2HG1 VAL 18 1HG1 VAL 18 -0.586 -0.980 -0.980 132 3HG1 VAL 18 3HG1 VAL 18 -1.262 -0.060 -0.060 133 1HG2 VAL 18 1HG2 VAL 18 -1.065 -3.865 -3.865 134 2HG2 VAL 18 3HG2 VAL 18 -1.236 -3.186 -3.186 135 3HG2 VAL 18 2HG2 VAL 18 -0.077 -2.488 -2.488 136 H PHE 19 HN PHE 19 -3.081 -4.915 -4.915 137 HA PHE 19 HA PHE 19 -1.723 -4.394 -4.394 138 1HB PHE 19 2HB PHE 19 -2.310 -6.866 -6.866 139 2HB PHE 19 1HB PHE 19 -1.147 -6.980 -6.980 140 HD1 PHE 19 1HD PHE 19 -4.644 -6.258 -6.258 141 HD2 PHE 19 2HD PHE 19 -1.839 -6.863 -6.863 142 HE1 PHE 19 1HE PHE 19 -6.496 -6.458 -6.458 143 HE2 PHE 19 2HE PHE 19 -3.684 -7.066 -7.066 144 HZ PHE 19 HZ PHE 19 -6.016 -6.863 -6.863 145 H ASN 20 HN ASN 20 0.270 -3.628 -3.628 146 HA ASN 20 HA ASN 20 2.287 -4.015 -4.015 147 1HB ASN 20 2HB ASN 20 2.109 -2.467 -2.467 148 2HB ASN 20 1HB ASN 20 3.685 -2.749 -2.749 149 1HD2 ASN 20 2HD2 ASN 20 0.960 -0.315 -0.315 150 2HD2 ASN 20 1HD2 ASN 20 0.453 -1.501 -1.501 151 H ALA 21 HN ALA 21 3.948 -5.404 -5.404 152 HA ALA 21 HA ALA 21 4.001 -7.716 -7.716 153 1HB ALA 21 3HB ALA 21 5.650 -6.471 -6.471 154 2HB ALA 21 2HB ALA 21 6.694 -7.053 -7.053 155 3HB ALA 21 1HB ALA 21 5.605 -8.169 -8.169 156 HA PRO 22 HA PRO 22 6.315 -8.925 -8.925 157 1HB PRO 22 2HB PRO 22 6.898 -10.545 -10.545 158 2HB PRO 22 1HB PRO 22 8.044 -9.331 -9.331 159 1HG PRO 22 2HG PRO 22 6.206 -9.222 -9.222 160 2HG PRO 22 1HG PRO 22 7.901 -8.715 -8.715 161 1HD PRO 22 2HD PRO 22 5.791 -6.984 -6.984 162 2HD PRO 22 1HD PRO 22 7.355 -6.690 -6.690 163 H TYR 23 HN TYR 23 5.439 -11.118 -11.118 164 HA TYR 23 HA TYR 23 2.724 -11.206 -11.206 165 1HB TYR 23 2HB TYR 23 3.708 -12.483 -12.483 166 2HB TYR 23 1HB TYR 23 2.061 -12.548 -12.548 167 HD1 TYR 23 2HD TYR 23 1.955 -9.655 -9.655 168 HD2 TYR 23 1HD TYR 23 3.238 -11.405 -11.405 169 HE1 TYR 23 2HE TYR 23 1.425 -7.567 -7.567 170 HE2 TYR 23 1HE TYR 23 2.712 -9.318 -9.318 171 HH TYR 23 HH TYR 23 2.548 -6.638 -6.638 172 H ASP 24 HN ASP 24 5.155 -12.134 -12.134 173 HA ASP 24 HA ASP 24 4.782 -15.045 -15.045 174 1HB ASP 24 2HB ASP 24 7.093 -13.553 -13.553 175 2HB ASP 24 1HB ASP 24 6.960 -13.995 -13.995 176 H ASP 25 HN ASP 25 3.416 -12.581 -12.581 177 HA ASP 25 HA ASP 25 2.911 -14.189 -14.189 178 1HB ASP 25 2HB ASP 25 3.774 -11.313 -11.313 179 2HB ASP 25 1HB ASP 25 3.480 -12.496 -12.496 180 H LYS 26 HN LYS 26 1.350 -12.719 -12.719 181 HA LYS 26 HA LYS 26 -0.847 -12.003 -12.003 182 1HB LYS 26 2HB LYS 26 -1.010 -12.257 -12.257 183 2HB LYS 26 1HB LYS 26 -2.311 -12.376 -12.376 184 1HG LYS 26 2HG LYS 26 -1.290 -14.465 -14.465 185 2HG LYS 26 1HG LYS 26 -0.094 -14.362 -14.362 186 1HD LYS 26 2HD LYS 26 -2.938 -14.176 -14.176 187 2HD LYS 26 1HD LYS 26 -2.375 -15.748 -15.748 188 1HE LYS 26 2HE LYS 26 -1.910 -15.929 -15.929 189 2HE LYS 26 1HE LYS 26 -0.384 -15.276 -15.276 190 1HZ LYS 26 2HZ LYS 26 -1.861 -13.060 -13.060 191 2HZ LYS 26 1HZ LYS 26 -2.301 -14.106 -14.106 192 3HZ LYS 26 3HZ LYS 26 -0.673 -13.713 -13.713 193 H HIS 27 HN HIS 27 -0.857 -9.929 -9.929 194 HA HIS 27 HA HIS 27 -0.258 -7.899 -7.899 195 1HB HIS 27 2HB HIS 27 -0.023 -7.784 -7.784 196 2HB HIS 27 1HB HIS 27 0.147 -6.377 -6.377 197 HD1 HIS 27 1HD HIS 27 1.912 -7.656 -7.656 198 HD2 HIS 27 2HD HIS 27 2.536 -8.100 -8.100 199 HE1 HIS 27 1HE HIS 27 4.355 -8.245 -8.245 200 H THR 28 HN THR 28 -1.778 -6.455 -6.455 201 HA THR 28 HA THR 28 -4.359 -6.608 -6.608 202 HB THR 28 HB THR 28 -3.724 -5.725 -5.725 203 HG1 THR 28 1HG THR 28 -3.846 -7.788 -7.788 204 1HG2 THR 28 3HG2 THR 28 -6.074 -5.277 -5.277 205 2HG2 THR 28 2HG2 THR 28 -6.435 -6.283 -6.283 206 3HG2 THR 28 1HG2 THR 28 -5.684 -4.702 -4.702 207 H TYR 29 HN TYR 29 -5.279 -4.837 -4.837 208 HA TYR 29 HA TYR 29 -3.837 -2.285 -2.285 209 1HB TYR 29 2HB TYR 29 -5.236 -3.464 -3.464 210 2HB TYR 29 1HB TYR 29 -4.778 -1.767 -1.767 211 HD1 TYR 29 1HD TYR 29 -3.150 -5.067 -5.067 212 HD2 TYR 29 2HD TYR 29 -2.843 -1.231 -1.231 213 HE1 TYR 29 1HE TYR 29 -0.897 -5.635 -5.635 214 HE2 TYR 29 2HE TYR 29 -0.590 -1.789 -1.789 215 HH TYR 29 HH TYR 29 1.229 -4.232 -4.232 216 H HIS 30 HN HIS 30 -4.945 -0.735 -0.735 217 HA HIS 30 HA HIS 30 -7.677 -1.057 -1.057 218 1HB HIS 30 2HB HIS 30 -5.548 0.935 0.935 219 2HB HIS 30 1HB HIS 30 -7.197 1.548 1.548 220 HD1 HIS 30 1HD HIS 30 -4.822 -0.755 -0.755 221 HD2 HIS 30 2HD HIS 30 -8.711 0.658 0.658 222 HE1 HIS 30 1HE HIS 30 -5.598 -1.411 -1.411 223 H ILE 31 HN ILE 31 -9.463 0.220 0.220 224 HA ILE 31 HA ILE 31 -9.211 1.765 1.765 225 HB ILE 31 HB ILE 31 -11.528 -0.094 -0.094 226 1HG1 ILE 31 2HG1 ILE 31 -9.064 -0.606 -0.606 227 2HG1 ILE 31 1HG1 ILE 31 -9.479 -1.437 -1.437 228 1HG2 ILE 31 3HG2 ILE 31 -10.658 1.701 1.701 229 2HG2 ILE 31 2HG2 ILE 31 -11.506 0.211 0.211 230 3HG2 ILE 31 1HG2 ILE 31 -12.273 1.394 1.394 231 1HD1 ILE 31 2HD1 ILE 31 -11.466 -1.498 -1.498 232 2HD1 ILE 31 1HD1 ILE 31 -10.001 -2.460 -2.460 233 3HD1 ILE 31 3HD1 ILE 31 -11.058 -2.724 -2.724 234 H LYS 32 HN LYS 32 -10.868 3.351 3.351 235 HA LYS 32 HA LYS 32 -12.238 4.090 4.090 236 1HB LYS 32 2HB LYS 32 -10.297 5.536 5.536 237 2HB LYS 32 1HB LYS 32 -11.736 6.220 6.220 238 1HG LYS 32 2HG LYS 32 -12.192 7.401 7.401 239 2HG LYS 32 1HG LYS 32 -12.089 5.968 5.968 240 1HD LYS 32 2HD LYS 32 -9.936 6.381 6.381 241 2HD LYS 32 1HD LYS 32 -9.530 7.092 7.092 242 1HE LYS 32 2HE LYS 32 -10.561 9.157 9.157 243 2HE LYS 32 1HE LYS 32 -11.278 8.460 8.460 244 1HZ LYS 32 3HZ LYS 32 -8.932 8.081 8.081 245 2HZ LYS 32 2HZ LYS 32 -8.421 9.059 9.059 246 3HZ LYS 32 1HZ LYS 32 -9.421 9.699 9.699 247 H ILE 33 HN ILE 33 -14.363 4.514 4.514 248 HA ILE 33 HA ILE 33 -15.728 4.943 4.943 249 HB ILE 33 HB ILE 33 -16.572 2.759 2.759 250 1HG1 ILE 33 2HG1 ILE 33 -15.522 2.510 2.510 251 2HG1 ILE 33 1HG1 ILE 33 -14.557 2.215 2.215 252 1HG2 ILE 33 3HG2 ILE 33 -17.764 3.823 3.823 253 2HG2 ILE 33 2HG2 ILE 33 -18.185 2.245 2.245 254 3HG2 ILE 33 1HG2 ILE 33 -18.511 3.711 3.711 255 1HD1 ILE 33 2HD1 ILE 33 -16.496 0.544 0.544 256 2HD1 ILE 33 1HD1 ILE 33 -16.749 0.599 0.599 257 3HD1 ILE 33 3HD1 ILE 33 -15.189 0.092 0.092 258 H THR 34 HN THR 34 -17.050 6.622 6.622 259 HA THR 34 HA THR 34 -18.195 7.104 7.104 260 HB THR 34 HB THR 34 -17.328 9.095 9.095 261 HG1 THR 34 1HG THR 34 -15.669 8.280 8.280 262 1HG2 THR 34 1HG2 THR 34 -19.385 9.871 9.871 263 2HG2 THR 34 3HG2 THR 34 -18.599 9.681 9.681 264 3HG2 THR 34 2HG2 THR 34 -17.982 10.858 10.858 265 H ASN 35 HN ASN 35 -20.303 8.013 8.013 266 HA ASN 35 HA ASN 35 -21.980 7.162 7.162 267 1HB ASN 35 2HB ASN 35 -22.640 6.318 6.318 268 2HB ASN 35 1HB ASN 35 -22.655 7.942 7.942 269 1HD2 ASN 35 2HD2 ASN 35 -25.546 7.327 7.327 270 2HD2 ASN 35 1HD2 ASN 35 -23.890 6.974 6.974 271 H ALA 36 HN ALA 36 -21.409 8.931 8.931 272 HA ALA 36 HA ALA 36 -21.791 11.637 11.637 273 1HB ALA 36 2HB ALA 36 -20.472 10.799 10.799 274 2HB ALA 36 1HB ALA 36 -21.992 10.428 10.428 275 3HB ALA 36 3HB ALA 36 -21.597 12.097 12.097 276 H GLY 37 HN GLY 37 -24.058 9.154 9.154 277 1HA GLY 37 2HA GLY 37 -26.158 10.541 10.541 278 2HA GLY 37 1HA GLY 37 -26.345 9.153 9.153 279 H GLY 38 HN GLY 38 -28.269 10.072 10.072 280 1HA GLY 38 2HA GLY 38 -27.796 12.383 12.383 281 2HA GLY 38 1HA GLY 38 -29.340 12.046 12.046 282 H ARG 39 HN ARG 39 -28.751 9.084 9.084 283 HA ARG 39 HA ARG 39 -29.319 9.149 9.149 284 1HB ARG 39 2HB ARG 39 -30.987 8.034 8.034 285 2HB ARG 39 1HB ARG 39 -30.887 7.100 7.100 286 1HG ARG 39 2HG ARG 39 -31.594 9.144 9.144 287 2HG ARG 39 1HG ARG 39 -31.861 9.929 9.929 288 1HD ARG 39 2HD ARG 39 -33.961 9.092 9.092 289 2HD ARG 39 1HD ARG 39 -33.415 8.052 8.052 290 HE ARG 39 HE ARG 39 -33.428 6.310 6.310 291 1HH1 ARG 39 1HH2 ARG 39 -33.176 9.270 9.270 292 2HH1 ARG 39 2HH2 ARG 39 -33.275 8.487 8.487 293 1HH2 ARG 39 1HH1 ARG 39 -33.558 5.266 5.266 294 2HH2 ARG 39 2HH1 ARG 39 -33.492 6.209 6.209 295 H ARG 40 HN ARG 40 -29.170 6.917 6.917 296 HA ARG 40 HA ARG 40 -26.651 5.852 5.852 297 1HB ARG 40 2HB ARG 40 -29.074 4.273 4.273 298 2HB ARG 40 1HB ARG 40 -27.399 3.979 3.979 299 1HG ARG 40 2HG ARG 40 -27.566 6.423 6.423 300 2HG ARG 40 1HG ARG 40 -29.291 6.051 6.051 301 1HD ARG 40 2HD ARG 40 -28.516 5.415 5.415 302 2HD ARG 40 1HD ARG 40 -28.634 3.905 3.905 303 HE ARG 40 HE ARG 40 -26.033 5.005 5.005 304 1HH1 ARG 40 1HH2 ARG 40 -28.130 3.332 3.332 305 2HH1 ARG 40 2HH2 ARG 40 -26.832 2.584 2.584 306 1HH2 ARG 40 1HH1 ARG 40 -24.314 4.029 4.029 307 2HH2 ARG 40 2HH1 ARG 40 -24.660 2.982 2.982 308 H ILE 41 HN ILE 41 -26.048 3.616 3.616 309 HA ILE 41 HA ILE 41 -27.627 2.446 2.446 310 HB ILE 41 HB ILE 41 -25.820 2.596 2.596 311 1HG1 ILE 41 2HG1 ILE 41 -24.648 4.642 4.642 312 2HG1 ILE 41 1HG1 ILE 41 -23.963 3.057 3.057 313 1HG2 ILE 41 2HG2 ILE 41 -27.821 4.216 4.216 314 2HG2 ILE 41 1HG2 ILE 41 -26.588 5.387 5.387 315 3HG2 ILE 41 3HG2 ILE 41 -26.520 4.626 4.626 316 1HD1 ILE 41 3HD1 ILE 41 -24.434 5.037 5.037 317 2HD1 ILE 41 2HD1 ILE 41 -22.979 5.091 5.091 318 3HD1 ILE 41 1HD1 ILE 41 -23.338 3.656 3.656 319 H GLY 42 HN GLY 42 -27.292 0.314 0.314 320 1HA GLY 42 2HA GLY 42 -25.137 -0.828 -0.828 321 2HA GLY 42 1HA GLY 42 -26.537 -1.694 -1.694 322 H TRP 43 HN TRP 43 -23.258 -1.079 -1.079 323 HA TRP 43 HA TRP 43 -23.309 -1.812 -1.812 324 1HB TRP 43 2HB TRP 43 -20.882 -1.242 -1.242 325 2HB TRP 43 1HB TRP 43 -21.935 0.097 0.097 326 HD1 TRP 43 1HD TRP 43 -21.812 0.987 0.987 327 HE1 TRP 43 1HE TRP 43 -20.100 0.631 0.631 328 HE3 TRP 43 3HE TRP 43 -19.286 -3.012 -3.012 329 HZ2 TRP 43 2HZ TRP 43 -17.962 -1.115 -1.115 330 HZ3 TRP 43 3HZ TRP 43 -17.419 -3.965 -3.965 331 HH2 TRP 43 2HH TRP 43 -16.772 -3.035 -3.035 332 H ALA 44 HN ALA 44 -21.811 -3.394 -3.394 333 HA ALA 44 HA ALA 44 -20.890 -5.417 -5.417 334 1HB ALA 44 3HB ALA 44 -23.294 -5.734 -5.734 335 2HB ALA 44 2HB ALA 44 -22.128 -6.707 -6.707 336 3HB ALA 44 1HB ALA 44 -22.370 -6.989 -6.989 337 H ILE 45 HN ILE 45 -19.326 -6.874 -6.874 338 HA ILE 45 HA ILE 45 -18.068 -5.795 -5.795 339 HB ILE 45 HB ILE 45 -16.624 -7.208 -7.208 340 1HG1 ILE 45 2HG1 ILE 45 -17.608 -5.097 -5.097 341 2HG1 ILE 45 1HG1 ILE 45 -15.851 -5.006 -5.006 342 1HG2 ILE 45 1HG2 ILE 45 -15.895 -6.222 -6.222 343 2HG2 ILE 45 3HG2 ILE 45 -14.862 -5.580 -5.580 344 3HG2 ILE 45 2HG2 ILE 45 -15.034 -7.324 -7.324 345 1HD1 ILE 45 2HD1 ILE 45 -16.174 -3.897 -3.897 346 2HD1 ILE 45 1HD1 ILE 45 -17.870 -3.732 -3.732 347 3HD1 ILE 45 3HD1 ILE 45 -16.620 -2.963 -2.963 348 H LYS 46 HN LYS 46 -17.666 -7.138 -7.138 349 HA LYS 46 HA LYS 46 -17.983 -10.029 -10.029 350 1HB LYS 46 2HB LYS 46 -19.189 -8.245 -8.245 351 2HB LYS 46 1HB LYS 46 -18.632 -9.810 -9.810 352 1HG LYS 46 2HG LYS 46 -20.466 -9.491 -9.491 353 2HG LYS 46 1HG LYS 46 -21.044 -9.683 -9.683 354 1HD LYS 46 2HD LYS 46 -19.083 -11.686 -11.686 355 2HD LYS 46 1HD LYS 46 -20.275 -11.696 -11.696 356 1HE LYS 46 2HE LYS 46 -21.766 -11.426 -11.426 357 2HE LYS 46 1HE LYS 46 -20.516 -12.603 -12.603 358 1HZ LYS 46 2HZ LYS 46 -21.525 -13.219 -13.219 359 2HZ LYS 46 1HZ LYS 46 -22.844 -12.993 -12.993 360 3HZ LYS 46 3HZ LYS 46 -21.648 -14.125 -14.125 361 H THR 47 HN THR 47 -16.690 -11.427 -11.427 362 HA THR 47 HA THR 47 -14.571 -10.211 -10.211 363 HB THR 47 HB THR 47 -12.801 -11.357 -11.357 364 HG1 THR 47 1HG THR 47 -14.702 -12.279 -12.279 365 1HG2 THR 47 2HG2 THR 47 -13.919 -9.185 -9.185 366 2HG2 THR 47 1HG2 THR 47 -14.273 -10.288 -10.288 367 3HG2 THR 47 3HG2 THR 47 -12.605 -10.028 -10.028 368 H THR 48 HN THR 48 -13.494 -11.689 -11.689 369 HA THR 48 HA THR 48 -15.173 -13.591 -13.591 370 HB THR 48 HB THR 48 -12.830 -14.346 -14.346 371 HG1 THR 48 1HG THR 48 -11.248 -13.208 -13.208 372 1HG2 THR 48 1HG2 THR 48 -14.543 -12.027 -12.027 373 2HG2 THR 48 3HG2 THR 48 -12.931 -12.007 -12.007 374 3HG2 THR 48 2HG2 THR 48 -14.023 -13.354 -13.354 375 H ASN 49 HN ASN 49 -12.470 -13.962 -13.962 376 HA ASN 49 HA ASN 49 -13.373 -16.713 -16.713 377 1HB ASN 49 2HB ASN 49 -10.560 -15.748 -15.748 378 2HB ASN 49 1HB ASN 49 -10.893 -17.240 -17.240 379 1HD2 ASN 49 2HD2 ASN 49 -10.494 -17.562 -17.562 380 2HD2 ASN 49 1HD2 ASN 49 -9.701 -16.492 -16.492 381 H MET 50 HN MET 50 -14.065 -16.814 -16.814 382 HA MET 50 HA MET 50 -12.978 -14.986 -14.986 383 1HB MET 50 2HB MET 50 -15.473 -16.553 -16.553 384 2HB MET 50 1HB MET 50 -14.882 -16.351 -16.351 385 1HG MET 50 2HG MET 50 -14.712 -13.822 -13.822 386 2HG MET 50 1HG MET 50 -16.261 -14.489 -14.489 387 1HE MET 50 1HE MET 50 -13.981 -13.242 -13.242 388 2HE MET 50 3HE MET 50 -15.200 -12.079 -12.079 389 3HE MET 50 2HE MET 50 -14.711 -13.387 -13.387 390 H ARG 51 HN ARG 51 -11.604 -17.482 -17.482 391 HA ARG 51 HA ARG 51 -11.378 -19.056 -19.056 392 1HB ARG 51 2HB ARG 51 -10.027 -20.605 -20.605 393 2HB ARG 51 1HB ARG 51 -11.667 -20.368 -20.368 394 1HG ARG 51 2HG ARG 51 -10.961 -19.068 -19.068 395 2HG ARG 51 1HG ARG 51 -9.377 -18.771 -18.771 396 1HD ARG 51 2HD ARG 51 -8.723 -20.393 -20.393 397 2HD ARG 51 1HD ARG 51 -9.330 -21.458 -21.458 398 HE ARG 51 HE ARG 51 -11.495 -20.953 -20.953 399 1HH1 ARG 51 1HH2 ARG 51 -8.304 -22.263 -22.263 400 2HH1 ARG 51 2HH2 ARG 51 -8.778 -23.288 -23.288 401 1HH2 ARG 51 1HH1 ARG 51 -12.130 -22.297 -22.297 402 2HH2 ARG 51 2HH1 ARG 51 -10.954 -23.307 -23.307 403 H ARG 52 HN ARG 52 -9.582 -16.873 -16.873 404 HA ARG 52 HA ARG 52 -7.285 -17.084 -17.084 405 1HB ARG 52 2HB ARG 52 -6.095 -15.883 -15.883 406 2HB ARG 52 1HB ARG 52 -6.393 -17.613 -17.613 407 1HG ARG 52 2HG ARG 52 -8.426 -17.153 -17.153 408 2HG ARG 52 1HG ARG 52 -8.000 -15.440 -15.440 409 1HD ARG 52 2HD ARG 52 -5.674 -16.596 -16.596 410 2HD ARG 52 1HD ARG 52 -6.882 -17.655 -17.655 411 HE ARG 52 HE ARG 52 -7.384 -14.849 -14.849 412 1HH1 ARG 52 1HH2 ARG 52 -5.766 -17.689 -17.689 413 2HH1 ARG 52 2HH2 ARG 52 -5.675 -17.107 -17.107 414 1HH2 ARG 52 1HH1 ARG 52 -7.269 -14.072 -14.072 415 2HH2 ARG 52 2HH1 ARG 52 -6.529 -15.048 -15.048 416 H LEU 53 HN LEU 53 -9.769 -15.036 -15.036 417 HA LEU 53 HA LEU 53 -8.444 -12.668 -12.668 418 1HB LEU 53 2HB LEU 53 -10.924 -12.620 -12.620 419 2HB LEU 53 1HB LEU 53 -9.805 -11.312 -11.312 420 HG LEU 53 HG LEU 53 -9.041 -13.744 -13.744 421 1HD1 LEU 53 2HD1 LEU 53 -10.964 -12.389 -12.389 422 2HD1 LEU 53 1HD1 LEU 53 -9.802 -11.074 -11.074 423 3HD1 LEU 53 3HD1 LEU 53 -9.542 -12.602 -12.602 424 1HD2 LEU 53 1HD2 LEU 53 -7.235 -12.393 -12.393 425 2HD2 LEU 53 3HD2 LEU 53 -7.184 -12.406 -12.406 426 3HD2 LEU 53 2HD2 LEU 53 -7.811 -10.995 -10.995 427 H SER 54 HN SER 54 -9.252 -11.703 -11.703 428 HA SER 54 HA SER 54 -11.982 -12.308 -12.308 429 1HB SER 54 2HB SER 54 -9.942 -12.375 -12.375 430 2HB SER 54 1HB SER 54 -11.446 -13.282 -13.282 431 HG SER 54 HG SER 54 -10.394 -14.578 -14.578 432 H VAL 55 HN VAL 55 -12.850 -10.340 -10.340 433 HA VAL 55 HA VAL 55 -11.289 -8.096 -8.096 434 HB VAL 55 HB VAL 55 -13.362 -6.794 -6.794 435 1HG1 VAL 55 1HG1 VAL 55 -11.025 -7.883 -7.883 436 2HG1 VAL 55 3HG1 VAL 55 -12.298 -7.236 -7.236 437 3HG1 VAL 55 2HG1 VAL 55 -11.556 -6.214 -6.214 438 1HG2 VAL 55 1HG2 VAL 55 -14.499 -9.115 -9.115 439 2HG2 VAL 55 3HG2 VAL 55 -14.758 -7.778 -7.778 440 3HG2 VAL 55 2HG2 VAL 55 -13.601 -9.050 -9.050 441 H ASP 56 HN ASP 56 -11.700 -7.273 -7.273 442 HA ASP 56 HA ASP 56 -14.318 -7.798 -7.798 443 1HB ASP 56 2HB ASP 56 -11.589 -8.290 -8.290 444 2HB ASP 56 1HB ASP 56 -12.937 -7.911 -7.911 445 HA PRO 57 HA PRO 57 -15.671 -7.070 -7.070 446 1HB PRO 57 2HB PRO 57 -17.427 -4.793 -4.793 447 2HB PRO 57 1HB PRO 57 -17.179 -5.719 -5.719 448 1HG PRO 57 2HG PRO 57 -16.351 -3.152 -3.152 449 2HG PRO 57 1HG PRO 57 -15.517 -4.326 -4.326 450 1HD PRO 57 2HD PRO 57 -14.813 -3.392 -3.392 451 2HD PRO 57 1HD PRO 57 -13.752 -3.689 -3.689 452 HA PRO 58 HA PRO 58 -16.717 -7.898 -7.898 453 1HB PRO 58 2HB PRO 58 -18.875 -9.516 -9.516 454 2HB PRO 58 1HB PRO 58 -17.203 -10.054 -10.054 455 1HG PRO 58 2HG PRO 58 -19.162 -9.172 -9.172 456 2HG PRO 58 1HG PRO 58 -18.020 -10.529 -10.529 457 1HD PRO 58 2HD PRO 58 -17.524 -8.200 -8.200 458 2HD PRO 58 1HD PRO 58 -16.229 -9.172 -9.172 459 H CYS 59 HN CYS 59 -19.148 -6.808 -6.808 460 HA CYS 59 HA CYS 59 -20.341 -5.139 -5.139 461 1HB CYS 59 2HB CYS 59 -22.649 -5.833 -5.833 462 2HB CYS 59 1HB CYS 59 -21.806 -6.987 -6.987 463 HG CYS 59 HG CYS 59 -21.125 -8.029 -8.029 464 H GLY 60 HN GLY 60 -22.299 -3.894 -3.894 465 1HA GLY 60 2HA GLY 60 -22.293 -3.339 -3.339 466 2HA GLY 60 1HA GLY 60 -20.952 -2.391 -2.391 467 H VAL 61 HN VAL 61 -22.440 -0.700 -0.700 468 HA VAL 61 HA VAL 61 -23.949 0.490 0.490 469 HB VAL 61 HB VAL 61 -25.641 -0.793 -0.793 470 1HG1 VAL 61 2HG1 VAL 61 -24.210 -0.120 -0.120 471 2HG1 VAL 61 1HG1 VAL 61 -25.580 0.985 0.985 472 3HG1 VAL 61 3HG1 VAL 61 -25.856 -0.754 -0.754 473 1HG2 VAL 61 1HG2 VAL 61 -25.724 1.916 1.916 474 2HG2 VAL 61 3HG2 VAL 61 -27.081 0.802 0.802 475 3HG2 VAL 61 2HG2 VAL 61 -26.576 1.797 1.797 476 H LEU 62 HN LEU 62 -23.556 2.620 2.620 477 HA LEU 62 HA LEU 62 -22.569 3.966 3.966 478 1HB LEU 62 2HB LEU 62 -20.985 5.207 5.207 479 2HB LEU 62 1HB LEU 62 -20.746 3.498 3.498 480 HG LEU 62 HG LEU 62 -22.500 4.965 4.965 481 1HD1 LEU 62 2HD1 LEU 62 -19.603 5.520 5.520 482 2HD1 LEU 62 1HD1 LEU 62 -20.248 5.464 5.464 483 3HD1 LEU 62 3HD1 LEU 62 -20.908 6.608 6.608 484 1HD2 LEU 62 1HD2 LEU 62 -21.003 2.506 2.506 485 2HD2 LEU 62 3HD2 LEU 62 -22.262 2.995 2.995 486 3HD2 LEU 62 2HD2 LEU 62 -20.581 3.424 3.424 487 H ASP 63 HN ASP 63 -22.988 6.221 6.221 488 HA ASP 63 HA ASP 63 -25.501 6.967 6.967 489 1HB ASP 63 2HB ASP 63 -25.327 8.929 8.929 490 2HB ASP 63 1HB ASP 63 -25.485 7.332 7.332 491 HA PRO 64 HA PRO 64 -24.038 9.975 9.975 492 1HB PRO 64 2HB PRO 64 -25.553 12.139 12.139 493 2HB PRO 64 1HB PRO 64 -25.692 11.519 11.519 494 1HG PRO 64 2HG PRO 64 -27.563 10.992 10.992 495 2HG PRO 64 1HG PRO 64 -27.086 9.780 9.780 496 1HD PRO 64 2HD PRO 64 -26.313 9.996 9.996 497 2HD PRO 64 1HD PRO 64 -26.726 8.553 8.553 498 H LYS 65 HN LYS 65 -22.202 11.099 11.099 499 HA LYS 65 HA LYS 65 -20.504 12.559 12.559 500 1HB LYS 65 2HB LYS 65 -22.360 13.958 13.958 501 2HB LYS 65 1HB LYS 65 -21.825 13.291 13.291 502 1HG LYS 65 2HG LYS 65 -19.769 14.376 14.376 503 2HG LYS 65 1HG LYS 65 -19.899 14.655 14.655 504 1HD LYS 65 2HD LYS 65 -22.028 16.036 16.036 505 2HD LYS 65 1HD LYS 65 -21.137 16.134 16.134 506 1HE LYS 65 2HE LYS 65 -19.996 16.889 16.889 507 2HE LYS 65 1HE LYS 65 -20.725 18.037 18.037 508 1HZ LYS 65 1HZ LYS 65 -18.354 16.337 16.337 509 2HZ LYS 65 3HZ LYS 65 -18.323 17.995 17.995 510 3HZ LYS 65 2HZ LYS 65 -19.053 17.437 17.437 511 H GLU 66 HN GLU 66 -21.020 9.752 9.752 512 HA GLU 66 HA GLU 66 -18.838 9.985 9.985 513 1HB GLU 66 2HB GLU 66 -20.375 8.959 8.959 514 2HB GLU 66 1HB GLU 66 -21.330 8.435 8.435 515 1HG GLU 66 2HG GLU 66 -20.646 6.487 6.487 516 2HG GLU 66 1HG GLU 66 -19.646 6.596 6.596 517 H LYS 67 HN LYS 67 -17.046 8.673 8.673 518 HA LYS 67 HA LYS 67 -16.625 7.445 7.445 519 1HB LYS 67 2HB LYS 67 -14.567 8.019 8.019 520 2HB LYS 67 1HB LYS 67 -14.273 7.629 7.629 521 1HG LYS 67 2HG LYS 67 -15.086 9.727 9.727 522 2HG LYS 67 1HG LYS 67 -15.754 10.094 10.094 523 1HD LYS 67 2HD LYS 67 -13.085 9.608 9.608 524 2HD LYS 67 1HD LYS 67 -13.057 10.472 10.472 525 1HE LYS 67 2HE LYS 67 -13.252 12.351 12.351 526 2HE LYS 67 1HE LYS 67 -14.910 11.860 11.860 527 1HZ LYS 67 2HZ LYS 67 -13.883 10.573 10.573 528 2HZ LYS 67 1HZ LYS 67 -12.512 11.532 11.532 529 3HZ LYS 67 3HZ LYS 67 -13.992 12.254 12.254 530 H VAL 68 HN VAL 68 -15.380 5.450 5.450 531 HA VAL 68 HA VAL 68 -15.706 3.690 3.690 532 HB VAL 68 HB VAL 68 -16.452 2.890 2.890 533 1HG1 VAL 68 1HG1 VAL 68 -16.131 1.435 1.435 534 2HG1 VAL 68 3HG1 VAL 68 -17.543 1.019 1.019 535 3HG1 VAL 68 2HG1 VAL 68 -15.927 0.878 0.878 536 1HG2 VAL 68 3HG2 VAL 68 -17.979 4.537 4.537 537 2HG2 VAL 68 2HG2 VAL 68 -18.694 3.132 3.132 538 3HG2 VAL 68 1HG2 VAL 68 -18.401 3.111 3.111 539 H LEU 69 HN LEU 69 -14.133 2.147 2.147 540 HA LEU 69 HA LEU 69 -11.941 2.193 2.193 541 1HB LEU 69 2HB LEU 69 -11.889 2.069 2.069 542 2HB LEU 69 1HB LEU 69 -10.528 1.512 1.512 543 HG LEU 69 HG LEU 69 -11.651 4.296 4.296 544 1HD1 LEU 69 3HD1 LEU 69 -10.610 3.420 3.420 545 2HD1 LEU 69 2HD1 LEU 69 -9.126 3.855 3.855 546 3HD1 LEU 69 1HD1 LEU 69 -10.388 5.063 5.063 547 1HD2 LEU 69 1HD2 LEU 69 -10.200 3.230 3.230 548 2HD2 LEU 69 3HD2 LEU 69 -9.700 4.801 4.801 549 3HD2 LEU 69 2HD2 LEU 69 -8.883 3.334 3.334 550 H MET 70 HN MET 70 -11.689 0.345 0.345 551 HA MET 70 HA MET 70 -12.527 -2.153 -2.153 552 1HB MET 70 2HB MET 70 -12.203 -1.827 -1.827 553 2HB MET 70 1HB MET 70 -13.121 -3.043 -3.043 554 1HG MET 70 2HG MET 70 -14.648 -1.197 -1.197 555 2HG MET 70 1HG MET 70 -13.805 -0.142 -0.142 556 1HE MET 70 2HE MET 70 -13.290 -1.186 -1.186 557 2HE MET 70 1HE MET 70 -13.370 -2.919 -2.919 558 3HE MET 70 3HE MET 70 -14.455 -2.189 -2.189 559 H ALA 71 HN ALA 71 -11.288 -4.074 -4.074 560 HA ALA 71 HA ALA 71 -8.486 -3.496 -3.496 561 1HB ALA 71 1HB ALA 71 -8.652 -3.757 -3.757 562 2HB ALA 71 3HB ALA 71 -9.447 -5.318 -5.318 563 3HB ALA 71 2HB ALA 71 -7.769 -5.109 -5.109 564 H VAL 72 HN VAL 72 -8.351 -4.372 -4.372 565 HA VAL 72 HA VAL 72 -9.587 -6.940 -6.940 566 HB VAL 72 HB VAL 72 -9.715 -5.222 -5.222 567 1HG1 VAL 72 3HG1 VAL 72 -7.065 -4.682 -4.682 568 2HG1 VAL 72 2HG1 VAL 72 -7.002 -5.225 -5.225 569 3HG1 VAL 72 1HG1 VAL 72 -8.027 -3.862 -3.862 570 1HG2 VAL 72 1HG2 VAL 72 -8.023 -7.623 -7.623 571 2HG2 VAL 72 3HG2 VAL 72 -9.755 -7.399 -7.399 572 3HG2 VAL 72 2HG2 VAL 72 -8.596 -6.518 -6.518 573 H SER 73 HN SER 73 -8.544 -8.699 -8.699 574 HA SER 73 HA SER 73 -5.636 -8.716 -8.716 575 1HB SER 73 2HB SER 73 -7.640 -10.815 -10.815 576 2HB SER 73 1HB SER 73 -5.909 -10.843 -10.843 577 HG SER 73 HG SER 73 -7.916 -9.239 -9.239 578 H CYS 74 HN CYS 74 -4.340 -9.704 -9.704 579 HA CYS 74 HA CYS 74 -5.575 -11.431 -11.431 580 1HB CYS 74 2HB CYS 74 -4.744 -9.385 -9.385 581 2HB CYS 74 1HB CYS 74 -3.181 -9.595 -9.595 582 HG CYS 74 HG CYS 74 -4.136 -11.547 -11.547 583 H ASP 75 HN ASP 75 -4.403 -13.266 -13.266 584 HA ASP 75 HA ASP 75 -2.436 -14.214 -14.214 585 1HB ASP 75 2HB ASP 75 -4.747 -15.449 -15.449 586 2HB ASP 75 1HB ASP 75 -3.296 -16.411 -16.411 587 H THR 76 HN THR 76 -0.652 -15.482 -15.482 588 HA THR 76 HA THR 76 0.731 -14.391 -14.391 589 HB THR 76 HB THR 76 2.430 -15.919 -15.919 590 HG1 THR 76 1HG THR 76 1.935 -17.918 -17.918 591 1HG2 THR 76 2HG2 THR 76 1.702 -14.561 -14.561 592 2HG2 THR 76 1HG2 THR 76 0.987 -16.060 -16.060 593 3HG2 THR 76 3HG2 THR 76 2.721 -15.972 -15.972 594 H PHE 77 HN PHE 77 1.511 -15.532 -15.532 595 HA PHE 77 HA PHE 77 0.240 -17.833 -17.833 596 1HB PHE 77 2HB PHE 77 -1.294 -16.946 -16.946 597 2HB PHE 77 1HB PHE 77 -1.677 -16.181 -16.181 598 HD1 PHE 77 2HD PHE 77 0.071 -13.990 -13.990 599 HD2 PHE 77 1HD PHE 77 -1.660 -15.519 -15.519 600 HE1 PHE 77 2HE PHE 77 0.287 -11.773 -11.773 601 HE2 PHE 77 1HE PHE 77 -1.446 -13.307 -13.307 602 HZ PHE 77 HZ PHE 77 -0.471 -11.431 -11.431 603 H ASN 78 HN ASN 78 0.292 -17.328 -17.328 604 HA ASN 78 HA ASN 78 3.093 -16.531 -16.531 605 1HB ASN 78 2HB ASN 78 1.546 -18.850 -18.850 606 2HB ASN 78 1HB ASN 78 3.027 -18.248 -18.248 607 1HD2 ASN 78 2HD2 ASN 78 3.615 -21.059 -21.059 608 2HD2 ASN 78 1HD2 ASN 78 2.443 -20.839 -20.839 609 H ALA 79 HN ALA 79 2.334 -14.421 -14.421 610 HA ALA 79 HA ALA 79 0.412 -13.822 -13.822 611 1HB ALA 79 2HB ALA 79 1.499 -12.213 -12.213 612 2HB ALA 79 1HB ALA 79 2.901 -12.205 -12.205 613 3HB ALA 79 3HB ALA 79 1.340 -11.630 -11.630 614 H ALA 80 HN ALA 80 3.598 -15.083 -15.083 615 HA ALA 80 HA ALA 80 4.398 -14.209 -14.209 616 1HB ALA 80 3HB ALA 80 5.011 -16.418 -16.418 617 2HB ALA 80 2HB ALA 80 4.977 -16.960 -16.960 618 3HB ALA 80 1HB ALA 80 6.028 -15.624 -15.624 619 H THR 81 HN THR 81 2.094 -16.805 -16.805 620 HA THR 81 HA THR 81 1.054 -16.557 -16.557 621 HB THR 81 HB THR 81 0.951 -18.999 -18.999 622 HG1 THR 81 1HG THR 81 1.654 -20.333 -20.333 623 1HG2 THR 81 2HG2 THR 81 2.980 -17.661 -17.661 624 2HG2 THR 81 1HG2 THR 81 3.785 -18.326 -18.326 625 3HG2 THR 81 3HG2 THR 81 3.174 -19.407 -19.407 626 H GLU 82 HN GLU 82 -0.085 -15.501 -15.501 627 HA GLU 82 HA GLU 82 -2.418 -17.259 -17.259 628 1HB GLU 82 2HB GLU 82 -0.985 -15.500 -15.500 629 2HB GLU 82 1HB GLU 82 -2.668 -15.945 -15.945 630 1HG GLU 82 2HG GLU 82 -0.571 -18.025 -18.025 631 2HG GLU 82 1HG GLU 82 -0.849 -17.352 -17.352 632 H ASP 83 HN ASP 83 -1.533 -14.638 -14.638 633 HA ASP 83 HA ASP 83 -2.651 -12.908 -12.908 634 1HB ASP 83 2HB ASP 83 -4.522 -14.870 -14.870 635 2HB ASP 83 1HB ASP 83 -5.285 -13.574 -13.574 636 H LEU 84 HN LEU 84 -3.086 -10.807 -10.807 637 HA LEU 84 HA LEU 84 -3.493 -10.219 -10.219 638 1HB LEU 84 2HB LEU 84 -2.303 -8.188 -8.188 639 2HB LEU 84 1HB LEU 84 -2.017 -8.470 -8.470 640 HG LEU 84 HG LEU 84 -0.994 -10.289 -10.289 641 1HD1 LEU 84 1HD1 LEU 84 0.252 -7.896 -7.896 642 2HD1 LEU 84 3HD1 LEU 84 1.224 -9.191 -9.191 643 3HD1 LEU 84 2HD1 LEU 84 0.121 -8.271 -8.271 644 1HD2 LEU 84 1HD2 LEU 84 -1.300 -10.819 -10.819 645 2HD2 LEU 84 3HD2 LEU 84 -0.042 -11.526 -11.526 646 3HD2 LEU 84 2HD2 LEU 84 0.320 -10.123 -10.123 647 H ASN 85 HN ASN 85 -5.482 -10.599 -10.599 648 HA ASN 85 HA ASN 85 -6.957 -8.122 -8.122 649 1HB ASN 85 2HB ASN 85 -5.754 -8.093 -8.093 650 2HB ASN 85 1HB ASN 85 -6.907 -9.333 -9.333 651 1HD2 ASN 85 2HD2 ASN 85 -8.631 -6.482 -6.482 652 2HD2 ASN 85 1HD2 ASN 85 -7.470 -7.688 -7.688 653 H ASN 86 HN ASN 86 -7.092 -10.891 -10.891 654 HA ASN 86 HA ASN 86 -9.709 -11.706 -11.706 655 1HB ASN 86 2HB ASN 86 -7.366 -13.182 -13.182 656 2HB ASN 86 1HB ASN 86 -8.855 -13.742 -13.742 657 1HD2 ASN 86 2HD2 ASN 86 -8.611 -13.936 -13.936 658 2HD2 ASN 86 1HD2 ASN 86 -7.920 -12.602 -12.602 659 H ASP 87 HN ASP 87 -8.004 -10.697 -10.697 660 HA ASP 87 HA ASP 87 -10.250 -11.279 -11.279 661 1HB ASP 87 2HB ASP 87 -7.923 -11.556 -11.556 662 2HB ASP 87 1HB ASP 87 -7.662 -9.827 -9.827 663 H ARG 88 HN ARG 88 -11.840 -9.903 -9.903 664 HA ARG 88 HA ARG 88 -11.393 -7.031 -7.031 665 1HB ARG 88 2HB ARG 88 -13.346 -6.660 -6.660 666 2HB ARG 88 1HB ARG 88 -12.209 -7.718 -7.718 667 1HG ARG 88 2HG ARG 88 -14.219 -9.139 -9.139 668 2HG ARG 88 1HG ARG 88 -14.881 -8.170 -8.170 669 1HD ARG 88 2HD ARG 88 -12.602 -10.102 -10.102 670 2HD ARG 88 1HD ARG 88 -14.292 -10.559 -10.559 671 HE ARG 88 HE ARG 88 -13.655 -8.273 -8.273 672 1HH1 ARG 88 1HH2 ARG 88 -13.255 -11.729 -11.729 673 2HH1 ARG 88 2HH2 ARG 88 -13.110 -11.908 -11.908 674 1HH2 ARG 88 1HH1 ARG 88 -13.466 -8.495 -8.495 675 2HH2 ARG 88 2HH1 ARG 88 -13.229 -10.067 -10.067 676 H ILE 89 HN ILE 89 -12.594 -5.834 -5.834 677 HA ILE 89 HA ILE 89 -14.378 -7.331 -7.331 678 HB ILE 89 HB ILE 89 -12.899 -4.741 -4.741 679 1HG1 ILE 89 2HG1 ILE 89 -12.454 -7.493 -7.493 680 2HG1 ILE 89 1HG1 ILE 89 -11.465 -6.776 -6.776 681 1HG2 ILE 89 3HG2 ILE 89 -15.054 -4.873 -4.873 682 2HG2 ILE 89 2HG2 ILE 89 -14.553 -6.403 -6.403 683 3HG2 ILE 89 1HG2 ILE 89 -13.685 -4.919 -4.919 684 1HD1 ILE 89 2HD1 ILE 89 -11.406 -4.853 -4.853 685 2HD1 ILE 89 1HD1 ILE 89 -11.426 -6.344 -6.344 686 3HD1 ILE 89 3HD1 ILE 89 -10.169 -6.080 -6.080 687 H THR 90 HN THR 90 -16.488 -6.924 -6.924 688 HA THR 90 HA THR 90 -17.332 -4.408 -4.408 689 HB THR 90 HB THR 90 -18.821 -7.032 -7.032 690 HG1 THR 90 1HG THR 90 -18.437 -6.964 -6.964 691 1HG2 THR 90 1HG2 THR 90 -20.160 -4.831 -4.831 692 2HG2 THR 90 3HG2 THR 90 -19.553 -4.791 -4.791 693 3HG2 THR 90 2HG2 THR 90 -20.525 -6.156 -6.156 694 H ILE 91 HN ILE 91 -18.172 -2.943 -2.943 695 HA ILE 91 HA ILE 91 -19.049 -3.617 -3.617 696 HB ILE 91 HB ILE 91 -19.335 -0.910 -0.910 697 1HG1 ILE 91 2HG1 ILE 91 -17.078 -1.458 -1.458 698 2HG1 ILE 91 1HG1 ILE 91 -17.019 -0.451 -0.451 699 1HG2 ILE 91 1HG2 ILE 91 -20.323 -1.331 -1.331 700 2HG2 ILE 91 3HG2 ILE 91 -18.715 -1.726 -1.726 701 3HG2 ILE 91 2HG2 ILE 91 -19.063 -0.098 -0.098 702 1HD1 ILE 91 3HD1 ILE 91 -17.024 -2.754 -2.754 703 2HD1 ILE 91 2HD1 ILE 91 -16.440 -3.349 -3.349 704 3HD1 ILE 91 1HD1 ILE 91 -15.538 -2.102 -2.102 705 H GLU 92 HN GLU 92 -21.134 -3.096 -3.096 706 HA GLU 92 HA GLU 92 -23.279 -2.559 -2.559 707 1HB GLU 92 2HB GLU 92 -22.815 -5.196 -5.196 708 2HB GLU 92 1HB GLU 92 -24.475 -4.618 -4.618 709 1HG GLU 92 2HG GLU 92 -24.265 -4.347 -4.347 710 2HG GLU 92 1HG GLU 92 -22.638 -5.022 -5.022 711 H TRP 93 HN TRP 93 -23.995 -0.773 -0.773 712 HA TRP 93 HA TRP 93 -24.811 -1.101 -1.101 713 1HB TRP 93 2HB TRP 93 -24.258 1.173 1.173 714 2HB TRP 93 1HB TRP 93 -22.868 0.470 0.470 715 HD1 TRP 93 1HD TRP 93 -25.347 3.275 3.275 716 HE1 TRP 93 1HE TRP 93 -24.882 4.656 4.656 717 HE3 TRP 93 3HE TRP 93 -22.011 0.150 0.150 718 HZ2 TRP 93 2HZ TRP 93 -23.312 4.452 4.452 719 HZ3 TRP 93 3HZ TRP 93 -21.075 0.819 0.819 720 HH2 TRP 93 2HH TRP 93 -21.713 2.924 2.924 721 H THR 94 HN THR 94 -26.844 -0.499 -0.499 722 HA THR 94 HA THR 94 -28.491 0.848 0.848 723 HB THR 94 HB THR 94 -29.146 -1.376 -1.376 724 HG1 THR 94 1HG THR 94 -30.927 0.008 0.008 725 1HG2 THR 94 1HG2 THR 94 -27.985 -2.356 -2.356 726 2HG2 THR 94 3HG2 THR 94 -29.314 -1.811 -1.811 727 3HG2 THR 94 2HG2 THR 94 -29.609 -2.998 -2.998 728 H ASN 95 HN ASN 95 -30.229 2.064 2.064 729 HA ASN 95 HA ASN 95 -29.797 3.359 3.359 730 1HB ASN 95 2HB ASN 95 -31.826 3.423 3.423 731 2HB ASN 95 1HB ASN 95 -32.440 3.866 3.866 732 1HD2 ASN 95 2HD2 ASN 95 -30.957 6.759 6.759 733 2HD2 ASN 95 1HD2 ASN 95 -31.959 5.443 5.443 734 H THR 96 HN THR 96 -30.791 3.235 3.235 735 HA THR 96 HA THR 96 -31.877 0.634 0.634 736 HB THR 96 HB THR 96 -31.699 1.390 1.390 737 HG1 THR 96 1HG THR 96 -30.921 3.481 3.481 738 1HG2 THR 96 3HG2 THR 96 -29.643 0.576 0.576 739 2HG2 THR 96 2HG2 THR 96 -29.225 2.254 2.254 740 3HG2 THR 96 1HG2 THR 96 -29.347 1.699 1.699 741 HA PRO 97 HA PRO 97 -36.142 1.770 1.770 742 1HB PRO 97 2HB PRO 97 -37.061 0.246 0.246 743 2HB PRO 97 1HB PRO 97 -36.660 -0.414 -0.414 744 1HG PRO 97 2HG PRO 97 -35.037 -0.406 -0.406 745 2HG PRO 97 1HG PRO 97 -35.264 -1.708 -1.708 746 1HD PRO 97 2HD PRO 97 -33.043 -0.171 -0.171 747 2HD PRO 97 1HD PRO 97 -33.716 -0.820 -0.820 748 H ASP 98 HN ASP 98 -37.808 2.768 2.768 749 HA ASP 98 HA ASP 98 -37.021 4.978 4.978 750 1HB ASP 98 2HB ASP 98 -39.579 3.397 3.397 751 2HB ASP 98 1HB ASP 98 -39.331 5.009 5.009 752 H GLY 99 HN GLY 99 -35.904 5.200 5.200 753 1HA GLY 99 2HA GLY 99 -35.025 4.789 4.789 754 2HA GLY 99 1HA GLY 99 -36.660 4.299 4.299 755 H ALA 100 HN ALA 100 -34.266 2.823 2.823 756 HA ALA 100 HA ALA 100 -34.851 0.196 0.196 757 1HB ALA 100 3HB ALA 100 -33.589 1.200 1.200 758 2HB ALA 100 2HB ALA 100 -32.193 0.705 0.705 759 3HB ALA 100 1HB ALA 100 -33.425 -0.478 -0.478 760 H ALA 101 HN ALA 101 -33.599 -1.263 -1.263 761 HA ALA 101 HA ALA 101 -32.608 -0.293 -0.293 762 1HB ALA 101 1HB ALA 101 -33.427 -2.612 -2.612 763 2HB ALA 101 3HB ALA 101 -31.891 -2.942 -2.942 764 3HB ALA 101 2HB ALA 101 -31.917 -2.524 -2.524 765 H LYS 102 HN LYS 102 -30.426 -0.680 -0.680 766 HA LYS 102 HA LYS 102 -28.454 0.456 0.456 767 1HB LYS 102 2HB LYS 102 -28.124 -0.135 -0.135 768 2HB LYS 102 1HB LYS 102 -27.142 0.936 0.936 769 1HG LYS 102 2HG LYS 102 -28.905 2.521 2.521 770 2HG LYS 102 1HG LYS 102 -30.063 1.402 1.402 771 1HD LYS 102 2HD LYS 102 -28.138 1.511 1.511 772 2HD LYS 102 1HD LYS 102 -28.080 3.150 3.150 773 1HE LYS 102 2HE LYS 102 -29.645 3.057 3.057 774 2HE LYS 102 1HE LYS 102 -30.514 3.342 3.342 775 1HZ LYS 102 1HZ LYS 102 -30.471 0.627 0.627 776 2HZ LYS 102 3HZ LYS 102 -30.720 1.155 1.155 777 3HZ LYS 102 2HZ LYS 102 -31.781 1.634 1.634 778 H GLN 103 HN GLN 103 -28.472 -1.610 -1.610 779 HA GLN 103 HA GLN 103 -26.117 -3.054 -3.054 780 1HB GLN 103 2HB GLN 103 -28.309 -3.994 -3.994 781 2HB GLN 103 1HB GLN 103 -28.036 -5.168 -5.168 782 1HG GLN 103 2HG GLN 103 -25.543 -4.363 -4.363 783 2HG GLN 103 1HG GLN 103 -26.668 -4.940 -4.940 784 1HE2 GLN 103 2HE2 GLN 103 -24.614 -7.610 -7.610 785 2HE2 GLN 103 1HE2 GLN 103 -24.175 -5.979 -5.979 786 H PHE 104 HN PHE 104 -25.526 -4.214 -4.214 787 HA PHE 104 HA PHE 104 -26.848 -3.732 -3.732 788 1HB PHE 104 2HB PHE 104 -24.476 -4.197 -4.197 789 2HB PHE 104 1HB PHE 104 -24.759 -5.799 -5.799 790 HD1 PHE 104 1HD PHE 104 -25.020 -3.715 -3.715 791 HD2 PHE 104 2HD PHE 104 -25.414 -7.628 -7.628 792 HE1 PHE 104 1HE PHE 104 -25.113 -4.647 -4.647 793 HE2 PHE 104 2HE PHE 104 -25.506 -8.567 -8.567 794 HZ PHE 104 HZ PHE 104 -25.355 -7.077 -7.077 795 H ARG 105 HN ARG 105 -28.635 -4.595 -4.595 796 HA ARG 105 HA ARG 105 -29.550 -7.183 -7.183 797 1HB ARG 105 2HB ARG 105 -30.901 -4.824 -4.824 798 2HB ARG 105 1HB ARG 105 -31.356 -5.664 -5.664 799 1HG ARG 105 2HG ARG 105 -33.003 -6.420 -6.420 800 2HG ARG 105 1HG ARG 105 -31.784 -7.646 -7.646 801 1HD ARG 105 2HD ARG 105 -31.043 -6.192 -6.192 802 2HD ARG 105 1HD ARG 105 -32.475 -5.205 -5.205 803 HE ARG 105 HE ARG 105 -33.446 -7.738 -7.738 804 1HH1 ARG 105 1HH2 ARG 105 -31.457 -5.678 -5.678 805 2HH1 ARG 105 2HH2 ARG 105 -32.007 -6.362 -6.362 806 1HH2 ARG 105 1HH1 ARG 105 -34.180 -8.645 -8.645 807 2HH2 ARG 105 2HH1 ARG 105 -33.556 -8.048 -8.048 808 H ARG 106 HN ARG 106 -30.460 -8.742 -8.742 809 HA ARG 106 HA ARG 106 -28.983 -8.852 -8.852 810 1HB ARG 106 2HB ARG 106 -29.144 -10.750 -10.750 811 2HB ARG 106 1HB ARG 106 -30.720 -11.060 -11.060 812 1HG ARG 106 2HG ARG 106 -29.208 -10.975 -10.975 813 2HG ARG 106 1HG ARG 106 -28.021 -11.570 -11.570 814 1HD ARG 106 2HD ARG 106 -29.298 -13.471 -13.471 815 2HD ARG 106 1HD ARG 106 -30.757 -12.785 -12.785 816 HE ARG 106 HE ARG 106 -30.075 -13.553 -13.553 817 1HH1 ARG 106 1HH2 ARG 106 -27.375 -13.605 -13.605 818 2HH1 ARG 106 2HH2 ARG 106 -26.331 -14.447 -14.447 819 1HH2 ARG 106 1HH1 ARG 106 -28.710 -14.662 -14.662 820 2HH2 ARG 106 2HH1 ARG 106 -27.091 -15.049 -15.049 821 H GLU 107 HN GLU 107 -32.216 -8.503 -8.503 822 HA GLU 107 HA GLU 107 -33.636 -9.244 -9.244 823 1HB GLU 107 2HB GLU 107 -35.530 -8.123 -8.123 824 2HB GLU 107 1HB GLU 107 -34.657 -9.004 -9.004 825 1HG GLU 107 2HG GLU 107 -34.291 -7.158 -7.158 826 2HG GLU 107 1HG GLU 107 -33.699 -6.291 -6.291 827 H TRP 108 HN TRP 108 -31.727 -6.488 -6.488 828 HA TRP 108 HA TRP 108 -33.014 -4.547 -4.547 829 1HB TRP 108 2HB TRP 108 -30.107 -4.884 -4.884 830 2HB TRP 108 1HB TRP 108 -30.744 -3.463 -3.463 831 HD1 TRP 108 1HD TRP 108 -33.488 -3.978 -3.978 832 HE1 TRP 108 1HE TRP 108 -33.297 -2.806 -2.806 833 HE3 TRP 108 3HE TRP 108 -28.448 -3.123 -3.123 834 HZ2 TRP 108 2HZ TRP 108 -31.277 -1.671 -1.671 835 HZ3 TRP 108 3HZ TRP 108 -27.465 -1.989 -1.989 836 HH2 TRP 108 2HH TRP 108 -28.853 -1.277 -1.277 837 H PHE 109 HN PHE 109 -31.339 -7.375 -7.375 838 HA PHE 109 HA PHE 109 -31.240 -6.400 -6.400 839 1HB PHE 109 2HB PHE 109 -29.354 -8.475 -8.475 840 2HB PHE 109 1HB PHE 109 -29.237 -7.602 -7.602 841 HD1 PHE 109 1HD PHE 109 -29.270 -7.007 -7.007 842 HD2 PHE 109 2HD PHE 109 -27.847 -5.770 -5.770 843 HE1 PHE 109 1HE PHE 109 -27.837 -5.326 -5.326 844 HE2 PHE 109 2HE PHE 109 -26.411 -4.086 -4.086 845 HZ PHE 109 HZ PHE 109 -26.405 -3.863 -3.863 846 H GLN 110 HN GLN 110 -33.541 -7.497 -7.497 847 HA GLN 110 HA GLN 110 -33.487 -10.137 -10.137 848 1HB GLN 110 2HB GLN 110 -35.029 -11.056 -11.056 849 2HB GLN 110 1HB GLN 110 -33.697 -10.356 -10.356 850 1HG GLN 110 2HG GLN 110 -35.038 -8.951 -8.951 851 2HG GLN 110 1HG GLN 110 -35.851 -8.463 -8.463 852 1HE2 GLN 110 2HE2 GLN 110 -37.377 -11.465 -11.465 853 2HE2 GLN 110 1HE2 GLN 110 -35.719 -11.000 -11.000 854 H GLY 111 HN GLY 111 -34.181 -7.357 -7.357 855 1HA GLY 111 2HA GLY 111 -36.901 -7.984 -7.984 856 2HA GLY 111 1HA GLY 111 -36.502 -6.375 -6.375 857 H ASP 112 HN ASP 112 -37.376 -5.964 -5.964 858 HA ASP 112 HA ASP 112 -35.267 -6.291 -6.291 859 1HB ASP 112 2HB ASP 112 -38.179 -6.331 -6.331 860 2HB ASP 112 1HB ASP 112 -37.493 -5.229 -5.229 861 H GLY 113 HN GLY 113 -34.489 -4.522 -4.522 862 1HA GLY 113 2HA GLY 113 -33.966 -2.317 -2.317 863 2HA GLY 113 1HA GLY 113 -35.487 -1.877 -1.877 864 H MET 114 HN MET 114 -33.664 -0.134 -0.134 865 HA MET 114 HA MET 114 -32.492 0.925 0.925 866 1HB MET 114 2HB MET 114 -34.244 -0.972 -0.972 867 2HB MET 114 1HB MET 114 -32.930 -0.235 -0.235 868 1HG MET 114 2HG MET 114 -33.868 1.973 1.973 869 2HG MET 114 1HG MET 114 -35.340 1.014 1.014 870 1HE MET 114 3HE MET 114 -34.073 3.687 3.687 871 2HE MET 114 2HE MET 114 -35.807 3.504 3.504 872 3HE MET 114 1HE MET 114 -35.165 3.588 3.588 873 H VAL 115 HN VAL 115 -30.731 0.699 0.699 874 HA VAL 115 HA VAL 115 -28.825 -0.268 -0.268 875 HB VAL 115 HB VAL 115 -29.386 -2.826 -2.826 876 1HG1 VAL 115 3HG1 VAL 115 -27.345 -1.958 -1.958 877 2HG1 VAL 115 2HG1 VAL 115 -28.330 -3.064 -3.064 878 3HG1 VAL 115 1HG1 VAL 115 -27.638 -3.600 -3.600 879 1HG2 VAL 115 2HG2 VAL 115 -31.045 -1.634 -1.634 880 2HG2 VAL 115 1HG2 VAL 115 -31.239 -3.177 -3.177 881 3HG2 VAL 115 3HG2 VAL 115 -30.288 -3.086 -3.086 882 H ARG 116 HN ARG 116 -27.031 0.518 0.518 883 HA ARG 116 HA ARG 116 -26.545 0.152 0.152 884 1HB ARG 116 2HB ARG 116 -26.306 2.389 2.389 885 2HB ARG 116 1HB ARG 116 -24.680 1.956 1.956 886 1HG ARG 116 2HG ARG 116 -25.563 1.959 1.959 887 2HG ARG 116 1HG ARG 116 -27.024 2.707 2.707 888 1HD ARG 116 2HD ARG 116 -25.471 4.445 4.445 889 2HD ARG 116 1HD ARG 116 -24.221 3.787 3.787 890 HE ARG 116 HE ARG 116 -25.209 4.849 4.849 891 1HH1 ARG 116 1HH2 ARG 116 -27.460 4.727 4.727 892 2HH1 ARG 116 2HH2 ARG 116 -28.627 5.746 5.746 893 1HH2 ARG 116 1HH1 ARG 116 -26.739 6.191 6.191 894 2HH2 ARG 116 2HH1 ARG 116 -28.218 6.578 6.578 895 H ARG 117 HN ARG 117 -24.531 -0.552 -0.552 896 HA ARG 117 HA ARG 117 -22.707 -1.676 -1.676 897 1HB ARG 117 2HB ARG 117 -22.439 -3.691 -3.691 898 2HB ARG 117 1HB ARG 117 -24.031 -3.543 -3.543 899 1HG ARG 117 2HG ARG 117 -24.865 -2.590 -2.590 900 2HG ARG 117 1HG ARG 117 -23.282 -2.901 -2.901 901 1HD ARG 117 2HD ARG 117 -24.761 -4.703 -4.703 902 2HD ARG 117 1HD ARG 117 -23.557 -5.301 -5.301 903 HE ARG 117 HE ARG 117 -25.722 -4.536 -4.536 904 1HH1 ARG 117 1HH2 ARG 117 -25.109 -6.795 -6.795 905 2HH1 ARG 117 2HH2 ARG 117 -26.325 -7.915 -7.915 906 1HH2 ARG 117 1HH1 ARG 117 -27.326 -6.003 -6.003 907 2HH2 ARG 117 2HH1 ARG 117 -27.585 -7.465 -7.465 908 H LYS 118 HN LYS 118 -20.574 -1.551 -1.551 909 HA LYS 118 HA LYS 118 -19.804 -0.435 -0.435 910 1HB LYS 118 2HB LYS 118 -18.970 0.396 0.396 911 2HB LYS 118 1HB LYS 118 -17.913 0.676 0.676 912 1HG LYS 118 2HG LYS 118 -19.598 2.034 2.034 913 2HG LYS 118 1HG LYS 118 -20.742 1.682 1.682 914 1HD LYS 118 2HD LYS 118 -19.845 3.834 3.834 915 2HD LYS 118 1HD LYS 118 -19.086 2.723 2.723 916 1HE LYS 118 2HE LYS 118 -17.298 3.995 3.995 917 2HE LYS 118 1HE LYS 118 -17.213 2.547 2.547 918 1HZ LYS 118 1HZ LYS 118 -18.853 4.625 4.625 919 2HZ LYS 118 3HZ LYS 118 -17.238 5.087 5.087 920 3HZ LYS 118 2HZ LYS 118 -17.620 3.717 3.717 921 H ASN 119 HN ASN 119 -17.455 -0.732 -0.732 922 HA ASN 119 HA ASN 119 -16.531 -3.329 -3.329 923 1HB ASN 119 2HB ASN 119 -16.702 -2.310 -2.310 924 2HB ASN 119 1HB ASN 119 -15.373 -3.386 -3.386 925 1HD2 ASN 119 2HD2 ASN 119 -19.134 -4.780 -4.780 926 2HD2 ASN 119 1HD2 ASN 119 -18.750 -3.099 -3.099 927 H LEU 120 HN LEU 120 -14.276 -3.651 -3.651 928 HA LEU 120 HA LEU 120 -12.571 -1.294 -1.294 929 1HB LEU 120 2HB LEU 120 -13.117 -2.764 -2.764 930 2HB LEU 120 1HB LEU 120 -11.566 -1.986 -1.986 931 HG LEU 120 HG LEU 120 -13.192 0.069 0.069 932 1HD1 LEU 120 1HD1 LEU 120 -14.676 -1.542 -1.542 933 2HD1 LEU 120 3HD1 LEU 120 -15.026 0.128 0.128 934 3HD1 LEU 120 2HD1 LEU 120 -15.235 -1.163 -1.163 935 1HD2 LEU 120 1HD2 LEU 120 -11.319 -0.333 -0.333 936 2HD2 LEU 120 3HD2 LEU 120 -12.438 1.024 1.024 937 3HD2 LEU 120 2HD2 LEU 120 -12.700 -0.437 -0.437 938 HA PRO 121 HA PRO 121 -10.597 -5.019 -5.019 939 1HB PRO 121 2HB PRO 121 -8.947 -2.764 -2.764 940 2HB PRO 121 1HB PRO 121 -9.606 -4.165 -4.165 941 1HG PRO 121 2HG PRO 121 -10.716 -1.762 -1.762 942 2HG PRO 121 1HG PRO 121 -11.716 -3.224 -3.224 943 1HD PRO 121 2HD PRO 121 -11.223 -1.135 -1.135 944 2HD PRO 121 1HD PRO 121 -12.695 -2.067 -2.067 945 H ILE 122 HN ILE 122 -8.818 -6.098 -6.098 946 HA ILE 122 HA ILE 122 -7.068 -4.733 -4.733 947 HB ILE 122 HB ILE 122 -7.344 -7.715 -7.715 948 1HG1 ILE 122 2HG1 ILE 122 -9.558 -6.587 -6.587 949 2HG1 ILE 122 1HG1 ILE 122 -9.028 -7.750 -7.750 950 1HG2 ILE 122 2HG2 ILE 122 -5.381 -6.896 -6.896 951 2HG2 ILE 122 1HG2 ILE 122 -6.422 -5.983 -5.983 952 3HG2 ILE 122 3HG2 ILE 122 -6.484 -7.745 -7.745 953 1HD1 ILE 122 3HD1 ILE 122 -8.266 -4.933 -4.933 954 2HD1 ILE 122 2HD1 ILE 122 -9.973 -5.341 -5.341 955 3HD1 ILE 122 1HD1 ILE 122 -8.767 -6.173 -6.173 956 H GLU 123 HN GLU 123 -4.880 -4.723 -4.723 957 HA GLU 123 HA GLU 123 -3.784 -6.185 -6.185 958 1HB GLU 123 2HB GLU 123 -3.396 -3.276 -3.276 959 2HB GLU 123 1HB GLU 123 -2.301 -4.152 -4.152 960 1HG GLU 123 2HG GLU 123 -5.052 -4.529 -4.529 961 2HG GLU 123 1HG GLU 123 -4.624 -2.820 -2.820 962 H TYR 124 HN TYR 124 -1.464 -6.493 -6.493 963 HA TYR 124 HA TYR 124 -0.406 -6.481 -6.481 964 1HB TYR 124 2HB TYR 124 -0.100 -8.607 -8.607 965 2HB TYR 124 1HB TYR 124 0.814 -8.579 -8.579 966 HD1 TYR 124 2HD TYR 124 -0.357 -8.909 -8.909 967 HD2 TYR 124 1HD TYR 124 -2.370 -9.346 -9.346 968 HE1 TYR 124 2HE TYR 124 -2.171 -10.121 -10.121 969 HE2 TYR 124 1HE TYR 124 -4.192 -10.559 -10.559 970 HH TYR 124 HH TYR 124 -4.458 -11.930 -11.930 971 H ASN 125 HN ASN 125 1.203 -5.072 -5.072 972 HA ASN 125 HA ASN 125 2.846 -4.505 -4.505 973 1HB ASN 125 2HB ASN 125 1.857 -2.629 -2.629 974 2HB ASN 125 1HB ASN 125 2.857 -3.121 -3.121 975 1HD2 ASN 125 2HD2 ASN 125 5.053 -0.677 -0.677 976 2HD2 ASN 125 1HD2 ASN 125 3.842 -1.069 -1.069 977 H LEU 126 HN LEU 126 4.159 -6.320 -6.320 978 HA LEU 126 HA LEU 126 5.606 -7.312 -7.312 979 1HB LEU 126 2HB LEU 126 6.101 -7.716 -7.716 980 2HB LEU 126 1HB LEU 126 6.831 -8.650 -8.650 981 HG LEU 126 HG LEU 126 3.852 -8.551 -8.551 982 1HD1 LEU 126 1HD1 LEU 126 5.313 -9.244 -9.244 983 2HD1 LEU 126 3HD1 LEU 126 5.127 -10.795 -10.795 984 3HD1 LEU 126 2HD1 LEU 126 3.702 -9.854 -9.854 985 1HD2 LEU 126 2HD2 LEU 126 4.940 -9.587 -9.587 986 2HD2 LEU 126 1HD2 LEU 126 4.022 -10.752 -10.752 987 3HD2 LEU 126 3HD2 LEU 126 5.780 -10.699 -10.699 988 1H ALA 1 2HN ALA 1 43.333 -6.010 -6.010 989 2H ALA 1 1HN ALA 1 44.888 -6.736 -6.736 990 3H ALA 1 3HN ALA 1 43.580 -7.425 -7.425 991 HA ALA 1 HA ALA 1 43.748 -8.772 -8.772 992 1HB ALA 1 2HB ALA 1 44.571 -6.280 -6.280 993 2HB ALA 1 1HB ALA 1 43.847 -7.575 -7.575 994 3HB ALA 1 3HB ALA 1 45.308 -7.881 -7.881 995 H GLN 2 HN GLN 2 42.351 -5.865 -5.865 996 HA GLN 2 HA GLN 2 40.215 -5.305 -5.305 997 1HB GLN 2 2HB GLN 2 39.932 -6.193 -6.193 998 2HB GLN 2 1HB GLN 2 39.021 -7.453 -7.453 999 1HG GLN 2 2HG GLN 2 37.688 -5.624 -5.624 1000 2HG GLN 2 1HG GLN 2 38.485 -4.499 -4.499 1001 1HE2 GLN 2 2HE2 GLN 2 35.176 -5.823 -5.823 1002 2HE2 GLN 2 1HE2 GLN 2 35.657 -5.273 -5.273 1003 H SER 3 HN SER 3 39.338 -5.785 -5.785 1004 HA SER 3 HA SER 3 39.705 -8.324 -8.324 1005 1HB SER 3 2HB SER 3 38.911 -7.343 -7.343 1006 2HB SER 3 1HB SER 3 39.400 -5.903 -5.903 1007 HG SER 3 HG SER 3 37.403 -5.294 -5.294 1008 H VAL 4 HN VAL 4 36.751 -6.590 -6.590 1009 HA VAL 4 HA VAL 4 35.508 -8.785 -8.785 1010 HB VAL 4 HB VAL 4 35.424 -9.782 -9.782 1011 1HG1 VAL 4 2HG1 VAL 4 34.752 -7.090 -7.090 1012 2HG1 VAL 4 1HG1 VAL 4 33.589 -8.253 -8.253 1013 3HG1 VAL 4 3HG1 VAL 4 35.308 -8.447 -8.447 1014 1HG2 VAL 4 3HG2 VAL 4 32.810 -8.817 -8.817 1015 2HG2 VAL 4 2HG2 VAL 4 33.581 -10.390 -10.390 1016 3HG2 VAL 4 1HG2 VAL 4 32.890 -9.937 -9.937 1017 HA PRO 5 HA PRO 5 32.995 -5.305 -5.305 1018 1HB PRO 5 2HB PRO 5 31.252 -6.553 -6.553 1019 2HB PRO 5 1HB PRO 5 32.947 -6.331 -6.331 1020 1HG PRO 5 2HG PRO 5 31.583 -8.756 -8.756 1021 2HG PRO 5 1HG PRO 5 32.775 -8.641 -8.641 1022 1HD PRO 5 2HD PRO 5 33.401 -9.368 -9.368 1023 2HD PRO 5 1HD PRO 5 34.545 -8.588 -8.588 1024 HA PRO 6 HA PRO 6 29.384 -5.241 -5.241 1025 1HB PRO 6 2HB PRO 6 27.654 -3.718 -3.718 1026 2HB PRO 6 1HB PRO 6 29.091 -3.049 -3.049 1027 1HG PRO 6 2HG PRO 6 28.673 -3.812 -3.812 1028 2HG PRO 6 1HG PRO 6 29.468 -2.376 -2.376 1029 1HD PRO 6 2HD PRO 6 30.848 -4.520 -4.520 1030 2HD PRO 6 1HD PRO 6 31.438 -3.498 -3.498 1031 H GLY 7 HN GLY 7 28.380 -7.167 -7.167 1032 1HA GLY 7 2HA GLY 7 27.251 -8.701 -8.701 1033 2HA GLY 7 1HA GLY 7 26.903 -8.887 -8.887 1034 H ASP 8 HN ASP 8 25.296 -8.785 -8.785 1035 HA ASP 8 HA ASP 8 23.598 -6.629 -6.629 1036 1HB ASP 8 2HB ASP 8 23.434 -9.464 -9.464 1037 2HB ASP 8 1HB ASP 8 21.876 -8.680 -8.680 1038 H ILE 9 HN ILE 9 21.504 -6.199 -6.199 1039 HA ILE 9 HA ILE 9 21.007 -7.460 -7.460 1040 HB ILE 9 HB ILE 9 20.065 -5.369 -5.369 1041 1HG1 ILE 9 2HG1 ILE 9 21.003 -3.946 -3.946 1042 2HG1 ILE 9 1HG1 ILE 9 19.414 -4.701 -4.701 1043 1HG2 ILE 9 2HG2 ILE 9 22.837 -5.424 -5.424 1044 2HG2 ILE 9 1HG2 ILE 9 22.233 -3.919 -3.919 1045 3HG2 ILE 9 3HG2 ILE 9 22.268 -5.386 -5.386 1046 1HD1 ILE 9 3HD1 ILE 9 19.840 -3.099 -3.099 1047 2HD1 ILE 9 2HD1 ILE 9 20.058 -2.162 -2.162 1048 3HD1 ILE 9 1HD1 ILE 9 18.548 -3.029 -3.029 1049 H ASN 10 HN ASN 10 18.872 -7.889 -7.889 1050 HA ASN 10 HA ASN 10 17.073 -8.314 -8.314 1051 1HB ASN 10 2HB ASN 10 17.363 -9.332 -9.332 1052 2HB ASN 10 1HB ASN 10 15.687 -9.036 -9.036 1053 1HD2 ASN 10 2HD2 ASN 10 17.625 -12.254 -12.254 1054 2HD2 ASN 10 1HD2 ASN 10 18.259 -11.171 -11.171 1055 H THR 11 HN THR 11 15.128 -7.313 -7.313 1056 HA THR 11 HA THR 11 14.372 -5.156 -5.156 1057 HB THR 11 HB THR 11 13.639 -4.053 -4.053 1058 HG1 THR 11 1HG THR 11 16.022 -5.488 -5.488 1059 1HG2 THR 11 3HG2 THR 11 16.378 -3.836 -3.836 1060 2HG2 THR 11 2HG2 THR 11 15.702 -2.723 -2.723 1061 3HG2 THR 11 1HG2 THR 11 14.958 -2.869 -2.869 1062 H GLN 12 HN GLN 12 12.221 -4.868 -4.868 1063 HA GLN 12 HA GLN 12 10.342 -6.399 -6.399 1064 1HB GLN 12 2HB GLN 12 10.203 -6.372 -6.372 1065 2HB GLN 12 1HB GLN 12 9.222 -7.320 -7.320 1066 1HG GLN 12 2HG GLN 12 11.461 -8.375 -8.375 1067 2HG GLN 12 1HG GLN 12 12.080 -7.701 -7.701 1068 1HE2 GLN 12 2HE2 GLN 12 9.755 -9.736 -9.736 1069 2HE2 GLN 12 1HE2 GLN 12 10.140 -8.062 -8.062 1070 HA PRO 13 HA PRO 13 8.630 -5.981 -5.981 1071 1HB PRO 13 2HB PRO 13 8.380 -4.056 -4.056 1072 2HB PRO 13 1HB PRO 13 7.035 -4.667 -4.667 1073 1HG PRO 13 2HG PRO 13 8.650 -2.174 -2.174 1074 2HG PRO 13 1HG PRO 13 6.898 -2.406 -2.406 1075 1HD PRO 13 2HD PRO 13 8.487 -2.266 -2.266 1076 2HD PRO 13 1HD PRO 13 7.080 -3.347 -3.347 1077 H SER 14 HN SER 14 9.773 -6.304 -6.304 1078 HA SER 14 HA SER 14 12.472 -6.442 -6.442 1079 1HB SER 14 2HB SER 14 10.687 -6.217 -6.217 1080 2HB SER 14 1HB SER 14 12.435 -6.333 -6.333 1081 HG SER 14 HG SER 14 10.724 -8.189 -8.189 1082 H GLN 15 HN GLN 15 10.975 -3.993 -3.993 1083 HA GLN 15 HA GLN 15 12.567 -1.872 -1.872 1084 1HB GLN 15 2HB GLN 15 13.689 -1.465 -1.465 1085 2HB GLN 15 1HB GLN 15 14.387 -2.664 -2.664 1086 1HG GLN 15 2HG GLN 15 14.227 -4.182 -4.182 1087 2HG GLN 15 1HG GLN 15 12.475 -3.990 -3.990 1088 1HE2 GLN 15 2HE2 GLN 15 12.561 -2.882 -2.882 1089 2HE2 GLN 15 1HE2 GLN 15 11.861 -3.885 -3.885 1090 H LYS 16 HN LYS 16 9.837 -2.154 -2.154 1091 HA LYS 16 HA LYS 16 9.253 0.171 0.171 1092 1HB LYS 16 2HB LYS 16 9.199 -1.718 -1.718 1093 2HB LYS 16 1HB LYS 16 7.867 -2.407 -2.407 1094 1HG LYS 16 2HG LYS 16 6.375 -0.934 -0.934 1095 2HG LYS 16 1HG LYS 16 7.524 0.404 0.404 1096 1HD LYS 16 2HD LYS 16 7.362 0.161 0.161 1097 2HD LYS 16 1HD LYS 16 8.612 -1.051 -1.051 1098 1HE LYS 16 2HE LYS 16 7.225 -2.408 -2.408 1099 2HE LYS 16 1HE LYS 16 6.375 -2.521 -2.521 1100 1HZ LYS 16 2HZ LYS 16 5.406 -0.251 -0.251 1101 2HZ LYS 16 1HZ LYS 16 5.487 -1.411 -1.411 1102 3HZ LYS 16 3HZ LYS 16 4.604 -1.730 -1.730 1103 H ILE 17 HN ILE 17 7.842 1.326 1.326 1104 HA ILE 17 HA ILE 17 5.801 -0.069 -0.069 1105 HB ILE 17 HB ILE 17 7.595 0.714 0.714 1106 1HG1 ILE 17 2HG1 ILE 17 5.226 2.506 2.506 1107 2HG1 ILE 17 1HG1 ILE 17 5.046 0.755 0.755 1108 1HG2 ILE 17 2HG2 ILE 17 8.256 2.646 2.646 1109 2HG2 ILE 17 1HG2 ILE 17 6.839 3.503 3.503 1110 3HG2 ILE 17 3HG2 ILE 17 8.120 3.023 3.023 1111 1HD1 ILE 17 2HD1 ILE 17 7.023 2.306 2.306 1112 2HD1 ILE 17 1HD1 ILE 17 5.408 1.857 1.857 1113 3HD1 ILE 17 3HD1 ILE 17 6.588 0.605 0.605 1114 H VAL 18 HN VAL 18 3.840 1.090 1.090 1115 HA VAL 18 HA VAL 18 3.509 3.524 3.524 1116 HB VAL 18 HB VAL 18 2.805 1.718 1.718 1117 1HG1 VAL 18 2HG1 VAL 18 2.237 0.227 0.227 1118 2HG1 VAL 18 1HG1 VAL 18 0.633 0.945 0.945 1119 3HG1 VAL 18 3HG1 VAL 18 1.319 0.037 0.037 1120 1HG2 VAL 18 1HG2 VAL 18 1.105 3.839 3.839 1121 2HG2 VAL 18 3HG2 VAL 18 1.281 3.164 3.164 1122 3HG2 VAL 18 2HG2 VAL 18 0.123 2.460 2.460 1123 H PHE 19 HN PHE 19 3.102 4.887 4.887 1124 HA PHE 19 HA PHE 19 1.733 4.351 4.351 1125 1HB PHE 19 2HB PHE 19 2.316 6.833 6.833 1126 2HB PHE 19 1HB PHE 19 1.146 6.935 6.935 1127 HD1 PHE 19 1HD PHE 19 4.651 6.232 6.232 1128 HD2 PHE 19 2HD PHE 19 1.828 6.810 6.810 1129 HE1 PHE 19 1HE PHE 19 6.494 6.435 6.435 1130 HE2 PHE 19 2HE PHE 19 3.664 7.015 7.015 1131 HZ PHE 19 HZ PHE 19 6.001 6.827 6.827 1132 H ASN 20 HN ASN 20 -0.255 3.574 3.574 1133 HA ASN 20 HA ASN 20 -2.265 3.961 3.961 1134 1HB ASN 20 2HB ASN 20 -2.088 2.401 2.401 1135 2HB ASN 20 1HB ASN 20 -3.662 2.680 2.680 1136 1HD2 ASN 20 2HD2 ASN 20 -0.927 0.266 0.266 1137 2HD2 ASN 20 1HD2 ASN 20 -0.427 1.443 1.443 1138 H ALA 21 HN ALA 21 -3.929 5.344 5.344 1139 HA ALA 21 HA ALA 21 -3.998 7.648 7.648 1140 1HB ALA 21 3HB ALA 21 -5.632 6.408 6.408 1141 2HB ALA 21 2HB ALA 21 -6.684 6.986 6.986 1142 3HB ALA 21 1HB ALA 21 -5.590 8.104 8.104 1143 HA PRO 22 HA PRO 22 -6.324 8.845 8.845 1144 1HB PRO 22 2HB PRO 22 -6.923 10.454 10.454 1145 2HB PRO 22 1HB PRO 22 -8.061 9.240 9.240 1146 1HG PRO 22 2HG PRO 22 -6.240 9.124 9.124 1147 2HG PRO 22 1HG PRO 22 -7.931 8.612 8.612 1148 1HD PRO 22 2HD PRO 22 -5.816 6.889 6.889 1149 2HD PRO 22 1HD PRO 22 -7.372 6.595 6.595 1150 H TYR 23 HN TYR 23 -5.458 11.045 11.045 1151 HA TYR 23 HA TYR 23 -2.748 11.136 11.136 1152 1HB TYR 23 2HB TYR 23 -3.723 12.422 12.422 1153 2HB TYR 23 1HB TYR 23 -2.080 12.489 12.489 1154 HD1 TYR 23 2HD TYR 23 -1.968 9.594 9.594 1155 HD2 TYR 23 1HD TYR 23 -3.238 11.353 11.353 1156 HE1 TYR 23 2HE TYR 23 -1.425 7.511 7.511 1157 HE2 TYR 23 1HE TYR 23 -2.697 9.272 9.272 1158 HH TYR 23 HH TYR 23 -2.530 6.590 6.590 1159 H ASP 24 HN ASP 24 -5.187 12.051 12.051 1160 HA ASP 24 HA ASP 24 -4.826 14.964 14.964 1161 1HB ASP 24 2HB ASP 24 -7.130 13.460 13.460 1162 2HB ASP 24 1HB ASP 24 -7.008 13.898 13.898 1163 H ASP 25 HN ASP 25 -3.456 12.498 12.498 1164 HA ASP 25 HA ASP 25 -2.972 14.096 14.096 1165 1HB ASP 25 2HB ASP 25 -3.826 11.215 11.215 1166 2HB ASP 25 1HB ASP 25 -3.539 12.390 12.390 1167 H LYS 26 HN LYS 26 -1.413 12.628 12.628 1168 HA LYS 26 HA LYS 26 0.798 11.928 11.928 1169 1HB LYS 26 2HB LYS 26 0.941 12.170 12.170 1170 2HB LYS 26 1HB LYS 26 2.249 12.302 12.302 1171 1HG LYS 26 2HG LYS 26 1.216 14.390 14.390 1172 2HG LYS 26 1HG LYS 26 0.017 14.272 14.272 1173 1HD LYS 26 2HD LYS 26 2.861 14.100 14.100 1174 2HD LYS 26 1HD LYS 26 2.289 15.672 15.672 1175 1HE LYS 26 2HE LYS 26 1.817 15.837 15.837 1176 2HE LYS 26 1HE LYS 26 0.296 15.180 15.180 1177 1HZ LYS 26 2HZ LYS 26 1.787 12.970 12.970 1178 2HZ LYS 26 1HZ LYS 26 2.209 14.008 14.008 1179 3HZ LYS 26 3HZ LYS 26 0.586 13.605 13.605 1180 H HIS 27 HN HIS 27 0.822 9.857 9.857 1181 HA HIS 27 HA HIS 27 0.216 7.815 7.815 1182 1HB HIS 27 2HB HIS 27 -0.004 7.714 7.714 1183 2HB HIS 27 1HB HIS 27 -0.174 6.301 6.301 1184 HD1 HIS 27 1HD HIS 27 -1.959 7.560 7.560 1185 HD2 HIS 27 2HD HIS 27 -2.558 8.027 8.027 1186 HE1 HIS 27 1HE HIS 27 -4.405 8.130 8.130 1187 H THR 28 HN THR 28 1.741 6.382 6.382 1188 HA THR 28 HA THR 28 4.326 6.548 6.548 1189 HB THR 28 HB THR 28 3.681 5.646 5.646 1190 HG1 THR 28 1HG THR 28 3.786 7.710 7.710 1191 1HG2 THR 28 3HG2 THR 28 6.035 5.208 5.208 1192 2HG2 THR 28 2HG2 THR 28 6.392 6.217 6.217 1193 3HG2 THR 28 1HG2 THR 28 5.645 4.634 4.634 1194 H TYR 29 HN TYR 29 5.258 4.782 4.782 1195 HA TYR 29 HA TYR 29 3.824 2.223 2.223 1196 1HB TYR 29 2HB TYR 29 5.233 3.419 3.419 1197 2HB TYR 29 1HB TYR 29 4.780 1.719 1.719 1198 HD1 TYR 29 1HD TYR 29 3.136 5.011 5.011 1199 HD2 TYR 29 2HD TYR 29 2.855 1.182 1.182 1200 HE1 TYR 29 1HE TYR 29 0.886 5.574 5.574 1201 HE2 TYR 29 2HE TYR 29 0.605 1.733 1.733 1202 HH TYR 29 HH TYR 29 -1.229 4.174 4.174 1203 H HIS 30 HN HIS 30 4.933 0.670 0.670 1204 HA HIS 30 HA HIS 30 7.659 1.000 1.000 1205 1HB HIS 30 2HB HIS 30 5.535 -1.003 -1.003 1206 2HB HIS 30 1HB HIS 30 7.187 -1.610 -1.610 1207 HD1 HIS 30 1HD HIS 30 4.792 0.675 0.675 1208 HD2 HIS 30 2HD HIS 30 8.688 -0.718 -0.718 1209 HE1 HIS 30 1HE HIS 30 5.553 1.326 1.326 1210 H ILE 31 HN ILE 31 9.454 -0.264 -0.264 1211 HA ILE 31 HA ILE 31 9.222 -1.799 -1.799 1212 HB ILE 31 HB ILE 31 11.528 0.066 0.066 1213 1HG1 ILE 31 2HG1 ILE 31 9.072 0.573 0.573 1214 2HG1 ILE 31 1HG1 ILE 31 9.474 1.400 1.400 1215 1HG2 ILE 31 3HG2 ILE 31 10.678 -1.721 -1.721 1216 2HG2 ILE 31 2HG2 ILE 31 11.527 -0.230 -0.230 1217 3HG2 ILE 31 1HG2 ILE 31 12.286 -1.417 -1.417 1218 1HD1 ILE 31 2HD1 ILE 31 11.471 1.476 1.476 1219 2HD1 ILE 31 1HD1 ILE 31 10.004 2.436 2.436 1220 3HD1 ILE 31 3HD1 ILE 31 11.056 2.695 2.695 1221 H LYS 32 HN LYS 32 10.886 -3.379 -3.379 1222 HA LYS 32 HA LYS 32 12.248 -4.122 -4.122 1223 1HB LYS 32 2HB LYS 32 10.319 -5.571 -5.571 1224 2HB LYS 32 1HB LYS 32 11.767 -6.247 -6.247 1225 1HG LYS 32 2HG LYS 32 12.218 -7.431 -7.431 1226 2HG LYS 32 1HG LYS 32 12.099 -6.002 -6.002 1227 1HD LYS 32 2HD LYS 32 9.945 -6.428 -6.428 1228 2HD LYS 32 1HD LYS 32 9.554 -7.137 -7.137 1229 1HE LYS 32 2HE LYS 32 10.592 -9.197 -9.197 1230 2HE LYS 32 1HE LYS 32 11.294 -8.499 -8.499 1231 1HZ LYS 32 3HZ LYS 32 8.946 -8.137 -8.137 1232 2HZ LYS 32 2HZ LYS 32 8.444 -9.107 -9.107 1233 3HZ LYS 32 1HZ LYS 32 9.438 -9.753 -9.753 1234 H ILE 33 HN ILE 33 14.374 -4.536 -4.536 1235 HA ILE 33 HA ILE 33 15.754 -4.950 -4.950 1236 HB ILE 33 HB ILE 33 16.580 -2.771 -2.771 1237 1HG1 ILE 33 2HG1 ILE 33 15.545 -2.515 -2.515 1238 2HG1 ILE 33 1HG1 ILE 33 14.569 -2.232 -2.232 1239 1HG2 ILE 33 3HG2 ILE 33 17.787 -3.820 -3.820 1240 2HG2 ILE 33 2HG2 ILE 33 18.201 -2.245 -2.245 1241 3HG2 ILE 33 1HG2 ILE 33 18.527 -3.713 -3.713 1242 1HD1 ILE 33 2HD1 ILE 33 16.496 -0.553 -0.553 1243 2HD1 ILE 33 1HD1 ILE 33 16.759 -0.599 -0.599 1244 3HD1 ILE 33 3HD1 ILE 33 15.194 -0.103 -0.103 1245 H THR 34 HN THR 34 17.081 -6.623 -6.623 1246 HA THR 34 HA THR 34 18.215 -7.111 -7.111 1247 HB THR 34 HB THR 34 17.365 -9.096 -9.096 1248 HG1 THR 34 1HG THR 34 15.694 -8.300 -8.300 1249 1HG2 THR 34 1HG2 THR 34 19.421 -9.865 -9.865 1250 2HG2 THR 34 3HG2 THR 34 18.620 -9.694 -9.694 1251 3HG2 THR 34 2HG2 THR 34 18.020 -10.865 -10.865 1252 H ASN 35 HN ASN 35 20.325 -8.010 -8.010 1253 HA ASN 35 HA ASN 35 22.011 -7.146 -7.146 1254 1HB ASN 35 2HB ASN 35 22.657 -6.307 -6.307 1255 2HB ASN 35 1HB ASN 35 22.673 -7.934 -7.934 1256 1HD2 ASN 35 2HD2 ASN 35 25.578 -7.297 -7.297 1257 2HD2 ASN 35 1HD2 ASN 35 23.922 -6.948 -6.948 1258 H ALA 36 HN ALA 36 21.453 -8.911 -8.911 1259 HA ALA 36 HA ALA 36 21.844 -11.619 -11.619 1260 1HB ALA 36 2HB ALA 36 20.532 -10.775 -10.775 1261 2HB ALA 36 1HB ALA 36 22.056 -10.400 -10.400 1262 3HB ALA 36 3HB ALA 36 21.661 -12.070 -12.070 1263 H GLY 37 HN GLY 37 24.103 -9.123 -9.123 1264 1HA GLY 37 2HA GLY 37 26.212 -10.493 -10.493 1265 2HA GLY 37 1HA GLY 37 26.390 -9.111 -9.111 1266 H GLY 38 HN GLY 38 28.312 -10.025 -10.025 1267 1HA GLY 38 2HA GLY 38 27.841 -12.349 -12.349 1268 2HA GLY 38 1HA GLY 38 29.387 -12.001 -12.001 1269 H ARG 39 HN ARG 39 28.780 -9.045 -9.045 1270 HA ARG 39 HA ARG 39 29.337 -9.121 -9.121 1271 1HB ARG 39 2HB ARG 39 31.012 -7.993 -7.993 1272 2HB ARG 39 1HB ARG 39 30.901 -7.063 -7.063 1273 1HG ARG 39 2HG ARG 39 31.610 -9.105 -9.105 1274 2HG ARG 39 1HG ARG 39 31.887 -9.887 -9.887 1275 1HD ARG 39 2HD ARG 39 33.982 -9.042 -9.042 1276 2HD ARG 39 1HD ARG 39 33.435 -7.998 -7.998 1277 HE ARG 39 HE ARG 39 33.437 -6.265 -6.265 1278 1HH1 ARG 39 1HH2 ARG 39 33.185 -9.235 -9.235 1279 2HH1 ARG 39 2HH2 ARG 39 33.270 -8.457 -8.457 1280 1HH2 ARG 39 1HH1 ARG 39 33.550 -5.231 -5.231 1281 2HH2 ARG 39 2HH1 ARG 39 33.476 -6.179 -6.179 1282 H ARG 40 HN ARG 40 29.176 -6.891 -6.891 1283 HA ARG 40 HA ARG 40 26.654 -5.837 -5.837 1284 1HB ARG 40 2HB ARG 40 29.066 -4.253 -4.253 1285 2HB ARG 40 1HB ARG 40 27.388 -3.967 -3.967 1286 1HG ARG 40 2HG ARG 40 27.557 -6.416 -6.416 1287 2HG ARG 40 1HG ARG 40 29.281 -6.039 -6.039 1288 1HD ARG 40 2HD ARG 40 28.490 -5.419 -5.419 1289 2HD ARG 40 1HD ARG 40 28.612 -3.903 -3.903 1290 HE ARG 40 HE ARG 40 26.013 -5.006 -5.006 1291 1HH1 ARG 40 1HH2 ARG 40 28.095 -3.337 -3.337 1292 2HH1 ARG 40 2HH2 ARG 40 26.788 -2.596 -2.596 1293 1HH2 ARG 40 1HH1 ARG 40 24.285 -4.038 -4.038 1294 2HH2 ARG 40 2HH1 ARG 40 24.622 -2.996 -2.996 1295 H ILE 41 HN ILE 41 26.043 -3.601 -3.601 1296 HA ILE 41 HA ILE 41 27.628 -2.415 -2.415 1297 HB ILE 41 HB ILE 41 25.831 -2.564 -2.564 1298 1HG1 ILE 41 2HG1 ILE 41 24.655 -4.620 -4.620 1299 2HG1 ILE 41 1HG1 ILE 41 23.966 -3.036 -3.036 1300 1HG2 ILE 41 2HG2 ILE 41 27.835 -4.179 -4.179 1301 2HG2 ILE 41 1HG2 ILE 41 26.607 -5.356 -5.356 1302 3HG2 ILE 41 3HG2 ILE 41 26.538 -4.594 -4.594 1303 1HD1 ILE 41 3HD1 ILE 41 24.460 -5.010 -5.010 1304 2HD1 ILE 41 2HD1 ILE 41 23.000 -5.076 -5.076 1305 3HD1 ILE 41 1HD1 ILE 41 23.355 -3.637 -3.637 1306 H GLY 42 HN GLY 42 27.285 -0.285 -0.285 1307 1HA GLY 42 2HA GLY 42 25.120 0.845 0.845 1308 2HA GLY 42 1HA GLY 42 26.522 1.717 1.717 1309 H TRP 43 HN TRP 43 23.246 1.088 1.088 1310 HA TRP 43 HA TRP 43 23.306 1.836 1.836 1311 1HB TRP 43 2HB TRP 43 20.882 1.251 1.251 1312 2HB TRP 43 1HB TRP 43 21.942 -0.084 -0.084 1313 HD1 TRP 43 1HD TRP 43 21.809 -0.983 -0.983 1314 HE1 TRP 43 1HE TRP 43 20.085 -0.640 -0.640 1315 HE3 TRP 43 3HE TRP 43 19.273 3.010 3.010 1316 HZ2 TRP 43 2HZ TRP 43 17.935 1.093 1.093 1317 HZ3 TRP 43 3HZ TRP 43 17.395 3.950 3.950 1318 HH2 TRP 43 2HH TRP 43 16.742 3.010 3.010 1319 H ALA 44 HN ALA 44 21.808 3.416 3.416 1320 HA ALA 44 HA ALA 44 20.869 5.428 5.428 1321 1HB ALA 44 3HB ALA 44 23.278 5.756 5.756 1322 2HB ALA 44 2HB ALA 44 22.112 6.732 6.732 1323 3HB ALA 44 1HB ALA 44 22.350 7.005 7.005 1324 H ILE 45 HN ILE 45 19.300 6.882 6.882 1325 HA ILE 45 HA ILE 45 18.061 5.806 5.806 1326 HB ILE 45 HB ILE 45 16.599 7.202 7.202 1327 1HG1 ILE 45 2HG1 ILE 45 17.587 5.094 5.094 1328 2HG1 ILE 45 1HG1 ILE 45 15.831 4.993 4.993 1329 1HG2 ILE 45 1HG2 ILE 45 15.887 6.223 6.223 1330 2HG2 ILE 45 3HG2 ILE 45 14.850 5.576 5.576 1331 3HG2 ILE 45 2HG2 ILE 45 15.018 7.321 7.321 1332 1HD1 ILE 45 2HD1 ILE 45 16.177 3.895 3.895 1333 2HD1 ILE 45 1HD1 ILE 45 17.870 3.738 3.738 1334 3HD1 ILE 45 3HD1 ILE 45 16.617 2.958 2.958 1335 H LYS 46 HN LYS 46 17.662 7.155 7.155 1336 HA LYS 46 HA LYS 46 17.964 10.047 10.047 1337 1HB LYS 46 2HB LYS 46 19.190 8.277 8.277 1338 2HB LYS 46 1HB LYS 46 18.630 9.844 9.844 1339 1HG LYS 46 2HG LYS 46 20.452 9.521 9.521 1340 2HG LYS 46 1HG LYS 46 21.037 9.722 9.722 1341 1HD LYS 46 2HD LYS 46 19.065 11.716 11.716 1342 2HD LYS 46 1HD LYS 46 20.254 11.724 11.724 1343 1HE LYS 46 2HE LYS 46 21.754 11.471 11.471 1344 2HE LYS 46 1HE LYS 46 20.500 12.645 12.645 1345 1HZ LYS 46 2HZ LYS 46 21.497 13.253 13.253 1346 2HZ LYS 46 1HZ LYS 46 22.821 13.035 13.035 1347 3HZ LYS 46 3HZ LYS 46 21.624 14.166 14.166 1348 H THR 47 HN THR 47 16.672 11.445 11.445 1349 HA THR 47 HA THR 47 14.570 10.228 10.228 1350 HB THR 47 HB THR 47 12.787 11.356 11.356 1351 HG1 THR 47 1HG THR 47 14.670 12.287 12.287 1352 1HG2 THR 47 2HG2 THR 47 13.906 9.188 9.188 1353 2HG2 THR 47 1HG2 THR 47 14.259 10.286 10.286 1354 3HG2 THR 47 3HG2 THR 47 12.590 10.026 10.026 1355 H THR 48 HN THR 48 13.493 11.707 11.707 1356 HA THR 48 HA THR 48 15.169 13.621 13.621 1357 HB THR 48 HB THR 48 12.828 14.367 14.367 1358 HG1 THR 48 1HG THR 48 11.246 13.220 13.220 1359 1HG2 THR 48 1HG2 THR 48 14.549 12.053 12.053 1360 2HG2 THR 48 3HG2 THR 48 12.942 12.035 12.035 1361 3HG2 THR 48 2HG2 THR 48 14.035 13.382 13.382 1362 H ASN 49 HN ASN 49 12.454 13.968 13.968 1363 HA ASN 49 HA ASN 49 13.341 16.722 16.722 1364 1HB ASN 49 2HB ASN 49 10.534 15.747 15.747 1365 2HB ASN 49 1HB ASN 49 10.855 17.235 17.235 1366 1HD2 ASN 49 2HD2 ASN 49 10.475 17.581 17.581 1367 2HD2 ASN 49 1HD2 ASN 49 9.679 16.501 16.501 1368 H MET 50 HN MET 50 14.023 16.814 16.814 1369 HA MET 50 HA MET 50 12.933 14.974 14.974 1370 1HB MET 50 2HB MET 50 15.421 16.555 16.555 1371 2HB MET 50 1HB MET 50 14.822 16.343 16.343 1372 1HG MET 50 2HG MET 50 14.670 13.818 13.818 1373 2HG MET 50 1HG MET 50 16.221 14.494 14.494 1374 1HE MET 50 1HE MET 50 13.930 13.225 13.225 1375 2HE MET 50 3HE MET 50 15.151 12.067 12.067 1376 3HE MET 50 2HE MET 50 14.647 13.370 13.370 1377 H ARG 51 HN ARG 51 11.554 17.470 17.470 1378 HA ARG 51 HA ARG 51 11.310 19.031 19.031 1379 1HB ARG 51 2HB ARG 51 9.958 20.580 20.580 1380 2HB ARG 51 1HB ARG 51 11.603 20.354 20.354 1381 1HG ARG 51 2HG ARG 51 10.914 19.060 19.060 1382 2HG ARG 51 1HG ARG 51 9.326 18.752 18.752 1383 1HD ARG 51 2HD ARG 51 8.671 20.378 20.378 1384 2HD ARG 51 1HD ARG 51 9.268 21.441 21.441 1385 HE ARG 51 HE ARG 51 11.443 20.952 20.952 1386 1HH1 ARG 51 1HH2 ARG 51 8.247 22.250 22.250 1387 2HH1 ARG 51 2HH2 ARG 51 8.723 23.283 23.283 1388 1HH2 ARG 51 1HH1 ARG 51 12.080 22.307 22.307 1389 2HH2 ARG 51 2HH1 ARG 51 10.903 23.315 23.315 1390 H ARG 52 HN ARG 52 9.532 16.850 16.850 1391 HA ARG 52 HA ARG 52 7.225 17.044 17.044 1392 1HB ARG 52 2HB ARG 52 6.050 15.848 15.848 1393 2HB ARG 52 1HB ARG 52 6.342 17.581 17.581 1394 1HG ARG 52 2HG ARG 52 8.382 17.136 17.136 1395 2HG ARG 52 1HG ARG 52 7.965 15.422 15.422 1396 1HD ARG 52 2HD ARG 52 5.638 16.571 16.571 1397 2HD ARG 52 1HD ARG 52 6.847 17.639 17.639 1398 HE ARG 52 HE ARG 52 7.362 14.837 14.837 1399 1HH1 ARG 52 1HH2 ARG 52 5.742 17.675 17.675 1400 2HH1 ARG 52 2HH2 ARG 52 5.661 17.098 17.098 1401 1HH2 ARG 52 1HH1 ARG 52 7.262 14.066 14.066 1402 2HH2 ARG 52 2HH1 ARG 52 6.526 15.045 15.045 1403 H LEU 53 HN LEU 53 9.723 15.011 15.011 1404 HA LEU 53 HA LEU 53 8.403 12.634 12.634 1405 1HB LEU 53 2HB LEU 53 10.891 12.602 12.602 1406 2HB LEU 53 1HB LEU 53 9.775 11.288 11.288 1407 HG LEU 53 HG LEU 53 9.011 13.727 13.727 1408 1HD1 LEU 53 2HD1 LEU 53 10.943 12.387 12.387 1409 2HD1 LEU 53 1HD1 LEU 53 9.790 11.067 11.067 1410 3HD1 LEU 53 3HD1 LEU 53 9.525 12.595 12.595 1411 1HD2 LEU 53 1HD2 LEU 53 7.205 12.361 12.361 1412 2HD2 LEU 53 3HD2 LEU 53 7.163 12.386 12.386 1413 3HD2 LEU 53 2HD2 LEU 53 7.791 10.973 10.973 1414 H SER 54 HN SER 54 9.204 11.665 11.665 1415 HA SER 54 HA SER 54 11.926 12.279 12.279 1416 1HB SER 54 2HB SER 54 9.876 12.327 12.327 1417 2HB SER 54 1HB SER 54 11.374 13.245 13.245 1418 HG SER 54 HG SER 54 10.320 14.539 14.539 1419 H VAL 55 HN VAL 55 12.801 10.315 10.315 1420 HA VAL 55 HA VAL 55 11.246 8.059 8.059 1421 HB VAL 55 HB VAL 55 13.329 6.770 6.770 1422 1HG1 VAL 55 1HG1 VAL 55 10.996 7.855 7.855 1423 2HG1 VAL 55 3HG1 VAL 55 12.278 7.216 7.216 1424 3HG1 VAL 55 2HG1 VAL 55 11.533 6.187 6.187 1425 1HG2 VAL 55 1HG2 VAL 55 14.458 9.099 9.099 1426 2HG2 VAL 55 3HG2 VAL 55 14.732 7.764 7.764 1427 3HG2 VAL 55 2HG2 VAL 55 13.573 9.030 9.030 1428 H ASP 56 HN ASP 56 11.651 7.228 7.228 1429 HA ASP 56 HA ASP 56 14.260 7.761 7.761 1430 1HB ASP 56 2HB ASP 56 11.522 8.237 8.237 1431 2HB ASP 56 1HB ASP 56 12.867 7.862 7.862 1432 HA PRO 57 HA PRO 57 15.608 7.032 7.032 1433 1HB PRO 57 2HB PRO 57 17.378 4.765 4.765 1434 2HB PRO 57 1HB PRO 57 17.113 5.682 5.682 1435 1HG PRO 57 2HG PRO 57 16.301 3.111 3.111 1436 2HG PRO 57 1HG PRO 57 15.458 4.272 4.272 1437 1HD PRO 57 2HD PRO 57 14.767 3.354 3.354 1438 2HD PRO 57 1HD PRO 57 13.700 3.641 3.641 1439 HA PRO 58 HA PRO 58 16.673 7.879 7.879 1440 1HB PRO 58 2HB PRO 58 18.823 9.504 9.504 1441 2HB PRO 58 1HB PRO 58 17.148 10.035 10.035 1442 1HG PRO 58 2HG PRO 58 19.097 9.155 9.155 1443 2HG PRO 58 1HG PRO 58 17.949 10.506 10.506 1444 1HD PRO 58 2HD PRO 58 17.457 8.171 8.171 1445 2HD PRO 58 1HD PRO 58 16.162 9.139 9.139 1446 H CYS 59 HN CYS 59 19.097 6.795 6.795 1447 HA CYS 59 HA CYS 59 20.307 5.134 5.134 1448 1HB CYS 59 2HB CYS 59 22.607 5.834 5.834 1449 2HB CYS 59 1HB CYS 59 21.767 6.987 6.987 1450 HG CYS 59 HG CYS 59 21.065 8.018 8.018 1451 H GLY 60 HN GLY 60 22.264 3.894 3.894 1452 1HA GLY 60 2HA GLY 60 22.245 3.327 3.327 1453 2HA GLY 60 1HA GLY 60 20.912 2.376 2.376 1454 H VAL 61 HN VAL 61 22.401 0.686 0.686 1455 HA VAL 61 HA VAL 61 23.927 -0.486 -0.486 1456 HB VAL 61 HB VAL 61 25.605 0.800 0.800 1457 1HG1 VAL 61 2HG1 VAL 61 24.170 0.116 0.116 1458 2HG1 VAL 61 1HG1 VAL 61 25.538 -0.990 -0.990 1459 3HG1 VAL 61 3HG1 VAL 61 25.815 0.749 0.749 1460 1HG2 VAL 61 1HG2 VAL 61 25.708 -1.903 -1.903 1461 2HG2 VAL 61 3HG2 VAL 61 27.057 -0.784 -0.784 1462 3HG2 VAL 61 2HG2 VAL 61 26.548 -1.790 -1.790 1463 H LEU 62 HN LEU 62 23.546 -2.617 -2.617 1464 HA LEU 62 HA LEU 62 22.550 -3.981 -3.981 1465 1HB LEU 62 2HB LEU 62 20.978 -5.221 -5.221 1466 2HB LEU 62 1HB LEU 62 20.733 -3.511 -3.511 1467 HG LEU 62 HG LEU 62 22.503 -4.961 -4.961 1468 1HD1 LEU 62 2HD1 LEU 62 19.604 -5.530 -5.530 1469 2HD1 LEU 62 1HD1 LEU 62 20.261 -5.466 -5.466 1470 3HD1 LEU 62 3HD1 LEU 62 20.918 -6.612 -6.612 1471 1HD2 LEU 62 1HD2 LEU 62 20.993 -2.511 -2.511 1472 2HD2 LEU 62 3HD2 LEU 62 22.257 -2.988 -2.988 1473 3HD2 LEU 62 2HD2 LEU 62 20.578 -3.424 -3.424 1474 H ASP 63 HN ASP 63 22.977 -6.232 -6.232 1475 HA ASP 63 HA ASP 63 25.500 -6.963 -6.963 1476 1HB ASP 63 2HB ASP 63 25.326 -8.930 -8.930 1477 2HB ASP 63 1HB ASP 63 25.471 -7.335 -7.335 1478 HA PRO 64 HA PRO 64 24.061 -9.964 -9.964 1479 1HB PRO 64 2HB PRO 64 25.578 -12.129 -12.129 1480 2HB PRO 64 1HB PRO 64 25.723 -11.499 -11.499 1481 1HG PRO 64 2HG PRO 64 27.581 -10.977 -10.977 1482 2HG PRO 64 1HG PRO 64 27.110 -9.762 -9.762 1483 1HD PRO 64 2HD PRO 64 26.323 -9.988 -9.988 1484 2HD PRO 64 1HD PRO 64 26.734 -8.540 -8.540 1485 H LYS 65 HN LYS 65 22.234 -11.094 -11.094 1486 HA LYS 65 HA LYS 65 20.538 -12.562 -12.562 1487 1HB LYS 65 2HB LYS 65 22.396 -13.958 -13.958 1488 2HB LYS 65 1HB LYS 65 21.849 -13.303 -13.303 1489 1HG LYS 65 2HG LYS 65 19.798 -14.395 -14.395 1490 2HG LYS 65 1HG LYS 65 19.938 -14.663 -14.663 1491 1HD LYS 65 2HD LYS 65 22.069 -16.040 -16.040 1492 2HD LYS 65 1HD LYS 65 21.172 -16.149 -16.149 1493 1HE LYS 65 2HE LYS 65 20.048 -16.897 -16.897 1494 2HE LYS 65 1HE LYS 65 20.775 -18.046 -18.046 1495 1HZ LYS 65 2HZ LYS 65 19.090 -17.455 -17.455 1496 2HZ LYS 65 1HZ LYS 65 18.392 -16.361 -16.361 1497 3HZ LYS 65 3HZ LYS 65 18.374 -18.018 -18.018 1498 H GLU 66 HN GLU 66 21.035 -9.759 -9.759 1499 HA GLU 66 HA GLU 66 18.845 -10.009 -10.009 1500 1HB GLU 66 2HB GLU 66 20.372 -8.983 -8.983 1501 2HB GLU 66 1HB GLU 66 21.331 -8.450 -8.450 1502 1HG GLU 66 2HG GLU 66 20.634 -6.511 -6.511 1503 2HG GLU 66 1HG GLU 66 19.644 -6.615 -6.615 1504 H LYS 67 HN LYS 67 17.048 -8.705 -8.705 1505 HA LYS 67 HA LYS 67 16.637 -7.465 -7.465 1506 1HB LYS 67 2HB LYS 67 14.567 -8.057 -8.057 1507 2HB LYS 67 1HB LYS 67 14.283 -7.661 -7.661 1508 1HG LYS 67 2HG LYS 67 15.107 -9.754 -9.754 1509 2HG LYS 67 1HG LYS 67 15.768 -10.124 -10.124 1510 1HD LYS 67 2HD LYS 67 13.095 -9.651 -9.651 1511 2HD LYS 67 1HD LYS 67 13.078 -10.508 -10.508 1512 1HE LYS 67 2HE LYS 67 13.270 -12.391 -12.391 1513 2HE LYS 67 1HE LYS 67 14.928 -11.899 -11.899 1514 1HZ LYS 67 2HZ LYS 67 13.891 -10.623 -10.623 1515 2HZ LYS 67 1HZ LYS 67 12.523 -11.584 -11.584 1516 3HZ LYS 67 3HZ LYS 67 14.002 -12.305 -12.305 1517 H VAL 68 HN VAL 68 15.384 -5.476 -5.476 1518 HA VAL 68 HA VAL 68 15.692 -3.725 -3.725 1519 HB VAL 68 HB VAL 68 16.451 -2.910 -2.910 1520 1HG1 VAL 68 1HG1 VAL 68 16.109 -1.468 -1.468 1521 2HG1 VAL 68 3HG1 VAL 68 17.527 -1.042 -1.042 1522 3HG1 VAL 68 2HG1 VAL 68 15.914 -0.903 -0.903 1523 1HG2 VAL 68 3HG2 VAL 68 17.975 -4.559 -4.559 1524 2HG2 VAL 68 2HG2 VAL 68 18.690 -3.149 -3.149 1525 3HG2 VAL 68 1HG2 VAL 68 18.388 -3.136 -3.136 1526 H LEU 69 HN LEU 69 14.109 -2.192 -2.192 1527 HA LEU 69 HA LEU 69 11.929 -2.236 -2.236 1528 1HB LEU 69 2HB LEU 69 11.859 -2.124 -2.124 1529 2HB LEU 69 1HB LEU 69 10.500 -1.571 -1.571 1530 HG LEU 69 HG LEU 69 11.639 -4.349 -4.349 1531 1HD1 LEU 69 3HD1 LEU 69 10.586 -3.485 -3.485 1532 2HD1 LEU 69 2HD1 LEU 69 9.107 -3.923 -3.923 1533 3HD1 LEU 69 1HD1 LEU 69 10.372 -5.126 -5.126 1534 1HD2 LEU 69 1HD2 LEU 69 10.189 -3.281 -3.281 1535 2HD2 LEU 69 3HD2 LEU 69 9.697 -4.858 -4.858 1536 3HD2 LEU 69 2HD2 LEU 69 8.868 -3.401 -3.401 1537 H MET 70 HN MET 70 11.675 -0.386 -0.386 1538 HA MET 70 HA MET 70 12.495 2.111 2.111 1539 1HB MET 70 2HB MET 70 12.190 1.798 1.798 1540 2HB MET 70 1HB MET 70 13.104 3.009 3.009 1541 1HG MET 70 2HG MET 70 14.628 1.160 1.160 1542 2HG MET 70 1HG MET 70 13.790 0.112 0.112 1543 1HE MET 70 2HE MET 70 13.285 1.167 1.167 1544 2HE MET 70 1HE MET 70 13.362 2.899 2.899 1545 3HE MET 70 3HE MET 70 14.452 2.174 2.174 1546 H ALA 71 HN ALA 71 11.251 4.028 4.028 1547 HA ALA 71 HA ALA 71 8.456 3.442 3.442 1548 1HB ALA 71 1HB ALA 71 8.608 3.692 3.692 1549 2HB ALA 71 3HB ALA 71 9.402 5.255 5.255 1550 3HB ALA 71 2HB ALA 71 7.727 5.048 5.048 1551 H VAL 72 HN VAL 72 8.332 4.326 4.326 1552 HA VAL 72 HA VAL 72 9.557 6.903 6.903 1553 HB VAL 72 HB VAL 72 9.698 5.196 5.196 1554 1HG1 VAL 72 3HG1 VAL 72 7.047 4.641 4.641 1555 2HG1 VAL 72 2HG1 VAL 72 6.990 5.192 5.192 1556 3HG1 VAL 72 1HG1 VAL 72 8.019 3.831 3.831 1557 1HG2 VAL 72 1HG2 VAL 72 8.004 7.594 7.594 1558 2HG2 VAL 72 3HG2 VAL 72 9.735 7.375 7.375 1559 3HG2 VAL 72 2HG2 VAL 72 8.582 6.497 6.497 1560 H SER 73 HN SER 73 8.501 8.655 8.655 1561 HA SER 73 HA SER 73 5.591 8.656 8.656 1562 1HB SER 73 2HB SER 73 7.578 10.764 10.764 1563 2HB SER 73 1HB SER 73 5.845 10.778 10.778 1564 HG SER 73 HG SER 73 7.856 9.177 9.177 1565 H CYS 74 HN CYS 74 4.299 9.647 9.647 1566 HA CYS 74 HA CYS 74 5.537 11.387 11.387 1567 1HB CYS 74 2HB CYS 74 4.723 9.342 9.342 1568 2HB CYS 74 1HB CYS 74 3.154 9.539 9.539 1569 HG CYS 74 HG CYS 74 4.115 11.498 11.498 1570 H ASP 75 HN ASP 75 4.362 13.220 13.220 1571 HA ASP 75 HA ASP 75 2.381 14.151 14.151 1572 1HB ASP 75 2HB ASP 75 4.694 15.402 15.402 1573 2HB ASP 75 1HB ASP 75 3.240 16.360 16.360 1574 H THR 76 HN THR 76 0.596 15.416 15.416 1575 HA THR 76 HA THR 76 -0.770 14.329 14.329 1576 HB THR 76 HB THR 76 -2.480 15.845 15.845 1577 HG1 THR 76 1HG THR 76 -2.000 17.843 17.843 1578 1HG2 THR 76 2HG2 THR 76 -1.755 14.484 14.484 1579 2HG2 THR 76 1HG2 THR 76 -1.053 15.985 15.985 1580 3HG2 THR 76 3HG2 THR 76 -2.785 15.886 15.886 1581 H PHE 77 HN PHE 77 -1.544 15.473 15.473 1582 HA PHE 77 HA PHE 77 -0.280 17.786 17.786 1583 1HB PHE 77 2HB PHE 77 1.266 16.913 16.913 1584 2HB PHE 77 1HB PHE 77 1.643 16.143 16.143 1585 HD1 PHE 77 2HD PHE 77 -0.092 13.941 13.941 1586 HD2 PHE 77 1HD PHE 77 1.645 15.495 15.495 1587 HE1 PHE 77 2HE PHE 77 -0.294 11.729 11.729 1588 HE2 PHE 77 1HE PHE 77 1.447 13.287 13.287 1589 HZ PHE 77 HZ PHE 77 0.476 11.401 11.401 1590 H ASN 78 HN ASN 78 -0.315 17.292 17.292 1591 HA ASN 78 HA ASN 78 -3.109 16.485 16.485 1592 1HB ASN 78 2HB ASN 78 -1.563 18.815 18.815 1593 2HB ASN 78 1HB ASN 78 -3.037 18.211 18.211 1594 1HD2 ASN 78 2HD2 ASN 78 -3.653 21.007 21.007 1595 2HD2 ASN 78 1HD2 ASN 78 -2.471 20.798 20.798 1596 H ALA 79 HN ALA 79 -2.336 14.380 14.380 1597 HA ALA 79 HA ALA 79 -0.402 13.799 13.799 1598 1HB ALA 79 2HB ALA 79 -1.486 12.177 12.177 1599 2HB ALA 79 1HB ALA 79 -2.885 12.171 12.171 1600 3HB ALA 79 3HB ALA 79 -1.321 11.604 11.604 1601 H ALA 80 HN ALA 80 -3.592 15.047 15.047 1602 HA ALA 80 HA ALA 80 -4.374 14.180 14.180 1603 1HB ALA 80 3HB ALA 80 -5.008 16.377 16.377 1604 2HB ALA 80 2HB ALA 80 -4.966 16.926 16.926 1605 3HB ALA 80 1HB ALA 80 -6.014 15.584 15.584 1606 H THR 81 HN THR 81 -2.085 16.781 16.781 1607 HA THR 81 HA THR 81 -1.029 16.551 16.551 1608 HB THR 81 HB THR 81 -0.940 18.993 18.993 1609 HG1 THR 81 1HG THR 81 -1.660 20.321 20.321 1610 1HG2 THR 81 2HG2 THR 81 -2.956 17.648 17.648 1611 2HG2 THR 81 1HG2 THR 81 -3.774 18.298 18.298 1612 3HG2 THR 81 3HG2 THR 81 -3.166 19.391 19.391 1613 H GLU 82 HN GLU 82 0.101 15.491 15.491 1614 HA GLU 82 HA GLU 82 2.425 17.257 17.257 1615 1HB GLU 82 2HB GLU 82 0.989 15.481 15.481 1616 2HB GLU 82 1HB GLU 82 2.668 15.933 15.933 1617 1HG GLU 82 2HG GLU 82 0.560 18.004 18.004 1618 2HG GLU 82 1HG GLU 82 0.836 17.326 17.326 1619 H ASP 83 HN ASP 83 1.553 14.634 14.634 1620 HA ASP 83 HA ASP 83 2.682 12.915 12.915 1621 1HB ASP 83 2HB ASP 83 4.547 14.881 14.881 1622 2HB ASP 83 1HB ASP 83 5.309 13.582 13.582 1623 H LEU 84 HN LEU 84 3.135 10.814 10.814 1624 HA LEU 84 HA LEU 84 3.520 10.217 10.217 1625 1HB LEU 84 2HB LEU 84 2.353 8.189 8.189 1626 2HB LEU 84 1HB LEU 84 2.054 8.459 8.459 1627 HG LEU 84 HG LEU 84 1.037 10.283 10.283 1628 1HD1 LEU 84 1HD1 LEU 84 -0.207 7.884 7.884 1629 2HD1 LEU 84 3HD1 LEU 84 -1.181 9.177 9.177 1630 3HD1 LEU 84 2HD1 LEU 84 -0.068 8.262 8.262 1631 1HD2 LEU 84 1HD2 LEU 84 1.332 10.812 10.812 1632 2HD2 LEU 84 3HD2 LEU 84 0.072 11.513 11.513 1633 3HD2 LEU 84 2HD2 LEU 84 -0.284 10.106 10.106 1634 H ASN 85 HN ASN 85 5.520 10.615 10.615 1635 HA ASN 85 HA ASN 85 7.005 8.142 8.142 1636 1HB ASN 85 2HB ASN 85 5.816 8.126 8.126 1637 2HB ASN 85 1HB ASN 85 6.971 9.371 9.371 1638 1HD2 ASN 85 2HD2 ASN 85 8.707 6.527 6.527 1639 2HD2 ASN 85 1HD2 ASN 85 7.546 7.731 7.731 1640 H ASN 86 HN ASN 86 7.123 10.907 10.907 1641 HA ASN 86 HA ASN 86 9.743 11.736 11.736 1642 1HB ASN 86 2HB ASN 86 7.388 13.200 13.200 1643 2HB ASN 86 1HB ASN 86 8.868 13.764 13.764 1644 1HD2 ASN 86 2HD2 ASN 86 8.653 13.968 13.968 1645 2HD2 ASN 86 1HD2 ASN 86 7.959 12.631 12.631 1646 H ASP 87 HN ASP 87 8.027 10.709 10.709 1647 HA ASP 87 HA ASP 87 10.259 11.294 11.294 1648 1HB ASP 87 2HB ASP 87 7.928 11.557 11.557 1649 2HB ASP 87 1HB ASP 87 7.675 9.828 9.828 1650 H ARG 88 HN ARG 88 11.854 9.922 9.922 1651 HA ARG 88 HA ARG 88 11.418 7.049 7.049 1652 1HB ARG 88 2HB ARG 88 13.376 6.692 6.692 1653 2HB ARG 88 1HB ARG 88 12.241 7.751 7.751 1654 1HG ARG 88 2HG ARG 88 14.243 9.168 9.168 1655 2HG ARG 88 1HG ARG 88 14.912 8.207 8.207 1656 1HD ARG 88 2HD ARG 88 12.631 10.137 10.137 1657 2HD ARG 88 1HD ARG 88 14.321 10.597 10.597 1658 HE ARG 88 HE ARG 88 13.697 8.318 8.318 1659 1HH1 ARG 88 1HH2 ARG 88 13.286 11.772 11.772 1660 2HH1 ARG 88 2HH2 ARG 88 13.149 11.957 11.957 1661 1HH2 ARG 88 1HH1 ARG 88 13.518 8.548 8.548 1662 2HH2 ARG 88 2HH1 ARG 88 13.280 10.124 10.124 1663 H ILE 89 HN ILE 89 12.618 5.851 5.851 1664 HA ILE 89 HA ILE 89 14.388 7.346 7.346 1665 HB ILE 89 HB ILE 89 12.914 4.750 4.750 1666 1HG1 ILE 89 2HG1 ILE 89 12.452 7.495 7.495 1667 2HG1 ILE 89 1HG1 ILE 89 11.473 6.779 6.779 1668 1HG2 ILE 89 3HG2 ILE 89 15.064 4.887 4.887 1669 2HG2 ILE 89 2HG2 ILE 89 14.550 6.411 6.411 1670 3HG2 ILE 89 1HG2 ILE 89 13.688 4.920 4.920 1671 1HD1 ILE 89 2HD1 ILE 89 11.412 4.847 4.847 1672 2HD1 ILE 89 1HD1 ILE 89 11.425 6.334 6.334 1673 3HD1 ILE 89 3HD1 ILE 89 10.172 6.073 6.073 1674 H THR 90 HN THR 90 16.499 6.950 6.950 1675 HA THR 90 HA THR 90 17.360 4.441 4.441 1676 HB THR 90 HB THR 90 18.838 7.069 7.069 1677 HG1 THR 90 1HG THR 90 18.466 7.020 7.020 1678 1HG2 THR 90 1HG2 THR 90 20.189 4.879 4.879 1679 2HG2 THR 90 3HG2 THR 90 19.586 4.840 4.840 1680 3HG2 THR 90 2HG2 THR 90 20.550 6.209 6.209 1681 H ILE 91 HN ILE 91 18.206 2.971 2.971 1682 HA ILE 91 HA ILE 91 19.060 3.640 3.640 1683 HB ILE 91 HB ILE 91 19.367 0.939 0.939 1684 1HG1 ILE 91 2HG1 ILE 91 17.110 1.477 1.477 1685 2HG1 ILE 91 1HG1 ILE 91 17.048 0.465 0.465 1686 1HG2 ILE 91 1HG2 ILE 91 20.339 1.354 1.354 1687 2HG2 ILE 91 3HG2 ILE 91 18.728 1.749 1.749 1688 3HG2 ILE 91 2HG2 ILE 91 19.079 0.121 0.121 1689 1HD1 ILE 91 3HD1 ILE 91 17.032 2.763 2.763 1690 2HD1 ILE 91 2HD1 ILE 91 16.457 3.362 3.362 1691 3HD1 ILE 91 1HD1 ILE 91 15.555 2.108 2.108 1692 H GLU 92 HN GLU 92 21.143 3.122 3.122 1693 HA GLU 92 HA GLU 92 23.301 2.604 2.604 1694 1HB GLU 92 2HB GLU 92 22.818 5.233 5.233 1695 2HB GLU 92 1HB GLU 92 24.480 4.663 4.663 1696 1HG GLU 92 2HG GLU 92 24.286 4.400 4.400 1697 2HG GLU 92 1HG GLU 92 22.656 5.065 5.065 1698 H TRP 93 HN TRP 93 24.019 0.815 0.815 1699 HA TRP 93 HA TRP 93 24.817 1.135 1.135 1700 1HB TRP 93 2HB TRP 93 24.274 -1.144 -1.144 1701 2HB TRP 93 1HB TRP 93 22.885 -0.443 -0.443 1702 HD1 TRP 93 1HD TRP 93 25.374 -3.235 -3.235 1703 HE1 TRP 93 1HE TRP 93 24.925 -4.608 -4.608 1704 HE3 TRP 93 3HE TRP 93 22.037 -0.113 -0.113 1705 HZ2 TRP 93 2HZ TRP 93 23.365 -4.399 -4.399 1706 HZ3 TRP 93 3HZ TRP 93 21.115 -0.774 -0.774 1707 HH2 TRP 93 2HH TRP 93 21.767 -2.874 -2.874 1708 H THR 94 HN THR 94 26.850 0.541 0.541 1709 HA THR 94 HA THR 94 28.511 -0.793 -0.793 1710 HB THR 94 HB THR 94 29.160 1.435 1.435 1711 HG1 THR 94 1HG THR 94 30.946 0.062 0.062 1712 1HG2 THR 94 1HG2 THR 94 27.987 2.404 2.404 1713 2HG2 THR 94 3HG2 THR 94 29.314 1.860 1.860 1714 3HG2 THR 94 2HG2 THR 94 29.611 3.052 3.052 1715 H ASN 95 HN ASN 95 30.253 -2.003 -2.003 1716 HA ASN 95 HA ASN 95 29.812 -3.311 -3.311 1717 1HB ASN 95 2HB ASN 95 31.856 -3.357 -3.357 1718 2HB ASN 95 1HB ASN 95 32.458 -3.811 -3.811 1719 1HD2 ASN 95 2HD2 ASN 95 30.995 -6.694 -6.694 1720 2HD2 ASN 95 1HD2 ASN 95 32.000 -5.373 -5.373 1721 H THR 96 HN THR 96 30.791 -3.188 -3.188 1722 HA THR 96 HA THR 96 31.867 -0.589 -0.589 1723 HB THR 96 HB THR 96 31.678 -1.353 -1.353 1724 HG1 THR 96 1HG THR 96 30.909 -3.450 -3.450 1725 1HG2 THR 96 3HG2 THR 96 29.623 -0.550 -0.550 1726 2HG2 THR 96 2HG2 THR 96 29.219 -2.230 -2.230 1727 3HG2 THR 96 1HG2 THR 96 29.328 -1.680 -1.680 1728 HA PRO 97 HA PRO 97 36.136 -1.709 -1.709 1729 1HB PRO 97 2HB PRO 97 37.038 -0.188 -0.188 1730 2HB PRO 97 1HB PRO 97 36.641 0.476 0.476 1731 1HG PRO 97 2HG PRO 97 35.006 0.450 0.450 1732 2HG PRO 97 1HG PRO 97 35.232 1.758 1.758 1733 1HD PRO 97 2HD PRO 97 33.019 0.209 0.209 1734 2HD PRO 97 1HD PRO 97 33.695 0.870 0.870 1735 H ASP 98 HN ASP 98 37.800 -2.705 -2.705 1736 HA ASP 98 HA ASP 98 37.016 -4.924 -4.924 1737 1HB ASP 98 2HB ASP 98 39.563 -3.331 -3.331 1738 2HB ASP 98 1HB ASP 98 39.319 -4.948 -4.948 1739 H GLY 99 HN GLY 99 35.887 -5.160 -5.160 1740 1HA GLY 99 2HA GLY 99 34.995 -4.761 -4.761 1741 2HA GLY 99 1HA GLY 99 36.625 -4.267 -4.267 1742 H ALA 100 HN ALA 100 34.238 -2.788 -2.788 1743 HA ALA 100 HA ALA 100 34.808 -0.164 -0.164 1744 1HB ALA 100 3HB ALA 100 33.562 -1.162 -1.162 1745 2HB ALA 100 2HB ALA 100 32.158 -0.681 -0.681 1746 3HB ALA 100 1HB ALA 100 33.385 0.511 0.511 1747 H ALA 101 HN ALA 101 33.543 1.284 1.284 1748 HA ALA 101 HA ALA 101 32.543 0.300 0.300 1749 1HB ALA 101 1HB ALA 101 33.358 2.624 2.624 1750 2HB ALA 101 3HB ALA 101 31.826 2.954 2.954 1751 3HB ALA 101 2HB ALA 101 31.842 2.526 2.526 1752 H LYS 102 HN LYS 102 30.357 0.674 0.674 1753 HA LYS 102 HA LYS 102 28.397 -0.460 -0.460 1754 1HB LYS 102 2HB LYS 102 28.051 0.116 0.116 1755 2HB LYS 102 1HB LYS 102 27.077 -0.953 -0.953 1756 1HG LYS 102 2HG LYS 102 28.844 -2.531 -2.531 1757 2HG LYS 102 1HG LYS 102 29.997 -1.414 -1.414 1758 1HD LYS 102 2HD LYS 102 28.063 -1.540 -1.540 1759 2HD LYS 102 1HD LYS 102 28.015 -3.177 -3.177 1760 1HE LYS 102 2HE LYS 102 29.569 -3.083 -3.083 1761 2HE LYS 102 1HE LYS 102 30.447 -3.357 -3.357 1762 1HZ LYS 102 1HZ LYS 102 30.393 -0.644 -0.644 1763 2HZ LYS 102 3HZ LYS 102 30.637 -1.179 -1.179 1764 3HZ LYS 102 2HZ LYS 102 31.705 -1.649 -1.649 1765 H GLN 103 HN GLN 103 28.415 1.612 1.612 1766 HA GLN 103 HA GLN 103 26.050 3.043 3.043 1767 1HB GLN 103 2HB GLN 103 28.228 3.983 3.983 1768 2HB GLN 103 1HB GLN 103 27.963 5.162 5.162 1769 1HG GLN 103 2HG GLN 103 25.463 4.346 4.346 1770 2HG GLN 103 1HG GLN 103 26.578 4.923 4.923 1771 1HE2 GLN 103 2HE2 GLN 103 24.531 7.593 7.593 1772 2HE2 GLN 103 1HE2 GLN 103 24.093 5.962 5.962 1773 H PHE 104 HN PHE 104 25.464 4.208 4.208 1774 HA PHE 104 HA PHE 104 26.799 3.740 3.740 1775 1HB PHE 104 2HB PHE 104 24.427 4.199 4.199 1776 2HB PHE 104 1HB PHE 104 24.701 5.799 5.799 1777 HD1 PHE 104 1HD PHE 104 24.987 3.730 3.730 1778 HD2 PHE 104 2HD PHE 104 25.352 7.638 7.638 1779 HE1 PHE 104 1HE PHE 104 25.089 4.670 4.670 1780 HE2 PHE 104 2HE PHE 104 25.453 8.586 8.586 1781 HZ PHE 104 HZ PHE 104 25.321 7.102 7.102 1782 H ARG 105 HN ARG 105 28.588 4.616 4.616 1783 HA ARG 105 HA ARG 105 29.487 7.201 7.201 1784 1HB ARG 105 2HB ARG 105 30.852 4.850 4.850 1785 2HB ARG 105 1HB ARG 105 31.312 5.701 5.701 1786 1HG ARG 105 2HG ARG 105 32.946 6.457 6.457 1787 2HG ARG 105 1HG ARG 105 31.718 7.675 7.675 1788 1HD ARG 105 2HD ARG 105 30.972 6.214 6.214 1789 2HD ARG 105 1HD ARG 105 32.408 5.232 5.232 1790 HE ARG 105 HE ARG 105 33.367 7.771 7.771 1791 1HH1 ARG 105 1HH2 ARG 105 31.379 5.690 5.690 1792 2HH1 ARG 105 2HH2 ARG 105 31.921 6.367 6.367 1793 1HH2 ARG 105 1HH1 ARG 105 34.090 8.669 8.669 1794 2HH2 ARG 105 2HH1 ARG 105 33.463 8.060 8.060 1795 H ARG 106 HN ARG 106 30.400 8.771 8.771 1796 HA ARG 106 HA ARG 106 28.937 8.885 8.885 1797 1HB ARG 106 2HB ARG 106 29.076 10.775 10.775 1798 2HB ARG 106 1HB ARG 106 30.655 11.096 11.096 1799 1HG ARG 106 2HG ARG 106 29.157 11.013 11.013 1800 2HG ARG 106 1HG ARG 106 27.963 11.599 11.599 1801 1HD ARG 106 2HD ARG 106 29.230 13.501 13.501 1802 2HD ARG 106 1HD ARG 106 30.695 12.824 12.824 1803 HE ARG 106 HE ARG 106 30.015 13.601 13.601 1804 1HH1 ARG 106 1HH2 ARG 106 27.304 13.632 13.632 1805 2HH1 ARG 106 2HH2 ARG 106 26.264 14.477 14.477 1806 1HH2 ARG 106 1HH1 ARG 106 28.654 14.713 14.713 1807 2HH2 ARG 106 2HH1 ARG 106 27.030 15.090 15.090 1808 H GLU 107 HN GLU 107 32.163 8.542 8.542 1809 HA GLU 107 HA GLU 107 33.593 9.303 9.303 1810 1HB GLU 107 2HB GLU 107 35.486 8.183 8.183 1811 2HB GLU 107 1HB GLU 107 34.604 9.055 9.055 1812 1HG GLU 107 2HG GLU 107 34.235 7.202 7.202 1813 2HG GLU 107 1HG GLU 107 33.658 6.339 6.339 1814 H TRP 108 HN TRP 108 31.695 6.535 6.535 1815 HA TRP 108 HA TRP 108 32.993 4.604 4.604 1816 1HB TRP 108 2HB TRP 108 30.082 4.934 4.934 1817 2HB TRP 108 1HB TRP 108 30.724 3.518 3.518 1818 HD1 TRP 108 1HD TRP 108 33.458 4.036 4.036 1819 HE1 TRP 108 1HE TRP 108 33.261 2.852 2.852 1820 HE3 TRP 108 3HE TRP 108 28.423 3.152 3.152 1821 HZ2 TRP 108 2HZ TRP 108 31.239 1.697 1.697 1822 HZ3 TRP 108 3HZ TRP 108 27.436 2.002 2.002 1823 HH2 TRP 108 2HH TRP 108 28.816 1.290 1.290 1824 H PHE 109 HN PHE 109 31.313 7.430 7.430 1825 HA PHE 109 HA PHE 109 31.234 6.465 6.465 1826 1HB PHE 109 2HB PHE 109 29.334 8.529 8.529 1827 2HB PHE 109 1HB PHE 109 29.228 7.662 7.662 1828 HD1 PHE 109 1HD PHE 109 29.246 7.049 7.049 1829 HD2 PHE 109 2HD PHE 109 27.844 5.829 5.829 1830 HE1 PHE 109 1HE PHE 109 27.812 5.358 5.358 1831 HE2 PHE 109 2HE PHE 109 26.407 4.136 4.136 1832 HZ PHE 109 HZ PHE 109 26.390 3.899 3.899 1833 H GLN 110 HN GLN 110 33.526 7.572 7.572 1834 HA GLN 110 HA GLN 110 33.467 10.216 10.216 1835 1HB GLN 110 2HB GLN 110 34.999 11.136 11.136 1836 2HB GLN 110 1HB GLN 110 33.664 10.429 10.429 1837 1HG GLN 110 2HG GLN 110 35.003 9.022 9.022 1838 2HG GLN 110 1HG GLN 110 35.829 8.545 8.545 1839 1HE2 GLN 110 2HE2 GLN 110 37.324 11.543 11.543 1840 2HE2 GLN 110 1HE2 GLN 110 35.667 11.069 11.069 1841 H GLY 111 HN GLY 111 34.179 7.444 7.444 1842 1HA GLY 111 2HA GLY 111 36.899 8.088 8.088 1843 2HA GLY 111 1HA GLY 111 36.507 6.475 6.475 1844 H ASP 112 HN ASP 112 37.392 6.078 6.078 1845 HA ASP 112 HA ASP 112 35.291 6.401 6.401 1846 1HB ASP 112 2HB ASP 112 38.204 6.453 6.453 1847 2HB ASP 112 1HB ASP 112 37.528 5.353 5.353 1848 H GLY 113 HN GLY 113 34.527 4.634 4.634 1849 1HA GLY 113 2HA GLY 113 34.014 2.430 2.430 1850 2HA GLY 113 1HA GLY 113 35.533 1.992 1.992 1851 H MET 114 HN MET 114 33.717 0.237 0.237 1852 HA MET 114 HA MET 114 32.541 -0.835 -0.835 1853 1HB MET 114 2HB MET 114 34.275 1.067 1.067 1854 2HB MET 114 1HB MET 114 32.961 0.318 0.318 1855 1HG MET 114 2HG MET 114 33.919 -1.880 -1.880 1856 2HG MET 114 1HG MET 114 35.386 -0.911 -0.911 1857 1HE MET 114 3HE MET 114 34.116 -3.599 -3.599 1858 2HE MET 114 2HE MET 114 35.851 -3.408 -3.408 1859 3HE MET 114 1HE MET 114 35.208 -3.502 -3.502 1860 H VAL 115 HN VAL 115 30.770 -0.621 -0.621 1861 HA VAL 115 HA VAL 115 28.855 0.334 0.334 1862 HB VAL 115 HB VAL 115 29.419 2.900 2.900 1863 1HG1 VAL 115 3HG1 VAL 115 27.366 2.019 2.019 1864 2HG1 VAL 115 2HG1 VAL 115 28.343 3.120 3.120 1865 3HG1 VAL 115 1HG1 VAL 115 27.662 3.664 3.664 1866 1HG2 VAL 115 2HG2 VAL 115 31.069 1.702 1.702 1867 2HG2 VAL 115 1HG2 VAL 115 31.261 3.253 3.253 1868 3HG2 VAL 115 3HG2 VAL 115 30.302 3.148 3.148 1869 H ARG 116 HN ARG 116 27.070 -0.455 -0.455 1870 HA ARG 116 HA ARG 116 26.596 -0.080 -0.080 1871 1HB ARG 116 2HB ARG 116 26.358 -2.324 -2.324 1872 2HB ARG 116 1HB ARG 116 24.734 -1.895 -1.895 1873 1HG ARG 116 2HG ARG 116 25.627 -1.885 -1.885 1874 2HG ARG 116 1HG ARG 116 27.088 -2.629 -2.629 1875 1HD ARG 116 2HD ARG 116 25.538 -4.379 -4.379 1876 2HD ARG 116 1HD ARG 116 24.291 -3.721 -3.721 1877 HE ARG 116 HE ARG 116 25.292 -4.770 -4.770 1878 1HH1 ARG 116 1HH2 ARG 116 27.529 -4.651 -4.651 1879 2HH1 ARG 116 2HH2 ARG 116 28.703 -5.665 -5.665 1880 1HH2 ARG 116 1HH1 ARG 116 26.832 -6.103 -6.103 1881 2HH2 ARG 116 2HH1 ARG 116 28.307 -6.490 -6.490 1882 H ARG 117 HN ARG 117 24.588 0.625 0.625 1883 HA ARG 117 HA ARG 117 22.747 1.730 1.730 1884 1HB ARG 117 2HB ARG 117 22.477 3.749 3.749 1885 2HB ARG 117 1HB ARG 117 24.067 3.604 3.604 1886 1HG ARG 117 2HG ARG 117 24.912 2.663 2.663 1887 2HG ARG 117 1HG ARG 117 23.329 2.971 2.971 1888 1HD ARG 117 2HD ARG 117 24.805 4.781 4.781 1889 2HD ARG 117 1HD ARG 117 23.592 5.369 5.369 1890 HE ARG 117 HE ARG 117 25.750 4.608 4.608 1891 1HH1 ARG 117 1HH2 ARG 117 25.148 6.875 6.875 1892 2HH1 ARG 117 2HH2 ARG 117 26.357 7.996 7.996 1893 1HH2 ARG 117 1HH1 ARG 117 27.347 6.075 6.075 1894 2HH2 ARG 117 2HH1 ARG 117 27.608 7.540 7.540 1895 H LYS 118 HN LYS 118 20.614 1.600 1.600 1896 HA LYS 118 HA LYS 118 19.865 0.488 0.488 1897 1HB LYS 118 2HB LYS 118 19.022 -0.358 -0.358 1898 2HB LYS 118 1HB LYS 118 17.970 -0.635 -0.635 1899 1HG LYS 118 2HG LYS 118 19.665 -1.981 -1.981 1900 2HG LYS 118 1HG LYS 118 20.803 -1.632 -1.632 1901 1HD LYS 118 2HD LYS 118 19.913 -3.790 -3.790 1902 2HD LYS 118 1HD LYS 118 19.144 -2.689 -2.689 1903 1HE LYS 118 2HE LYS 118 17.365 -3.964 -3.964 1904 2HE LYS 118 1HE LYS 118 17.278 -2.513 -2.513 1905 1HZ LYS 118 1HZ LYS 118 18.932 -4.586 -4.586 1906 2HZ LYS 118 3HZ LYS 118 17.314 -5.047 -5.047 1907 3HZ LYS 118 2HZ LYS 118 17.706 -3.675 -3.675 1908 H ASN 119 HN ASN 119 17.516 0.778 0.778 1909 HA ASN 119 HA ASN 119 16.577 3.368 3.368 1910 1HB ASN 119 2HB ASN 119 16.770 2.363 2.363 1911 2HB ASN 119 1HB ASN 119 15.433 3.431 3.431 1912 1HD2 ASN 119 2HD2 ASN 119 19.191 4.845 4.845 1913 2HD2 ASN 119 1HD2 ASN 119 18.816 3.164 3.164 1914 H LEU 120 HN LEU 120 14.319 3.681 3.681 1915 HA LEU 120 HA LEU 120 12.626 1.320 1.320 1916 1HB LEU 120 2HB LEU 120 13.150 2.779 2.779 1917 2HB LEU 120 1HB LEU 120 11.604 1.996 1.996 1918 HG LEU 120 HG LEU 120 13.242 -0.049 -0.049 1919 1HD1 LEU 120 1HD1 LEU 120 14.709 1.564 1.564 1920 2HD1 LEU 120 3HD1 LEU 120 15.067 -0.106 -0.106 1921 3HD1 LEU 120 2HD1 LEU 120 15.279 1.183 1.183 1922 1HD2 LEU 120 1HD2 LEU 120 11.360 0.338 0.338 1923 2HD2 LEU 120 3HD2 LEU 120 12.484 -1.014 -1.014 1924 3HD2 LEU 120 2HD2 LEU 120 12.734 0.447 0.447 1925 HA PRO 121 HA PRO 121 10.640 5.040 5.040 1926 1HB PRO 121 2HB PRO 121 9.011 2.777 2.777 1927 2HB PRO 121 1HB PRO 121 9.660 4.188 4.188 1928 1HG PRO 121 2HG PRO 121 10.795 1.799 1.799 1929 2HG PRO 121 1HG PRO 121 11.783 3.267 3.267 1930 1HD PRO 121 2HD PRO 121 11.285 1.160 1.160 1931 2HD PRO 121 1HD PRO 121 12.757 2.099 2.099 1932 H ILE 122 HN ILE 122 8.859 6.112 6.112 1933 HA ILE 122 HA ILE 122 7.102 4.730 4.730 1934 HB ILE 122 HB ILE 122 7.369 7.715 7.715 1935 1HG1 ILE 122 2HG1 ILE 122 9.584 6.592 6.592 1936 2HG1 ILE 122 1HG1 ILE 122 9.044 7.749 7.749 1937 1HG2 ILE 122 2HG2 ILE 122 5.402 6.884 6.884 1938 2HG2 ILE 122 1HG2 ILE 122 6.441 5.971 5.971 1939 3HG2 ILE 122 3HG2 ILE 122 6.495 7.734 7.734 1940 1HD1 ILE 122 3HD1 ILE 122 8.291 4.925 4.925 1941 2HD1 ILE 122 2HD1 ILE 122 9.995 5.343 5.343 1942 3HD1 ILE 122 1HD1 ILE 122 8.775 6.163 6.163 1943 H GLU 123 HN GLU 123 4.915 4.711 4.711 1944 HA GLU 123 HA GLU 123 3.825 6.178 6.178 1945 1HB GLU 123 2HB GLU 123 3.448 3.265 3.265 1946 2HB GLU 123 1HB GLU 123 2.356 4.139 4.139 1947 1HG GLU 123 2HG GLU 123 5.112 4.531 4.531 1948 2HG GLU 123 1HG GLU 123 4.689 2.821 2.821 1949 H TYR 124 HN TYR 124 1.505 6.478 6.478 1950 HA TYR 124 HA TYR 124 0.433 6.448 6.448 1951 1HB TYR 124 2HB TYR 124 0.132 8.581 8.581 1952 2HB TYR 124 1HB TYR 124 -0.792 8.545 8.545 1953 HD1 TYR 124 2HD TYR 124 0.362 8.874 8.874 1954 HD2 TYR 124 1HD TYR 124 2.399 9.327 9.327 1955 HE1 TYR 124 2HE TYR 124 2.167 10.090 10.090 1956 HE2 TYR 124 1HE TYR 124 4.210 10.541 10.541 1957 HH TYR 124 HH TYR 124 4.463 11.907 11.907 1958 H ASN 125 HN ASN 125 -1.170 5.027 5.027 1959 HA ASN 125 HA ASN 125 -2.800 4.466 4.466 1960 1HB ASN 125 2HB ASN 125 -1.813 2.588 2.588 1961 2HB ASN 125 1HB ASN 125 -2.823 3.072 3.072 1962 1HD2 ASN 125 2HD2 ASN 125 -5.005 0.625 0.625 1963 2HD2 ASN 125 1HD2 ASN 125 -3.806 1.015 1.015 1964 H LEU 126 HN LEU 126 -4.119 6.279 6.279 1965 HA LEU 126 HA LEU 126 -5.580 7.255 7.255 1966 1HB LEU 126 2HB LEU 126 -6.063 7.670 7.670 1967 2HB LEU 126 1HB LEU 126 -6.803 8.596 8.596 1968 HG LEU 126 HG LEU 126 -3.822 8.510 8.510 1969 1HD1 LEU 126 1HD1 LEU 126 -5.278 9.207 9.207 1970 2HD1 LEU 126 3HD1 LEU 126 -5.101 10.756 10.756 1971 3HD1 LEU 126 2HD1 LEU 126 -3.671 9.820 9.820 1972 1HD2 LEU 126 2HD2 LEU 126 -4.926 9.533 9.533 1973 2HD2 LEU 126 1HD2 LEU 126 -4.007 10.706 10.706 1974 3HD2 LEU 126 3HD2 LEU 126 -5.766 10.647 10.647 Start of MODEL 10 1 1H ALA 1 3HN ALA 1 -43.760 9.035 9.035 2 2H ALA 1 2HN ALA 1 -44.421 7.813 7.813 3 3H ALA 1 1HN ALA 1 -44.806 7.849 7.849 4 HA ALA 1 HA ALA 1 -43.248 6.150 6.150 5 1HB ALA 1 3HB ALA 1 -42.018 8.243 8.243 6 2HB ALA 1 2HB ALA 1 -40.883 7.285 7.285 7 3HB ALA 1 1HB ALA 1 -41.981 6.488 6.488 8 H GLN 2 HN GLN 2 -41.414 9.135 9.135 9 HA GLN 2 HA GLN 2 -40.400 9.988 9.988 10 1HB GLN 2 2HB GLN 2 -42.862 8.804 8.804 11 2HB GLN 2 1HB GLN 2 -41.587 8.767 8.767 12 1HG GLN 2 2HG GLN 2 -41.615 10.990 10.990 13 2HG GLN 2 1HG GLN 2 -41.879 11.319 11.319 14 1HE2 GLN 2 2HE2 GLN 2 -45.474 10.785 10.785 15 2HE2 GLN 2 1HE2 GLN 2 -44.172 10.175 10.175 16 H SER 3 HN SER 3 -38.479 8.858 8.858 17 HA SER 3 HA SER 3 -37.661 6.983 6.983 18 1HB SER 3 2HB SER 3 -37.248 6.180 6.180 19 2HB SER 3 1HB SER 3 -37.019 5.203 5.203 20 HG SER 3 HG SER 3 -39.474 6.128 6.128 21 H VAL 4 HN VAL 4 -35.496 7.076 7.076 22 HA VAL 4 HA VAL 4 -33.803 8.642 8.642 23 HB VAL 4 HB VAL 4 -32.775 9.780 9.780 24 1HG1 VAL 4 3HG1 VAL 4 -35.418 10.239 10.239 25 2HG1 VAL 4 2HG1 VAL 4 -35.244 10.923 10.923 26 3HG1 VAL 4 1HG1 VAL 4 -34.122 11.386 11.386 27 1HG2 VAL 4 2HG2 VAL 4 -34.362 7.919 7.919 28 2HG2 VAL 4 1HG2 VAL 4 -33.198 9.090 9.090 29 3HG2 VAL 4 3HG2 VAL 4 -34.891 9.547 9.547 30 HA PRO 5 HA PRO 5 -31.335 4.901 4.901 31 1HB PRO 5 2HB PRO 5 -29.293 6.716 6.716 32 2HB PRO 5 1HB PRO 5 -29.731 5.065 5.065 33 1HG PRO 5 2HG PRO 5 -30.534 7.126 7.126 34 2HG PRO 5 1HG PRO 5 -31.606 5.744 5.744 35 1HD PRO 5 2HD PRO 5 -31.654 8.472 8.472 36 2HD PRO 5 1HD PRO 5 -33.005 7.404 7.404 37 HA PRO 6 HA PRO 6 -29.002 5.818 5.818 38 1HB PRO 6 2HB PRO 6 -27.115 3.885 3.885 39 2HB PRO 6 1HB PRO 6 -28.819 3.539 3.539 40 1HG PRO 6 2HG PRO 6 -27.268 3.234 3.234 41 2HG PRO 6 1HG PRO 6 -28.448 2.129 2.129 42 1HD PRO 6 2HD PRO 6 -29.067 3.817 3.817 43 2HD PRO 6 1HD PRO 6 -30.246 3.312 3.312 44 H GLY 7 HN GLY 7 -27.662 7.481 7.481 45 1HA GLY 7 2HA GLY 7 -25.862 8.436 8.436 46 2HA GLY 7 1HA GLY 7 -25.896 8.926 8.926 47 H ASP 8 HN ASP 8 -23.723 8.184 8.184 48 HA ASP 8 HA ASP 8 -22.430 5.844 5.844 49 1HB ASP 8 2HB ASP 8 -21.579 8.352 8.352 50 2HB ASP 8 1HB ASP 8 -20.325 7.275 7.275 51 H ILE 9 HN ILE 9 -21.248 5.309 5.309 52 HA ILE 9 HA ILE 9 -20.897 7.310 7.310 53 HB ILE 9 HB ILE 9 -20.269 5.380 5.380 54 1HG1 ILE 9 2HG1 ILE 9 -21.302 3.302 3.302 55 2HG1 ILE 9 1HG1 ILE 9 -19.938 4.095 4.095 56 1HG2 ILE 9 1HG2 ILE 9 -22.885 5.564 5.564 57 2HG2 ILE 9 3HG2 ILE 9 -22.611 4.221 4.221 58 3HG2 ILE 9 2HG2 ILE 9 -22.484 5.882 5.882 59 1HD1 ILE 9 1HD1 ILE 9 -18.855 3.766 3.766 60 2HD1 ILE 9 3HD1 ILE 9 -20.027 2.452 2.452 61 3HD1 ILE 9 2HD1 ILE 9 -18.832 2.496 2.496 62 H ASN 10 HN ASN 10 -19.033 8.339 8.339 63 HA ASN 10 HA ASN 10 -16.741 7.882 7.882 64 1HB ASN 10 2HB ASN 10 -17.529 9.631 9.631 65 2HB ASN 10 1HB ASN 10 -15.850 9.122 9.122 66 1HD2 ASN 10 2HD2 ASN 10 -16.773 10.965 10.965 67 2HD2 ASN 10 1HD2 ASN 10 -17.785 9.716 9.716 68 H THR 11 HN THR 11 -14.747 6.922 6.922 69 HA THR 11 HA THR 11 -14.593 5.249 5.249 70 HB THR 11 HB THR 11 -13.459 3.570 3.570 71 HG1 THR 11 1HG THR 11 -14.111 5.007 5.007 72 1HG2 THR 11 3HG2 THR 11 -15.549 3.343 3.343 73 2HG2 THR 11 2HG2 THR 11 -16.412 3.406 3.406 74 3HG2 THR 11 1HG2 THR 11 -15.196 2.160 2.160 75 H GLN 12 HN GLN 12 -12.466 4.627 4.627 76 HA GLN 12 HA GLN 12 -10.248 5.888 5.888 77 1HB GLN 12 2HB GLN 12 -11.340 6.787 6.787 78 2HB GLN 12 1HB GLN 12 -9.616 6.447 6.447 79 1HG GLN 12 2HG GLN 12 -9.093 8.106 8.106 80 2HG GLN 12 1HG GLN 12 -10.708 8.119 8.119 81 1HE2 GLN 12 2HE2 GLN 12 -10.310 11.174 11.174 82 2HE2 GLN 12 1HE2 GLN 12 -9.532 10.467 10.467 83 HA PRO 13 HA PRO 13 -8.401 5.181 5.181 84 1HB PRO 13 2HB PRO 13 -8.012 2.953 2.953 85 2HB PRO 13 1HB PRO 13 -6.785 3.646 3.646 86 1HG PRO 13 2HG PRO 13 -8.622 1.331 1.331 87 2HG PRO 13 1HG PRO 13 -6.902 1.498 1.498 88 1HD PRO 13 2HD PRO 13 -8.809 1.792 1.792 89 2HD PRO 13 1HD PRO 13 -7.336 2.783 2.783 90 H SER 14 HN SER 14 -9.212 5.295 5.295 91 HA SER 14 HA SER 14 -11.911 5.532 5.532 92 1HB SER 14 2HB SER 14 -10.281 6.410 6.410 93 2HB SER 14 1HB SER 14 -10.031 4.775 4.775 94 HG SER 14 HG SER 14 -11.873 4.873 4.873 95 H GLN 15 HN GLN 15 -10.080 2.773 2.773 96 HA GLN 15 HA GLN 15 -11.959 0.849 0.849 97 1HB GLN 15 2HB GLN 15 -12.820 0.174 0.174 98 2HB GLN 15 1HB GLN 15 -13.410 1.738 1.738 99 1HG GLN 15 2HG GLN 15 -11.654 2.811 2.811 100 2HG GLN 15 1HG GLN 15 -11.260 1.214 1.214 101 1HE2 GLN 15 2HE2 GLN 15 -13.599 2.923 2.923 102 2HE2 GLN 15 1HE2 GLN 15 -12.046 3.281 3.281 103 H LYS 16 HN LYS 16 -9.222 1.001 1.001 104 HA LYS 16 HA LYS 16 -8.408 -1.527 -1.527 105 1HB LYS 16 2HB LYS 16 -6.827 -1.036 -1.036 106 2HB LYS 16 1HB LYS 16 -8.389 -0.388 -0.388 107 1HG LYS 16 2HG LYS 16 -7.666 1.847 1.847 108 2HG LYS 16 1HG LYS 16 -6.088 1.184 1.184 109 1HD LYS 16 2HD LYS 16 -7.117 0.691 0.691 110 2HD LYS 16 1HD LYS 16 -6.524 2.307 2.307 111 1HE LYS 16 2HE LYS 16 -4.872 -0.065 -0.065 112 2HE LYS 16 1HE LYS 16 -4.907 0.469 0.469 113 1HZ LYS 16 3HZ LYS 16 -4.397 2.430 2.430 114 2HZ LYS 16 2HZ LYS 16 -3.142 1.416 1.416 115 3HZ LYS 16 1HZ LYS 16 -3.898 2.450 2.450 116 H ILE 17 HN ILE 17 -6.760 -2.187 -2.187 117 HA ILE 17 HA ILE 17 -4.981 -0.168 -0.168 118 HB ILE 17 HB ILE 17 -6.673 -0.789 -0.789 119 1HG1 ILE 17 2HG1 ILE 17 -4.034 -2.056 -2.056 120 2HG1 ILE 17 1HG1 ILE 17 -4.231 -0.314 -0.314 121 1HG2 ILE 17 1HG2 ILE 17 -5.607 -3.584 -3.584 122 2HG2 ILE 17 3HG2 ILE 17 -6.722 -3.080 -3.080 123 3HG2 ILE 17 2HG2 ILE 17 -7.221 -3.011 -3.011 124 1HD1 ILE 17 1HD1 ILE 17 -6.236 -0.776 -0.776 125 2HD1 ILE 17 3HD1 ILE 17 -5.203 -2.137 -2.137 126 3HD1 ILE 17 2HD1 ILE 17 -4.585 -0.488 -0.488 127 H VAL 18 HN VAL 18 -2.899 -0.968 -0.968 128 HA VAL 18 HA VAL 18 -2.188 -3.513 -3.513 129 HB VAL 18 HB VAL 18 -0.446 -1.056 -1.056 130 1HG1 VAL 18 3HG1 VAL 18 0.218 -3.777 -3.777 131 2HG1 VAL 18 2HG1 VAL 18 0.458 -2.955 -2.955 132 3HG1 VAL 18 1HG1 VAL 18 1.277 -2.371 -2.371 133 1HG2 VAL 18 3HG2 VAL 18 -2.345 -1.967 -1.967 134 2HG2 VAL 18 2HG2 VAL 18 -1.697 -0.357 -0.357 135 3HG2 VAL 18 1HG2 VAL 18 -0.754 -1.523 -1.523 136 H PHE 19 HN PHE 19 -2.280 -4.773 -4.773 137 HA PHE 19 HA PHE 19 -1.217 -4.122 -4.122 138 1HB PHE 19 2HB PHE 19 -1.785 -6.717 -6.717 139 2HB PHE 19 1HB PHE 19 -0.959 -6.723 -6.723 140 HD1 PHE 19 1HD PHE 19 -3.731 -4.579 -4.579 141 HD2 PHE 19 2HD PHE 19 -2.475 -7.533 -7.533 142 HE1 PHE 19 1HE PHE 19 -5.900 -4.410 -4.410 143 HE2 PHE 19 2HE PHE 19 -4.642 -7.369 -7.369 144 HZ PHE 19 HZ PHE 19 -6.359 -5.806 -5.806 145 H ASN 20 HN ASN 20 0.788 -3.181 -3.181 146 HA ASN 20 HA ASN 20 2.958 -4.230 -4.230 147 1HB ASN 20 2HB ASN 20 3.191 -2.369 -2.369 148 2HB ASN 20 1HB ASN 20 4.277 -2.512 -2.512 149 1HD2 ASN 20 2HD2 ASN 20 1.044 -0.115 -0.115 150 2HD2 ASN 20 1HD2 ASN 20 1.434 -1.083 -1.083 151 H ALA 21 HN ALA 21 4.643 -5.495 -5.495 152 HA ALA 21 HA ALA 21 4.306 -7.231 -7.231 153 1HB ALA 21 2HB ALA 21 5.498 -7.469 -7.469 154 2HB ALA 21 1HB ALA 21 6.879 -7.370 -7.370 155 3HB ALA 21 3HB ALA 21 5.655 -8.616 -8.616 156 HA PRO 22 HA PRO 22 6.756 -8.677 -8.677 157 1HB PRO 22 2HB PRO 22 7.155 -9.430 -9.430 158 2HB PRO 22 1HB PRO 22 8.458 -8.892 -8.892 159 1HG PRO 22 2HG PRO 22 6.958 -7.352 -7.352 160 2HG PRO 22 1HG PRO 22 8.701 -7.378 -7.378 161 1HD PRO 22 2HD PRO 22 7.122 -5.377 -5.377 162 2HD PRO 22 1HD PRO 22 8.503 -5.958 -5.958 163 H TYR 23 HN TYR 23 5.521 -10.519 -10.519 164 HA TYR 23 HA TYR 23 2.883 -9.702 -9.702 165 1HB TYR 23 2HB TYR 23 3.652 -12.066 -12.066 166 2HB TYR 23 1HB TYR 23 2.025 -11.733 -11.733 167 HD1 TYR 23 2HD TYR 23 2.050 -8.743 -8.743 168 HD2 TYR 23 1HD TYR 23 3.306 -11.887 -11.887 169 HE1 TYR 23 2HE TYR 23 1.640 -7.303 -7.303 170 HE2 TYR 23 1HE TYR 23 2.897 -10.455 -10.455 171 HH TYR 23 HH TYR 23 2.854 -7.720 -7.720 172 H ASP 24 HN ASP 24 4.848 -10.091 -10.091 173 HA ASP 24 HA ASP 24 4.034 -12.635 -12.635 174 1HB ASP 24 2HB ASP 24 6.717 -11.356 -11.356 175 2HB ASP 24 1HB ASP 24 6.346 -12.240 -12.240 176 H ASP 25 HN ASP 25 3.425 -9.482 -9.482 177 HA ASP 25 HA ASP 25 3.151 -9.555 -9.555 178 1HB ASP 25 2HB ASP 25 4.255 -7.315 -7.315 179 2HB ASP 25 1HB ASP 25 3.568 -7.020 -7.020 180 H LYS 26 HN LYS 26 1.281 -8.690 -8.690 181 HA LYS 26 HA LYS 26 -0.966 -8.589 -8.589 182 1HB LYS 26 2HB LYS 26 -0.763 -7.517 -7.517 183 2HB LYS 26 1HB LYS 26 -2.231 -7.991 -7.991 184 1HG LYS 26 2HG LYS 26 -1.963 -10.146 -10.146 185 2HG LYS 26 1HG LYS 26 -0.238 -10.115 -10.115 186 1HD LYS 26 2HD LYS 26 0.309 -9.299 -9.299 187 2HD LYS 26 1HD LYS 26 -1.374 -8.911 -8.911 188 1HE LYS 26 2HE LYS 26 -1.926 -11.294 -11.294 189 2HE LYS 26 1HE LYS 26 -0.246 -11.682 -11.682 190 1HZ LYS 26 2HZ LYS 26 0.368 -10.601 -10.601 191 2HZ LYS 26 1HZ LYS 26 -1.274 -10.409 -10.409 192 3HZ LYS 26 3HZ LYS 26 -0.615 -11.960 -11.960 193 H HIS 27 HN HIS 27 -1.475 -7.019 -7.019 194 HA HIS 27 HA HIS 27 -0.815 -4.243 -4.243 195 1HB HIS 27 2HB HIS 27 -0.983 -5.522 -5.522 196 2HB HIS 27 1HB HIS 27 -0.814 -3.791 -3.791 197 HD1 HIS 27 1HD HIS 27 1.325 -4.135 -4.135 198 HD2 HIS 27 2HD HIS 27 1.492 -5.836 -5.836 199 HE1 HIS 27 1HE HIS 27 3.764 -4.636 -4.636 200 H THR 28 HN THR 28 -2.647 -3.436 -3.436 201 HA THR 28 HA THR 28 -5.232 -4.123 -4.123 202 HB THR 28 HB THR 28 -4.555 -2.141 -2.141 203 HG1 THR 28 1HG THR 28 -4.119 -3.845 -3.845 204 1HG2 THR 28 3HG2 THR 28 -6.840 -1.948 -1.948 205 2HG2 THR 28 2HG2 THR 28 -7.136 -3.608 -3.608 206 3HG2 THR 28 1HG2 THR 28 -6.798 -2.358 -2.358 207 H TYR 29 HN TYR 29 -5.620 -3.220 -3.220 208 HA TYR 29 HA TYR 29 -4.887 -0.449 -0.449 209 1HB TYR 29 2HB TYR 29 -6.105 -2.588 -2.588 210 2HB TYR 29 1HB TYR 29 -5.825 -0.938 -0.938 211 HD1 TYR 29 2HD TYR 29 -3.519 -0.095 -0.095 212 HD2 TYR 29 1HD TYR 29 -4.299 -4.150 -4.150 213 HE1 TYR 29 2HE TYR 29 -1.214 -0.688 -0.688 214 HE2 TYR 29 1HE TYR 29 -1.997 -4.755 -4.755 215 HH TYR 29 HH TYR 29 0.093 -2.585 -2.585 216 H HIS 30 HN HIS 30 -6.216 1.151 1.151 217 HA HIS 30 HA HIS 30 -9.027 0.606 0.606 218 1HB HIS 30 2HB HIS 30 -7.359 3.093 3.093 219 2HB HIS 30 1HB HIS 30 -9.063 2.961 2.961 220 HD1 HIS 30 1HD HIS 30 -5.828 1.113 1.113 221 HD2 HIS 30 2HD HIS 30 -9.458 2.239 2.239 222 HE1 HIS 30 1HE HIS 30 -5.746 0.387 0.387 223 H ILE 31 HN ILE 31 -10.698 1.281 1.281 224 HA ILE 31 HA ILE 31 -10.085 2.888 2.888 225 HB ILE 31 HB ILE 31 -12.227 0.772 0.772 226 1HG1 ILE 31 2HG1 ILE 31 -9.742 0.542 0.542 227 2HG1 ILE 31 1HG1 ILE 31 -9.733 0.038 0.038 228 1HG2 ILE 31 3HG2 ILE 31 -12.174 2.888 2.888 229 2HG2 ILE 31 2HG2 ILE 31 -11.275 1.703 1.703 230 3HG2 ILE 31 1HG2 ILE 31 -12.909 1.335 1.335 231 1HD1 ILE 31 3HD1 ILE 31 -11.706 -1.433 -1.433 232 2HD1 ILE 31 2HD1 ILE 31 -11.347 -1.083 -1.083 233 3HD1 ILE 31 1HD1 ILE 31 -10.149 -1.898 -1.898 234 H LYS 32 HN LYS 32 -11.292 4.672 4.672 235 HA LYS 32 HA LYS 32 -13.363 5.274 5.274 236 1HB LYS 32 2HB LYS 32 -11.284 6.784 6.784 237 2HB LYS 32 1HB LYS 32 -12.753 7.442 7.442 238 1HG LYS 32 2HG LYS 32 -13.622 7.460 7.460 239 2HG LYS 32 1HG LYS 32 -11.913 7.349 7.349 240 1HD LYS 32 2HD LYS 32 -11.516 9.347 9.347 241 2HD LYS 32 1HD LYS 32 -13.268 9.503 9.503 242 1HE LYS 32 2HE LYS 32 -11.656 9.642 9.642 243 2HE LYS 32 1HE LYS 32 -12.462 10.984 10.984 244 1HZ LYS 32 3HZ LYS 32 -14.468 9.215 9.215 245 2HZ LYS 32 2HZ LYS 32 -13.551 8.982 8.982 246 3HZ LYS 32 1HZ LYS 32 -14.137 10.522 10.522 247 H ILE 33 HN ILE 33 -15.448 5.712 5.712 248 HA ILE 33 HA ILE 33 -16.232 5.662 5.662 249 HB ILE 33 HB ILE 33 -17.713 4.194 4.194 250 1HG1 ILE 33 2HG1 ILE 33 -16.343 2.835 2.835 251 2HG1 ILE 33 1HG1 ILE 33 -15.400 3.298 3.298 252 1HG2 ILE 33 2HG2 ILE 33 -18.196 4.632 4.632 253 2HG2 ILE 33 1HG2 ILE 33 -18.798 3.177 3.177 254 3HG2 ILE 33 3HG2 ILE 33 -19.318 4.764 4.764 255 1HD1 ILE 33 3HD1 ILE 33 -17.916 1.746 1.746 256 2HD1 ILE 33 2HD1 ILE 33 -16.449 0.926 0.926 257 3HD1 ILE 33 1HD1 ILE 33 -16.463 1.793 1.793 258 H THR 34 HN THR 34 -18.054 6.894 6.894 259 HA THR 34 HA THR 34 -19.469 8.287 8.287 260 HB THR 34 HB THR 34 -17.790 9.728 9.728 261 HG1 THR 34 1HG THR 34 -16.479 9.890 9.890 262 1HG2 THR 34 1HG2 THR 34 -19.984 10.834 10.834 263 2HG2 THR 34 3HG2 THR 34 -19.677 10.975 10.975 264 3HG2 THR 34 2HG2 THR 34 -18.633 11.809 11.809 265 H ASN 35 HN ASN 35 -21.348 9.424 9.424 266 HA ASN 35 HA ASN 35 -22.455 8.231 8.231 267 1HB ASN 35 2HB ASN 35 -23.542 8.315 8.315 268 2HB ASN 35 1HB ASN 35 -24.142 9.857 9.857 269 1HD2 ASN 35 2HD2 ASN 35 -26.858 7.936 7.936 270 2HD2 ASN 35 1HD2 ASN 35 -26.257 9.006 9.006 271 H ALA 36 HN ALA 36 -22.215 9.409 9.409 272 HA ALA 36 HA ALA 36 -22.087 12.315 12.315 273 1HB ALA 36 2HB ALA 36 -20.549 10.758 10.758 274 2HB ALA 36 1HB ALA 36 -21.881 10.790 10.790 275 3HB ALA 36 3HB ALA 36 -21.091 12.292 12.292 276 H GLY 37 HN GLY 37 -24.617 10.606 10.606 277 1HA GLY 37 2HA GLY 37 -26.166 11.804 11.804 278 2HA GLY 37 1HA GLY 37 -26.657 10.391 10.391 279 H GLY 38 HN GLY 38 -28.585 11.088 11.088 280 1HA GLY 38 2HA GLY 38 -28.452 13.109 13.109 281 2HA GLY 38 1HA GLY 38 -29.530 13.463 13.463 282 H ARG 39 HN ARG 39 -28.799 10.525 10.525 283 HA ARG 39 HA ARG 39 -31.252 10.447 10.447 284 1HB ARG 39 2HB ARG 39 -31.323 9.484 9.484 285 2HB ARG 39 1HB ARG 39 -31.725 8.200 8.200 286 1HG ARG 39 2HG ARG 39 -33.534 9.456 9.456 287 2HG ARG 39 1HG ARG 39 -33.044 10.902 10.902 288 1HD ARG 39 2HD ARG 39 -34.862 9.996 9.996 289 2HD ARG 39 1HD ARG 39 -33.417 9.573 9.573 290 HE ARG 39 HE ARG 39 -34.282 7.553 7.553 291 1HH1 ARG 39 1HH2 ARG 39 -34.560 8.801 8.801 292 2HH1 ARG 39 2HH2 ARG 39 -35.094 7.296 7.296 293 1HH2 ARG 39 1HH1 ARG 39 -34.987 5.568 5.568 294 2HH2 ARG 39 2HH1 ARG 39 -35.337 5.458 5.458 295 H ARG 40 HN ARG 40 -31.712 8.041 8.041 296 HA ARG 40 HA ARG 40 -29.277 7.138 7.138 297 1HB ARG 40 2HB ARG 40 -31.700 7.160 7.160 298 2HB ARG 40 1HB ARG 40 -31.866 5.629 5.629 299 1HG ARG 40 2HG ARG 40 -30.003 4.707 4.707 300 2HG ARG 40 1HG ARG 40 -29.780 6.251 6.251 301 1HD ARG 40 2HD ARG 40 -31.983 4.250 4.250 302 2HD ARG 40 1HD ARG 40 -31.011 5.024 5.024 303 HE ARG 40 HE ARG 40 -33.434 6.017 6.017 304 1HH1 ARG 40 1HH2 ARG 40 -30.464 6.908 6.908 305 2HH1 ARG 40 2HH2 ARG 40 -31.085 8.405 8.405 306 1HH2 ARG 40 1HH1 ARG 40 -34.264 7.986 7.986 307 2HH2 ARG 40 2HH1 ARG 40 -33.247 9.018 9.018 308 H ILE 41 HN ILE 41 -28.348 5.051 5.051 309 HA ILE 41 HA ILE 41 -29.204 3.376 3.376 310 HB ILE 41 HB ILE 41 -26.788 3.215 3.215 311 1HG1 ILE 41 2HG1 ILE 41 -26.439 5.975 5.975 312 2HG1 ILE 41 1HG1 ILE 41 -26.103 4.595 4.595 313 1HG2 ILE 41 3HG2 ILE 41 -28.754 4.500 4.500 314 2HG2 ILE 41 2HG2 ILE 41 -27.906 5.941 5.941 315 3HG2 ILE 41 1HG2 ILE 41 -27.113 4.829 4.829 316 1HD1 ILE 41 1HD1 ILE 41 -24.884 4.571 4.571 317 2HD1 ILE 41 3HD1 ILE 41 -24.256 5.738 5.738 318 3HD1 ILE 41 2HD1 ILE 41 -24.242 4.017 4.017 319 H GLY 42 HN GLY 42 -27.874 1.347 1.347 320 1HA GLY 42 2HA GLY 42 -26.841 0.563 0.563 321 2HA GLY 42 1HA GLY 42 -28.018 -0.443 -0.443 322 H TRP 43 HN TRP 43 -24.727 0.257 0.257 323 HA TRP 43 HA TRP 43 -23.991 -1.197 -1.197 324 1HB TRP 43 2HB TRP 43 -21.721 -0.319 -0.319 325 2HB TRP 43 1HB TRP 43 -22.913 0.971 0.971 326 HD1 TRP 43 1HD TRP 43 -23.678 2.095 2.095 327 HE1 TRP 43 1HE TRP 43 -22.271 2.491 2.491 328 HE3 TRP 43 3HE TRP 43 -19.860 -1.173 -1.173 329 HZ2 TRP 43 2HZ TRP 43 -19.861 1.544 1.544 330 HZ3 TRP 43 3HZ TRP 43 -18.044 -1.368 -1.368 331 HH2 TRP 43 2HH TRP 43 -18.046 -0.037 -0.037 332 H ALA 44 HN ALA 44 -22.234 -2.733 -2.733 333 HA ALA 44 HA ALA 44 -21.572 -3.929 -3.929 334 1HB ALA 44 3HB ALA 44 -23.755 -4.936 -4.936 335 2HB ALA 44 2HB ALA 44 -23.246 -5.478 -5.478 336 3HB ALA 44 1HB ALA 44 -22.482 -6.146 -6.146 337 H ILE 45 HN ILE 45 -19.729 -5.190 -5.190 338 HA ILE 45 HA ILE 45 -18.350 -5.110 -5.110 339 HB ILE 45 HB ILE 45 -17.098 -5.835 -5.835 340 1HG1 ILE 45 2HG1 ILE 45 -18.172 -3.656 -3.656 341 2HG1 ILE 45 1HG1 ILE 45 -16.422 -3.471 -3.471 342 1HG2 ILE 45 1HG2 ILE 45 -16.140 -5.143 -5.143 343 2HG2 ILE 45 3HG2 ILE 45 -15.157 -4.655 -4.655 344 3HG2 ILE 45 2HG2 ILE 45 -15.548 -6.358 -6.358 345 1HD1 ILE 45 2HD1 ILE 45 -18.300 -3.005 -3.005 346 2HD1 ILE 45 1HD1 ILE 45 -17.628 -1.748 -1.748 347 3HD1 ILE 45 3HD1 ILE 45 -16.561 -2.714 -2.714 348 H LYS 46 HN LYS 46 -17.154 -6.917 -6.917 349 HA LYS 46 HA LYS 46 -17.675 -9.520 -9.520 350 1HB LYS 46 2HB LYS 46 -18.632 -8.749 -8.749 351 2HB LYS 46 1HB LYS 46 -18.462 -10.415 -10.415 352 1HG LYS 46 2HG LYS 46 -20.143 -8.458 -8.458 353 2HG LYS 46 1HG LYS 46 -20.775 -9.332 -9.332 354 1HD LYS 46 2HD LYS 46 -19.379 -11.013 -11.013 355 2HD LYS 46 1HD LYS 46 -20.840 -10.238 -10.238 356 1HE LYS 46 2HE LYS 46 -22.054 -11.110 -11.110 357 2HE LYS 46 1HE LYS 46 -20.598 -12.011 -12.011 358 1HZ LYS 46 2HZ LYS 46 -20.789 -12.998 -12.998 359 2HZ LYS 46 1HZ LYS 46 -22.363 -12.382 -12.382 360 3HZ LYS 46 3HZ LYS 46 -21.918 -13.515 -13.515 361 H THR 47 HN THR 47 -15.975 -10.847 -10.847 362 HA THR 47 HA THR 47 -13.961 -10.109 -10.109 363 HB THR 47 HB THR 47 -12.208 -10.619 -10.619 364 HG1 THR 47 1HG THR 47 -14.191 -11.749 -11.749 365 1HG2 THR 47 3HG2 THR 47 -14.283 -8.854 -8.854 366 2HG2 THR 47 2HG2 THR 47 -13.300 -9.536 -9.536 367 3HG2 THR 47 1HG2 THR 47 -12.532 -8.649 -8.649 368 H THR 48 HN THR 48 -12.807 -11.791 -11.791 369 HA THR 48 HA THR 48 -14.280 -14.074 -14.074 370 HB THR 48 HB THR 48 -11.907 -14.886 -14.886 371 HG1 THR 48 1HG THR 48 -10.911 -13.188 -13.188 372 1HG2 THR 48 2HG2 THR 48 -13.807 -13.781 -13.781 373 2HG2 THR 48 1HG2 THR 48 -12.779 -12.350 -12.350 374 3HG2 THR 48 3HG2 THR 48 -12.173 -13.836 -13.836 375 H ASN 49 HN ASN 49 -11.894 -13.491 -13.491 376 HA ASN 49 HA ASN 49 -12.378 -16.207 -16.207 377 1HB ASN 49 2HB ASN 49 -9.793 -14.795 -14.795 378 2HB ASN 49 1HB ASN 49 -9.924 -15.816 -15.816 379 1HD2 ASN 49 2HD2 ASN 49 -9.473 -18.755 -18.755 380 2HD2 ASN 49 1HD2 ASN 49 -9.532 -17.901 -17.901 381 H MET 50 HN MET 50 -13.581 -15.936 -15.936 382 HA MET 50 HA MET 50 -13.125 -13.613 -13.613 383 1HB MET 50 2HB MET 50 -15.328 -15.681 -15.681 384 2HB MET 50 1HB MET 50 -15.250 -14.194 -14.194 385 1HG MET 50 2HG MET 50 -15.010 -13.582 -13.582 386 2HG MET 50 1HG MET 50 -16.422 -14.603 -14.603 387 1HE MET 50 2HE MET 50 -14.449 -11.695 -11.695 388 2HE MET 50 1HE MET 50 -15.680 -10.645 -10.645 389 3HE MET 50 3HE MET 50 -15.284 -12.178 -12.178 390 H ARG 51 HN ARG 51 -11.339 -16.003 -16.003 391 HA ARG 51 HA ARG 51 -11.591 -16.930 -16.930 392 1HB ARG 51 2HB ARG 51 -9.826 -18.246 -18.246 393 2HB ARG 51 1HB ARG 51 -10.539 -18.933 -18.933 394 1HG ARG 51 2HG ARG 51 -12.684 -18.133 -18.133 395 2HG ARG 51 1HG ARG 51 -11.526 -18.949 -18.949 396 1HD ARG 51 2HD ARG 51 -13.188 -20.488 -20.488 397 2HD ARG 51 1HD ARG 51 -11.528 -20.891 -20.891 398 HE ARG 51 HE ARG 51 -12.044 -20.485 -20.485 399 1HH1 ARG 51 1HH2 ARG 51 -14.494 -19.058 -19.058 400 2HH1 ARG 51 2HH2 ARG 51 -15.528 -18.639 -18.639 401 1HH2 ARG 51 1HH1 ARG 51 -13.397 -19.939 -19.939 402 2HH2 ARG 51 2HH1 ARG 51 -14.903 -19.140 -19.140 403 H ARG 52 HN ARG 52 -9.099 -16.149 -16.149 404 HA ARG 52 HA ARG 52 -7.149 -15.640 -15.640 405 1HB ARG 52 2HB ARG 52 -7.127 -15.862 -15.862 406 2HB ARG 52 1HB ARG 52 -5.908 -14.816 -14.816 407 1HG ARG 52 2HG ARG 52 -4.811 -16.544 -16.544 408 2HG ARG 52 1HG ARG 52 -6.267 -17.532 -17.532 409 1HD ARG 52 2HD ARG 52 -5.970 -17.312 -17.312 410 2HD ARG 52 1HD ARG 52 -4.297 -17.371 -17.371 411 HE ARG 52 HE ARG 52 -6.223 -19.508 -19.508 412 1HH1 ARG 52 1HH2 ARG 52 -3.281 -18.251 -18.251 413 2HH1 ARG 52 2HH2 ARG 52 -2.720 -19.797 -19.797 414 1HH2 ARG 52 1HH1 ARG 52 -5.494 -21.551 -21.551 415 2HH2 ARG 52 2HH1 ARG 52 -3.979 -21.674 -21.674 416 H LEU 53 HN LEU 53 -9.294 -13.829 -13.829 417 HA LEU 53 HA LEU 53 -8.014 -11.299 -11.299 418 1HB LEU 53 2HB LEU 53 -10.316 -11.953 -11.953 419 2HB LEU 53 1HB LEU 53 -9.750 -10.325 -10.325 420 HG LEU 53 HG LEU 53 -8.108 -12.522 -12.522 421 1HD1 LEU 53 3HD1 LEU 53 -9.641 -10.207 -10.207 422 2HD1 LEU 53 2HD1 LEU 53 -8.285 -10.945 -10.945 423 3HD1 LEU 53 1HD1 LEU 53 -9.707 -11.910 -11.910 424 1HD2 LEU 53 3HD2 LEU 53 -7.445 -9.905 -9.905 425 2HD2 LEU 53 2HD2 LEU 53 -6.396 -11.257 -11.257 426 3HD2 LEU 53 1HD2 LEU 53 -6.915 -10.120 -10.120 427 H SER 54 HN SER 54 -9.253 -9.544 -9.544 428 HA SER 54 HA SER 54 -11.726 -10.245 -10.245 429 1HB SER 54 2HB SER 54 -10.457 -8.909 -8.909 430 2HB SER 54 1HB SER 54 -10.572 -10.666 -10.666 431 HG SER 54 HG SER 54 -8.431 -10.153 -10.153 432 H VAL 55 HN VAL 55 -13.079 -8.530 -8.530 433 HA VAL 55 HA VAL 55 -12.085 -5.833 -5.833 434 HB VAL 55 HB VAL 55 -12.925 -6.433 -6.433 435 1HG1 VAL 55 1HG1 VAL 55 -15.367 -7.506 -7.506 436 2HG1 VAL 55 3HG1 VAL 55 -15.175 -7.381 -7.381 437 3HG1 VAL 55 2HG1 VAL 55 -14.119 -8.446 -8.446 438 1HG2 VAL 55 2HG2 VAL 55 -13.657 -4.221 -4.221 439 2HG2 VAL 55 1HG2 VAL 55 -14.797 -4.936 -4.936 440 3HG2 VAL 55 3HG2 VAL 55 -15.157 -4.941 -4.941 441 H ASP 56 HN ASP 56 -13.586 -4.157 -4.157 442 HA ASP 56 HA ASP 56 -15.891 -4.614 -4.614 443 1HB ASP 56 2HB ASP 56 -13.720 -5.389 -5.389 444 2HB ASP 56 1HB ASP 56 -13.828 -3.695 -3.695 445 HA PRO 57 HA PRO 57 -17.430 -3.530 -3.530 446 1HB PRO 57 2HB PRO 57 -19.469 -2.039 -2.039 447 2HB PRO 57 1HB PRO 57 -18.597 -1.613 -1.613 448 1HG PRO 57 2HG PRO 57 -18.285 -0.513 -0.513 449 2HG PRO 57 1HG PRO 57 -18.316 0.348 0.348 450 1HD PRO 57 2HD PRO 57 -16.015 -0.252 -0.252 451 2HD PRO 57 1HD PRO 57 -16.109 -0.107 -0.107 452 HA PRO 58 HA PRO 58 -18.108 -5.757 -5.757 453 1HB PRO 58 2HB PRO 58 -20.145 -7.354 -7.354 454 2HB PRO 58 1HB PRO 58 -18.493 -7.575 -7.575 455 1HG PRO 58 2HG PRO 58 -20.820 -6.245 -6.245 456 2HG PRO 58 1HG PRO 58 -19.623 -7.356 -7.356 457 1HD PRO 58 2HD PRO 58 -19.499 -4.656 -4.656 458 2HD PRO 58 1HD PRO 58 -18.060 -5.695 -5.695 459 H CYS 59 HN CYS 59 -20.465 -3.673 -3.673 460 HA CYS 59 HA CYS 59 -21.543 -2.882 -2.882 461 1HB CYS 59 2HB CYS 59 -23.887 -3.851 -3.851 462 2HB CYS 59 1HB CYS 59 -22.650 -4.949 -4.949 463 HG CYS 59 HG CYS 59 -22.864 -5.218 -5.218 464 H GLY 60 HN GLY 60 -23.700 -1.648 -1.648 465 1HA GLY 60 2HA GLY 60 -24.647 -0.859 -0.859 466 2HA GLY 60 1HA GLY 60 -23.269 0.182 0.182 467 H VAL 61 HN VAL 61 -25.539 1.472 1.472 468 HA VAL 61 HA VAL 61 -26.622 1.958 1.958 469 HB VAL 61 HB VAL 61 -27.787 2.891 2.891 470 1HG1 VAL 61 3HG1 VAL 61 -28.285 3.838 3.838 471 2HG1 VAL 61 2HG1 VAL 61 -29.467 2.533 2.533 472 3HG1 VAL 61 1HG1 VAL 61 -29.472 3.813 3.813 473 1HG2 VAL 61 1HG2 VAL 61 -27.661 0.266 0.266 474 2HG2 VAL 61 3HG2 VAL 61 -28.743 0.906 0.906 475 3HG2 VAL 61 2HG2 VAL 61 -29.278 0.817 0.817 476 H LEU 62 HN LEU 62 -25.721 3.607 3.607 477 HA LEU 62 HA LEU 62 -24.401 5.731 5.731 478 1HB LEU 62 2HB LEU 62 -23.868 4.483 4.483 479 2HB LEU 62 1HB LEU 62 -24.593 5.987 5.987 480 HG LEU 62 HG LEU 62 -22.918 7.232 7.232 481 1HD1 LEU 62 3HD1 LEU 62 -21.943 4.450 4.450 482 2HD1 LEU 62 2HD1 LEU 62 -20.873 5.849 5.849 483 3HD1 LEU 62 1HD1 LEU 62 -22.287 5.749 5.749 484 1HD2 LEU 62 2HD2 LEU 62 -22.664 6.525 6.525 485 2HD2 LEU 62 1HD2 LEU 62 -21.229 7.082 7.082 486 3HD2 LEU 62 3HD2 LEU 62 -21.490 5.356 5.356 487 H ASP 63 HN ASP 63 -24.712 8.017 8.017 488 HA ASP 63 HA ASP 63 -27.549 8.531 8.531 489 1HB ASP 63 2HB ASP 63 -26.124 9.204 9.204 490 2HB ASP 63 1HB ASP 63 -26.548 10.691 10.691 491 HA PRO 64 HA PRO 64 -26.437 11.560 11.560 492 1HB PRO 64 2HB PRO 64 -27.517 13.822 13.822 493 2HB PRO 64 1HB PRO 64 -27.993 13.232 13.232 494 1HG PRO 64 2HG PRO 64 -29.544 12.837 12.837 495 2HG PRO 64 1HG PRO 64 -29.396 11.612 11.612 496 1HD PRO 64 2HD PRO 64 -28.119 11.704 11.704 497 2HD PRO 64 1HD PRO 64 -28.799 10.318 10.318 498 H LYS 65 HN LYS 65 -24.326 11.985 11.985 499 HA LYS 65 HA LYS 65 -22.295 12.987 12.987 500 1HB LYS 65 2HB LYS 65 -23.715 15.018 15.018 501 2HB LYS 65 1HB LYS 65 -22.188 15.230 15.230 502 1HG LYS 65 2HG LYS 65 -24.473 14.500 14.500 503 2HG LYS 65 1HG LYS 65 -24.569 16.085 16.085 504 1HD LYS 65 2HD LYS 65 -21.930 15.711 15.711 505 2HD LYS 65 1HD LYS 65 -23.091 15.337 15.337 506 1HE LYS 65 2HE LYS 65 -24.212 17.569 17.569 507 2HE LYS 65 1HE LYS 65 -22.557 17.901 17.901 508 1HZ LYS 65 1HZ LYS 65 -23.395 17.215 17.215 509 2HZ LYS 65 3HZ LYS 65 -23.022 18.770 18.770 510 3HZ LYS 65 2HZ LYS 65 -21.820 17.581 17.581 511 H GLU 66 HN GLU 66 -23.140 10.949 10.949 512 HA GLU 66 HA GLU 66 -21.812 11.757 11.757 513 1HB GLU 66 2HB GLU 66 -23.876 9.824 9.824 514 2HB GLU 66 1HB GLU 66 -22.620 9.120 9.120 515 1HG GLU 66 2HG GLU 66 -23.250 11.614 11.614 516 2HG GLU 66 1HG GLU 66 -24.781 10.835 10.835 517 H LYS 67 HN LYS 67 -20.048 10.631 10.631 518 HA LYS 67 HA LYS 67 -18.562 9.024 9.024 519 1HB LYS 67 2HB LYS 67 -17.338 10.561 10.561 520 2HB LYS 67 1HB LYS 67 -16.528 9.880 9.880 521 1HG LYS 67 2HG LYS 67 -17.919 11.505 11.505 522 2HG LYS 67 1HG LYS 67 -18.291 12.302 12.302 523 1HD LYS 67 2HD LYS 67 -15.568 12.002 12.002 524 2HD LYS 67 1HD LYS 67 -15.835 12.327 12.327 525 1HE LYS 67 2HE LYS 67 -16.817 14.013 14.013 526 2HE LYS 67 1HE LYS 67 -15.454 14.392 14.392 527 1HZ LYS 67 3HZ LYS 67 -17.223 14.171 14.171 528 2HZ LYS 67 2HZ LYS 67 -18.332 14.432 14.432 529 3HZ LYS 67 1HZ LYS 67 -17.150 15.594 15.594 530 H VAL 68 HN VAL 68 -17.215 7.319 7.319 531 HA VAL 68 HA VAL 68 -17.694 6.386 6.386 532 HB VAL 68 HB VAL 68 -19.568 5.413 5.413 533 1HG1 VAL 68 1HG1 VAL 68 -18.208 5.387 5.387 534 2HG1 VAL 68 3HG1 VAL 68 -17.610 3.825 3.825 535 3HG1 VAL 68 2HG1 VAL 68 -19.337 4.064 4.064 536 1HG2 VAL 68 2HG2 VAL 68 -18.449 4.182 4.182 537 2HG2 VAL 68 1HG2 VAL 68 -19.276 3.142 3.142 538 3HG2 VAL 68 3HG2 VAL 68 -17.520 3.298 3.298 539 H LEU 69 HN LEU 69 -16.118 4.992 4.992 540 HA LEU 69 HA LEU 69 -13.726 4.822 4.822 541 1HB LEU 69 2HB LEU 69 -14.217 5.267 5.267 542 2HB LEU 69 1HB LEU 69 -13.283 3.790 3.790 543 HG LEU 69 HG LEU 69 -12.517 6.518 6.518 544 1HD1 LEU 69 3HD1 LEU 69 -11.746 4.862 4.862 545 2HD1 LEU 69 2HD1 LEU 69 -10.511 5.857 5.857 546 3HD1 LEU 69 1HD1 LEU 69 -11.972 6.606 6.606 547 1HD2 LEU 69 1HD2 LEU 69 -11.757 3.943 3.943 548 2HD2 LEU 69 3HD2 LEU 69 -11.169 5.526 5.526 549 3HD2 LEU 69 2HD2 LEU 69 -10.375 4.674 4.674 550 H MET 70 HN MET 70 -12.817 2.948 2.948 551 HA MET 70 HA MET 70 -14.101 0.435 0.435 552 1HB MET 70 2HB MET 70 -14.349 1.520 1.520 553 2HB MET 70 1HB MET 70 -12.964 0.456 0.456 554 1HG MET 70 2HG MET 70 -14.875 -1.020 -1.020 555 2HG MET 70 1HG MET 70 -15.749 -0.187 -0.187 556 1HE MET 70 2HE MET 70 -14.170 0.212 0.212 557 2HE MET 70 1HE MET 70 -13.607 -1.193 -1.193 558 3HE MET 70 3HE MET 70 -15.330 -0.973 -0.973 559 H ALA 71 HN ALA 71 -12.758 -1.473 -1.473 560 HA ALA 71 HA ALA 71 -9.879 -0.975 -0.975 561 1HB ALA 71 3HB ALA 71 -11.287 -2.139 -2.139 562 2HB ALA 71 2HB ALA 71 -9.566 -2.376 -2.376 563 3HB ALA 71 1HB ALA 71 -10.202 -0.749 -0.749 564 H VAL 72 HN VAL 72 -8.645 -2.761 -2.761 565 HA VAL 72 HA VAL 72 -10.025 -5.301 -5.301 566 HB VAL 72 HB VAL 72 -8.437 -3.906 -3.906 567 1HG1 VAL 72 2HG1 VAL 72 -9.223 -6.650 -6.650 568 2HG1 VAL 72 1HG1 VAL 72 -9.927 -6.003 -6.003 569 3HG1 VAL 72 3HG1 VAL 72 -8.182 -5.952 -5.952 570 1HG2 VAL 72 1HG2 VAL 72 -11.340 -4.039 -4.039 571 2HG2 VAL 72 3HG2 VAL 72 -10.393 -2.759 -2.759 572 3HG2 VAL 72 2HG2 VAL 72 -10.847 -4.188 -4.188 573 H SER 73 HN SER 73 -8.766 -6.220 -6.220 574 HA SER 73 HA SER 73 -5.886 -6.034 -6.034 575 1HB SER 73 2HB SER 73 -6.916 -6.128 -6.128 576 2HB SER 73 1HB SER 73 -7.748 -7.628 -7.628 577 HG SER 73 HG SER 73 -5.649 -7.669 -7.669 578 H CYS 74 HN CYS 74 -4.459 -7.794 -7.794 579 HA CYS 74 HA CYS 74 -5.595 -10.165 -10.165 580 1HB CYS 74 2HB CYS 74 -3.682 -10.043 -10.043 581 2HB CYS 74 1HB CYS 74 -4.938 -8.827 -8.827 582 HG CYS 74 HG CYS 74 -3.330 -7.043 -7.043 583 H ASP 75 HN ASP 75 -4.946 -11.886 -11.886 584 HA ASP 75 HA ASP 75 -2.867 -11.858 -11.858 585 1HB ASP 75 2HB ASP 75 -4.222 -14.215 -14.215 586 2HB ASP 75 1HB ASP 75 -3.213 -14.305 -14.305 587 H THR 76 HN THR 76 -0.790 -12.645 -12.645 588 HA THR 76 HA THR 76 0.699 -12.395 -12.395 589 HB THR 76 HB THR 76 2.552 -13.101 -13.101 590 HG1 THR 76 1HG THR 76 2.456 -14.542 -14.542 591 1HG2 THR 76 3HG2 THR 76 1.253 -11.161 -11.161 592 2HG2 THR 76 2HG2 THR 76 0.783 -12.326 -12.326 593 3HG2 THR 76 1HG2 THR 76 2.488 -11.959 -11.959 594 H PHE 77 HN PHE 77 1.085 -13.693 -13.693 595 HA PHE 77 HA PHE 77 0.613 -16.575 -16.575 596 1HB PHE 77 2HB PHE 77 -0.608 -16.707 -16.707 597 2HB PHE 77 1HB PHE 77 -1.346 -15.425 -15.425 598 HD1 PHE 77 2HD PHE 77 -1.008 -13.070 -13.070 599 HD2 PHE 77 1HD PHE 77 0.467 -16.253 -16.253 600 HE1 PHE 77 2HE PHE 77 -0.726 -11.510 -11.510 601 HE2 PHE 77 1HE PHE 77 0.753 -14.697 -14.697 602 HZ PHE 77 HZ PHE 77 0.155 -12.322 -12.322 603 H ASN 78 HN ASN 78 1.207 -17.410 -17.410 604 HA ASN 78 HA ASN 78 3.967 -16.456 -16.456 605 1HB ASN 78 2HB ASN 78 2.942 -19.289 -19.289 606 2HB ASN 78 1HB ASN 78 4.593 -18.756 -18.756 607 1HD2 ASN 78 2HD2 ASN 78 4.464 -20.237 -20.237 608 2HD2 ASN 78 1HD2 ASN 78 4.158 -20.767 -20.767 609 H ALA 79 HN ALA 79 4.272 -15.565 -15.565 610 HA ALA 79 HA ALA 79 2.403 -16.176 -16.176 611 1HB ALA 79 1HB ALA 79 4.363 -13.923 -13.923 612 2HB ALA 79 3HB ALA 79 3.402 -14.155 -14.155 613 3HB ALA 79 2HB ALA 79 2.603 -13.844 -13.844 614 H ALA 80 HN ALA 80 4.846 -17.798 -17.798 615 HA ALA 80 HA ALA 80 6.530 -17.693 -17.693 616 1HB ALA 80 1HB ALA 80 6.963 -18.396 -18.396 617 2HB ALA 80 3HB ALA 80 7.122 -19.894 -19.894 618 3HB ALA 80 2HB ALA 80 8.112 -18.494 -18.494 619 H THR 81 HN THR 81 3.908 -19.536 -19.536 620 HA THR 81 HA THR 81 3.917 -21.199 -21.199 621 HB THR 81 HB THR 81 3.453 -23.228 -23.228 622 HG1 THR 81 1HG THR 81 4.051 -21.529 -21.529 623 1HG2 THR 81 3HG2 THR 81 5.770 -22.700 -22.700 624 2HG2 THR 81 2HG2 THR 81 6.022 -21.944 -21.944 625 3HG2 THR 81 1HG2 THR 81 5.663 -23.670 -23.670 626 H GLU 82 HN GLU 82 2.293 -19.003 -19.003 627 HA GLU 82 HA GLU 82 -0.321 -20.316 -20.316 628 1HB GLU 82 2HB GLU 82 0.663 -18.050 -18.050 629 2HB GLU 82 1HB GLU 82 -1.027 -18.068 -18.068 630 1HG GLU 82 2HG GLU 82 0.182 -20.494 -20.494 631 2HG GLU 82 1HG GLU 82 -0.298 -19.131 -19.131 632 H ASP 83 HN ASP 83 -2.063 -19.039 -19.039 633 HA ASP 83 HA ASP 83 -1.107 -17.621 -17.621 634 1HB ASP 83 2HB ASP 83 -2.940 -19.451 -19.451 635 2HB ASP 83 1HB ASP 83 -3.996 -18.173 -18.173 636 H LEU 84 HN LEU 84 -1.328 -15.490 -15.490 637 HA LEU 84 HA LEU 84 -2.828 -13.905 -13.905 638 1HB LEU 84 2HB LEU 84 -0.385 -12.878 -12.878 639 2HB LEU 84 1HB LEU 84 -1.157 -12.254 -12.254 640 HG LEU 84 HG LEU 84 0.545 -14.727 -14.727 641 1HD1 LEU 84 1HD1 LEU 84 1.118 -12.059 -12.059 642 2HD1 LEU 84 3HD1 LEU 84 1.160 -12.936 -12.936 643 3HD1 LEU 84 2HD1 LEU 84 2.173 -13.460 -13.460 644 1HD2 LEU 84 2HD2 LEU 84 -1.624 -14.188 -14.188 645 2HD2 LEU 84 1HD2 LEU 84 -0.666 -15.652 -15.652 646 3HD2 LEU 84 3HD2 LEU 84 -0.087 -14.367 -14.367 647 H ASN 85 HN ASN 85 -4.302 -14.604 -14.604 648 HA ASN 85 HA ASN 85 -4.624 -12.145 -12.145 649 1HB ASN 85 2HB ASN 85 -3.794 -14.728 -14.728 650 2HB ASN 85 1HB ASN 85 -5.037 -13.816 -13.816 651 1HD2 ASN 85 2HD2 ASN 85 -1.259 -12.851 -12.851 652 2HD2 ASN 85 1HD2 ASN 85 -1.852 -14.356 -14.356 653 H ASN 86 HN ASN 86 -6.035 -13.738 -13.738 654 HA ASN 86 HA ASN 86 -8.633 -13.860 -13.860 655 1HB ASN 86 2HB ASN 86 -7.588 -15.874 -15.874 656 2HB ASN 86 1HB ASN 86 -9.242 -15.822 -15.822 657 1HD2 ASN 86 2HD2 ASN 86 -6.393 -17.710 -17.710 658 2HD2 ASN 86 1HD2 ASN 86 -6.185 -17.081 -17.081 659 H ASP 87 HN ASP 87 -6.936 -12.221 -12.221 660 HA ASP 87 HA ASP 87 -8.988 -12.111 -12.111 661 1HB ASP 87 2HB ASP 87 -6.314 -10.707 -10.707 662 2HB ASP 87 1HB ASP 87 -7.401 -10.636 -10.636 663 H ARG 88 HN ARG 88 -10.697 -10.890 -10.890 664 HA ARG 88 HA ARG 88 -10.229 -8.125 -8.125 665 1HB ARG 88 2HB ARG 88 -11.754 -10.163 -10.163 666 2HB ARG 88 1HB ARG 88 -12.319 -8.498 -8.498 667 1HG ARG 88 2HG ARG 88 -10.787 -7.922 -7.922 668 2HG ARG 88 1HG ARG 88 -9.493 -8.572 -8.572 669 1HD ARG 88 2HD ARG 88 -9.296 -9.837 -9.837 670 2HD ARG 88 1HD ARG 88 -10.291 -10.870 -10.870 671 HE ARG 88 HE ARG 88 -11.939 -9.216 -9.216 672 1HH1 ARG 88 1HH2 ARG 88 -9.820 -11.969 -11.969 673 2HH1 ARG 88 2HH2 ARG 88 -10.639 -12.645 -12.645 674 1HH2 ARG 88 1HH1 ARG 88 -13.026 -10.096 -10.096 675 2HH2 ARG 88 2HH1 ARG 88 -12.462 -11.580 -11.580 676 H ILE 89 HN ILE 89 -11.593 -6.701 -6.701 677 HA ILE 89 HA ILE 89 -13.567 -7.777 -7.777 678 HB ILE 89 HB ILE 89 -12.733 -4.892 -4.892 679 1HG1 ILE 89 2HG1 ILE 89 -11.462 -7.064 -7.064 680 2HG1 ILE 89 1HG1 ILE 89 -10.714 -6.243 -6.243 681 1HG2 ILE 89 3HG2 ILE 89 -14.150 -6.536 -6.536 682 2HG2 ILE 89 2HG2 ILE 89 -13.305 -5.057 -5.057 683 3HG2 ILE 89 1HG2 ILE 89 -14.621 -4.996 -4.996 684 1HD1 ILE 89 1HD1 ILE 89 -10.879 -4.117 -4.117 685 2HD1 ILE 89 3HD1 ILE 89 -11.479 -5.033 -5.033 686 3HD1 ILE 89 2HD1 ILE 89 -9.852 -5.328 -5.328 687 H THR 90 HN THR 90 -15.647 -6.571 -6.571 688 HA THR 90 HA THR 90 -16.583 -5.278 -5.278 689 HB THR 90 HB THR 90 -18.098 -7.599 -7.599 690 HG1 THR 90 1HG THR 90 -17.191 -8.890 -8.890 691 1HG2 THR 90 1HG2 THR 90 -18.936 -5.631 -5.631 692 2HG2 THR 90 3HG2 THR 90 -18.558 -7.008 -7.008 693 3HG2 THR 90 2HG2 THR 90 -19.709 -7.190 -7.190 694 H ILE 91 HN ILE 91 -17.716 -3.532 -3.532 695 HA ILE 91 HA ILE 91 -19.023 -3.419 -3.419 696 HB ILE 91 HB ILE 91 -17.979 -1.093 -1.093 697 1HG1 ILE 91 2HG1 ILE 91 -16.384 -0.991 -0.991 698 2HG1 ILE 91 1HG1 ILE 91 -16.799 -2.692 -2.692 699 1HG2 ILE 91 1HG2 ILE 91 -19.180 -1.269 -1.269 700 2HG2 ILE 91 3HG2 ILE 91 -18.354 0.155 0.155 701 3HG2 ILE 91 2HG2 ILE 91 -19.832 -0.421 -0.421 702 1HD1 ILE 91 3HD1 ILE 91 -15.930 -1.801 -1.801 703 2HD1 ILE 91 2HD1 ILE 91 -14.710 -1.874 -1.874 704 3HD1 ILE 91 1HD1 ILE 91 -15.630 -3.318 -3.318 705 H GLU 92 HN GLU 92 -21.083 -4.022 -4.022 706 HA GLU 92 HA GLU 92 -22.436 -2.631 -2.631 707 1HB GLU 92 2HB GLU 92 -23.755 -4.815 -4.815 708 2HB GLU 92 1HB GLU 92 -23.910 -4.401 -4.401 709 1HG GLU 92 2HG GLU 92 -21.722 -5.353 -5.353 710 2HG GLU 92 1HG GLU 92 -21.517 -5.725 -5.725 711 H TRP 93 HN TRP 93 -24.127 -1.265 -1.265 712 HA TRP 93 HA TRP 93 -25.313 -1.092 -1.092 713 1HB TRP 93 2HB TRP 93 -24.876 1.231 1.231 714 2HB TRP 93 1HB TRP 93 -23.335 0.476 0.476 715 HD1 TRP 93 1HD TRP 93 -25.504 3.299 3.299 716 HE1 TRP 93 1HE TRP 93 -24.622 4.393 4.393 717 HE3 TRP 93 3HE TRP 93 -22.152 -0.292 -0.292 718 HZ2 TRP 93 2HZ TRP 93 -22.754 3.813 3.813 719 HZ3 TRP 93 3HZ TRP 93 -20.859 0.055 0.055 720 HH2 TRP 93 2HH TRP 93 -21.154 2.066 2.066 721 H THR 94 HN THR 94 -27.386 -0.280 -0.280 722 HA THR 94 HA THR 94 -28.517 0.737 0.737 723 HB THR 94 HB THR 94 -29.011 -1.585 -1.585 724 HG1 THR 94 1HG THR 94 -31.292 -0.358 -0.358 725 1HG2 THR 94 1HG2 THR 94 -29.016 -1.609 -1.609 726 2HG2 THR 94 3HG2 THR 94 -30.612 -2.134 -2.134 727 3HG2 THR 94 2HG2 THR 94 -29.169 -2.971 -2.971 728 H ASN 95 HN ASN 95 -30.249 2.117 2.117 729 HA ASN 95 HA ASN 95 -30.451 3.519 3.519 730 1HB ASN 95 2HB ASN 95 -32.132 3.461 3.461 731 2HB ASN 95 1HB ASN 95 -32.601 4.445 4.445 732 1HD2 ASN 95 2HD2 ASN 95 -30.512 7.037 7.037 733 2HD2 ASN 95 1HD2 ASN 95 -31.904 6.448 6.448 734 H THR 96 HN THR 96 -31.473 3.041 3.041 735 HA THR 96 HA THR 96 -32.894 0.718 0.718 736 HB THR 96 HB THR 96 -33.813 2.013 2.013 737 HG1 THR 96 1HG THR 96 -33.379 4.078 4.078 738 1HG2 THR 96 1HG2 THR 96 -31.437 0.786 0.786 739 2HG2 THR 96 3HG2 THR 96 -30.912 2.413 2.413 740 3HG2 THR 96 2HG2 THR 96 -31.975 1.515 1.515 741 HA PRO 97 HA PRO 97 -36.901 1.343 1.343 742 1HB PRO 97 2HB PRO 97 -38.392 -0.196 -0.196 743 2HB PRO 97 1HB PRO 97 -37.365 -0.861 -0.861 744 1HG PRO 97 2HG PRO 97 -36.808 -0.573 -0.573 745 2HG PRO 97 1HG PRO 97 -36.457 -1.936 -1.936 746 1HD PRO 97 2HD PRO 97 -34.558 -0.169 -0.169 747 2HD PRO 97 1HD PRO 97 -34.571 -0.924 -0.924 748 H ASP 98 HN ASP 98 -38.984 2.264 2.264 749 HA ASP 98 HA ASP 98 -38.991 4.559 4.559 750 1HB ASP 98 2HB ASP 98 -41.363 2.839 2.839 751 2HB ASP 98 1HB ASP 98 -41.467 4.504 4.504 752 H GLY 99 HN GLY 99 -38.881 4.910 4.910 753 1HA GLY 99 2HA GLY 99 -39.121 4.652 4.652 754 2HA GLY 99 1HA GLY 99 -40.608 3.792 3.792 755 H ALA 100 HN ALA 100 -37.282 2.906 2.906 756 HA ALA 100 HA ALA 100 -37.667 0.222 0.222 757 1HB ALA 100 3HB ALA 100 -36.109 1.060 1.060 758 2HB ALA 100 2HB ALA 100 -34.990 1.466 1.466 759 3HB ALA 100 1HB ALA 100 -35.502 -0.206 -0.206 760 H ALA 101 HN ALA 101 -36.989 -0.804 -0.804 761 HA ALA 101 HA ALA 101 -36.842 0.537 0.537 762 1HB ALA 101 1HB ALA 101 -37.319 -1.845 -1.845 763 2HB ALA 101 3HB ALA 101 -35.653 -2.153 -2.153 764 3HB ALA 101 2HB ALA 101 -35.991 -1.543 -1.543 765 H LYS 102 HN LYS 102 -35.041 0.565 0.565 766 HA LYS 102 HA LYS 102 -32.691 1.717 1.717 767 1HB LYS 102 2HB LYS 102 -32.083 2.283 2.283 768 2HB LYS 102 1HB LYS 102 -33.510 3.070 3.070 769 1HG LYS 102 2HG LYS 102 -34.965 1.770 1.770 770 2HG LYS 102 1HG LYS 102 -33.741 0.536 0.536 771 1HD LYS 102 2HD LYS 102 -33.049 3.219 3.219 772 2HD LYS 102 1HD LYS 102 -34.458 2.495 2.495 773 1HE LYS 102 2HE LYS 102 -32.817 1.649 1.649 774 2HE LYS 102 1HE LYS 102 -32.861 0.389 0.389 775 1HZ LYS 102 2HZ LYS 102 -31.107 2.195 2.195 776 2HZ LYS 102 1HZ LYS 102 -30.765 2.239 2.239 777 3HZ LYS 102 3HZ LYS 102 -30.690 0.773 0.773 778 H GLN 103 HN GLN 103 -32.168 -0.477 -0.477 779 HA GLN 103 HA GLN 103 -29.959 -1.519 -1.519 780 1HB GLN 103 2HB GLN 103 -30.940 -3.836 -3.836 781 2HB GLN 103 1HB GLN 103 -31.375 -2.563 -2.563 782 1HG GLN 103 2HG GLN 103 -33.507 -3.002 -3.002 783 2HG GLN 103 1HG GLN 103 -33.316 -2.540 -2.540 784 1HE2 GLN 103 2HE2 GLN 103 -33.066 -6.507 -6.507 785 2HE2 GLN 103 1HE2 GLN 103 -32.547 -5.290 -5.290 786 H PHE 104 HN PHE 104 -28.684 -2.512 -2.512 787 HA PHE 104 HA PHE 104 -29.239 -2.597 -2.597 788 1HB PHE 104 2HB PHE 104 -26.968 -2.742 -2.742 789 2HB PHE 104 1HB PHE 104 -27.310 -4.376 -4.376 790 HD1 PHE 104 1HD PHE 104 -26.742 -2.272 -2.272 791 HD2 PHE 104 2HD PHE 104 -27.265 -6.233 -6.233 792 HE1 PHE 104 1HE PHE 104 -25.969 -3.167 -3.167 793 HE2 PHE 104 2HE PHE 104 -26.492 -7.135 -7.135 794 HZ PHE 104 HZ PHE 104 -25.842 -5.602 -5.602 795 H ARG 105 HN ARG 105 -29.668 -4.296 -4.296 796 HA ARG 105 HA ARG 105 -30.845 -6.728 -6.728 797 1HB ARG 105 2HB ARG 105 -32.321 -4.601 -4.601 798 2HB ARG 105 1HB ARG 105 -32.366 -5.946 -5.946 799 1HG ARG 105 2HG ARG 105 -33.139 -7.406 -7.406 800 2HG ARG 105 1HG ARG 105 -33.226 -5.973 -5.973 801 1HD ARG 105 2HD ARG 105 -34.951 -5.026 -5.026 802 2HD ARG 105 1HD ARG 105 -34.661 -6.119 -6.119 803 HE ARG 105 HE ARG 105 -35.377 -7.689 -7.689 804 1HH1 ARG 105 1HH2 ARG 105 -36.796 -5.192 -5.192 805 2HH1 ARG 105 2HH2 ARG 105 -38.417 -5.770 -5.770 806 1HH2 ARG 105 1HH1 ARG 105 -37.507 -8.459 -8.459 807 2HH2 ARG 105 2HH1 ARG 105 -38.820 -7.628 -7.628 808 H ARG 106 HN ARG 106 -30.894 -8.530 -8.530 809 HA ARG 106 HA ARG 106 -28.798 -8.431 -8.431 810 1HB ARG 106 2HB ARG 106 -28.774 -10.214 -10.214 811 2HB ARG 106 1HB ARG 106 -30.312 -10.802 -10.802 812 1HG ARG 106 2HG ARG 106 -29.138 -11.092 -11.092 813 2HG ARG 106 1HG ARG 106 -27.632 -10.850 -10.850 814 1HD ARG 106 2HD ARG 106 -29.670 -13.035 -13.035 815 2HD ARG 106 1HD ARG 106 -27.984 -13.193 -13.193 816 HE ARG 106 HE ARG 106 -28.993 -12.981 -12.981 817 1HH1 ARG 106 1HH2 ARG 106 -26.244 -12.422 -12.422 818 2HH1 ARG 106 2HH2 ARG 106 -25.093 -12.510 -12.510 819 1HH2 ARG 106 1HH1 ARG 106 -27.485 -13.098 -13.098 820 2HH2 ARG 106 2HH1 ARG 106 -25.798 -12.894 -12.894 821 H GLU 107 HN GLU 107 -32.236 -8.635 -8.635 822 HA GLU 107 HA GLU 107 -32.773 -9.843 -9.843 823 1HB GLU 107 2HB GLU 107 -34.284 -8.612 -8.612 824 2HB GLU 107 1HB GLU 107 -34.915 -8.136 -8.136 825 1HG GLU 107 2HG GLU 107 -35.780 -10.146 -10.146 826 2HG GLU 107 1HG GLU 107 -34.327 -10.974 -10.974 827 H TRP 108 HN TRP 108 -31.691 -6.702 -6.702 828 HA TRP 108 HA TRP 108 -32.782 -5.171 -5.171 829 1HB TRP 108 2HB TRP 108 -30.235 -4.931 -4.931 830 2HB TRP 108 1HB TRP 108 -30.657 -3.766 -3.766 831 HD1 TRP 108 1HD TRP 108 -33.907 -4.132 -4.132 832 HE1 TRP 108 1HE TRP 108 -34.607 -2.665 -2.665 833 HE3 TRP 108 3HE TRP 108 -29.275 -3.025 -3.025 834 HZ2 TRP 108 2HZ TRP 108 -33.363 -1.229 -1.229 835 HZ3 TRP 108 3HZ TRP 108 -29.117 -1.598 -1.598 836 HH2 TRP 108 2HH TRP 108 -31.120 -0.719 -0.719 837 H PHE 109 HN PHE 109 -30.499 -7.708 -7.708 838 HA PHE 109 HA PHE 109 -29.836 -6.954 -6.954 839 1HB PHE 109 2HB PHE 109 -27.992 -8.506 -8.506 840 2HB PHE 109 1HB PHE 109 -27.622 -7.815 -7.815 841 HD1 PHE 109 1HD PHE 109 -28.570 -6.879 -6.879 842 HD2 PHE 109 2HD PHE 109 -26.693 -5.696 -5.696 843 HE1 PHE 109 1HE PHE 109 -27.754 -4.831 -4.831 844 HE2 PHE 109 2HE PHE 109 -25.874 -3.646 -3.646 845 HZ PHE 109 HZ PHE 109 -26.405 -3.212 -3.212 846 H GLN 110 HN GLN 110 -32.054 -8.498 -8.498 847 HA GLN 110 HA GLN 110 -31.239 -11.197 -11.197 848 1HB GLN 110 2HB GLN 110 -33.211 -12.064 -12.064 849 2HB GLN 110 1HB GLN 110 -32.294 -11.096 -11.096 850 1HG GLN 110 2HG GLN 110 -34.101 -9.903 -9.903 851 2HG GLN 110 1HG GLN 110 -34.139 -9.372 -9.372 852 1HE2 GLN 110 1HE2 GLN 110 -34.926 -12.276 -12.276 853 2HE2 GLN 110 2HE2 GLN 110 -36.436 -12.582 -12.582 854 H GLY 111 HN GLY 111 -31.773 -8.843 -8.843 855 1HA GLY 111 2HA GLY 111 -33.061 -9.988 -9.988 856 2HA GLY 111 1HA GLY 111 -34.344 -9.213 -9.213 857 H ASP 112 HN ASP 112 -34.256 -8.222 -8.222 858 HA ASP 112 HA ASP 112 -32.315 -6.120 -6.120 859 1HB ASP 112 2HB ASP 112 -34.165 -7.489 -7.489 860 2HB ASP 112 1HB ASP 112 -34.581 -5.779 -5.779 861 H GLY 113 HN GLY 113 -32.851 -3.865 -3.865 862 1HA GLY 113 2HA GLY 113 -34.727 -2.225 -2.225 863 2HA GLY 113 1HA GLY 113 -35.073 -3.111 -3.111 864 H MET 114 HN MET 114 -32.691 -1.086 -1.086 865 HA MET 114 HA MET 114 -31.071 0.309 0.309 866 1HB MET 114 2HB MET 114 -32.599 0.473 0.473 867 2HB MET 114 1HB MET 114 -31.659 1.724 1.724 868 1HG MET 114 2HG MET 114 -34.079 0.624 0.624 869 2HG MET 114 1HG MET 114 -34.262 1.786 1.786 870 1HE MET 114 1HE MET 114 -35.606 2.359 2.359 871 2HE MET 114 3HE MET 114 -35.242 4.084 4.084 872 3HE MET 114 2HE MET 114 -34.925 3.075 3.075 873 H VAL 115 HN VAL 115 -29.183 -0.680 -0.680 874 HA VAL 115 HA VAL 115 -28.165 -1.215 -1.215 875 HB VAL 115 HB VAL 115 -29.674 -3.125 -3.125 876 1HG1 VAL 115 2HG1 VAL 115 -29.523 -3.323 -3.323 877 2HG1 VAL 115 1HG1 VAL 115 -28.264 -4.495 -4.495 878 3HG1 VAL 115 3HG1 VAL 115 -29.902 -4.722 -4.722 879 1HG2 VAL 115 1HG2 VAL 115 -26.920 -3.185 -3.185 880 2HG2 VAL 115 3HG2 VAL 115 -28.121 -4.286 -4.286 881 3HG2 VAL 115 2HG2 VAL 115 -27.289 -4.701 -4.701 882 H ARG 116 HN ARG 116 -26.114 -0.711 -0.711 883 HA ARG 116 HA ARG 116 -24.878 -1.509 -1.509 884 1HB ARG 116 2HB ARG 116 -24.731 0.852 0.852 885 2HB ARG 116 1HB ARG 116 -23.125 0.174 0.174 886 1HG ARG 116 2HG ARG 116 -23.213 0.440 0.440 887 2HG ARG 116 1HG ARG 116 -24.970 0.609 0.609 888 1HD ARG 116 2HD ARG 116 -24.725 2.815 2.815 889 2HD ARG 116 1HD ARG 116 -23.967 2.656 2.656 890 HE ARG 116 HE ARG 116 -21.924 3.031 3.031 891 1HH1 ARG 116 1HH2 ARG 116 -24.275 2.344 2.344 892 2HH1 ARG 116 2HH2 ARG 116 -23.216 2.763 2.763 893 1HH2 ARG 116 1HH1 ARG 116 -20.520 3.586 3.586 894 2HH2 ARG 116 2HH1 ARG 116 -21.080 3.470 3.470 895 H ARG 117 HN ARG 117 -22.738 -2.379 -2.379 896 HA ARG 117 HA ARG 117 -21.784 -3.496 -3.496 897 1HB ARG 117 2HB ARG 117 -21.317 -5.656 -5.656 898 2HB ARG 117 1HB ARG 117 -22.932 -5.375 -5.375 899 1HG ARG 117 2HG ARG 117 -23.632 -4.521 -4.521 900 2HG ARG 117 1HG ARG 117 -22.017 -4.851 -4.851 901 1HD ARG 117 2HD ARG 117 -23.570 -6.636 -6.636 902 2HD ARG 117 1HD ARG 117 -22.306 -7.226 -7.226 903 HE ARG 117 HE ARG 117 -23.904 -7.663 -7.663 904 1HH1 ARG 117 1HH2 ARG 117 -25.258 -5.607 -5.607 905 2HH1 ARG 117 2HH2 ARG 117 -26.877 -5.734 -5.734 906 1HH2 ARG 117 1HH1 ARG 117 -26.033 -7.839 -7.839 907 2HH2 ARG 117 2HH1 ARG 117 -27.318 -7.003 -7.003 908 H LYS 118 HN LYS 118 -19.961 -2.258 -2.258 909 HA LYS 118 HA LYS 118 -18.255 -2.064 -2.064 910 1HB LYS 118 2HB LYS 118 -18.738 -0.410 -0.410 911 2HB LYS 118 1HB LYS 118 -17.148 -1.073 -1.073 912 1HG LYS 118 2HG LYS 118 -16.761 -0.418 -0.418 913 2HG LYS 118 1HG LYS 118 -18.013 0.760 0.760 914 1HD LYS 118 2HD LYS 118 -16.408 1.020 1.020 915 2HD LYS 118 1HD LYS 118 -15.218 0.566 0.566 916 1HE LYS 118 2HE LYS 118 -15.196 2.729 2.729 917 2HE LYS 118 1HE LYS 118 -16.764 2.428 2.428 918 1HZ LYS 118 1HZ LYS 118 -16.875 2.948 2.948 919 2HZ LYS 118 3HZ LYS 118 -16.305 4.251 4.251 920 3HZ LYS 118 2HZ LYS 118 -17.820 3.578 3.578 921 H ASN 119 HN ASN 119 -15.935 -2.521 -2.521 922 HA ASN 119 HA ASN 119 -15.260 -4.663 -4.663 923 1HB ASN 119 2HB ASN 119 -15.128 -4.862 -4.862 924 2HB ASN 119 1HB ASN 119 -14.189 -5.912 -5.912 925 1HD2 ASN 119 2HD2 ASN 119 -18.071 -6.630 -6.630 926 2HD2 ASN 119 1HD2 ASN 119 -17.194 -5.342 -5.342 927 H LEU 120 HN LEU 120 -13.317 -4.360 -4.360 928 HA LEU 120 HA LEU 120 -11.453 -2.528 -2.528 929 1HB LEU 120 2HB LEU 120 -11.207 -3.191 -3.191 930 2HB LEU 120 1HB LEU 120 -10.743 -1.730 -1.730 931 HG LEU 120 HG LEU 120 -13.491 -2.555 -2.555 932 1HD1 LEU 120 1HD1 LEU 120 -11.589 -0.328 -0.328 933 2HD1 LEU 120 3HD1 LEU 120 -13.321 -0.150 -0.150 934 3HD1 LEU 120 2HD1 LEU 120 -12.422 -1.426 -1.426 935 1HD2 LEU 120 3HD2 LEU 120 -12.743 -0.946 -0.946 936 2HD2 LEU 120 2HD2 LEU 120 -14.312 -1.605 -1.605 937 3HD2 LEU 120 1HD2 LEU 120 -13.762 -0.075 -0.075 938 HA PRO 121 HA PRO 121 -9.251 -6.484 -6.484 939 1HB PRO 121 2HB PRO 121 -7.402 -4.569 -4.569 940 2HB PRO 121 1HB PRO 121 -8.045 -6.107 -6.107 941 1HG PRO 121 2HG PRO 121 -8.978 -3.800 -3.800 942 2HG PRO 121 1HG PRO 121 -10.066 -5.169 -5.169 943 1HD PRO 121 2HD PRO 121 -9.647 -2.688 -2.688 944 2HD PRO 121 1HD PRO 121 -11.146 -3.582 -3.582 945 H ILE 122 HN ILE 122 -7.537 -7.374 -7.374 946 HA ILE 122 HA ILE 122 -6.012 -5.577 -5.577 947 HB ILE 122 HB ILE 122 -6.349 -8.538 -8.538 948 1HG1 ILE 122 2HG1 ILE 122 -8.570 -7.349 -7.349 949 2HG1 ILE 122 1HG1 ILE 122 -8.219 -8.131 -8.131 950 1HG2 ILE 122 1HG2 ILE 122 -4.535 -7.146 -7.146 951 2HG2 ILE 122 3HG2 ILE 122 -5.855 -6.428 -6.428 952 3HG2 ILE 122 2HG2 ILE 122 -5.556 -8.164 -8.164 953 1HD1 ILE 122 1HD1 ILE 122 -7.242 -5.519 -5.519 954 2HD1 ILE 122 3HD1 ILE 122 -8.820 -5.391 -5.391 955 3HD1 ILE 122 2HD1 ILE 122 -8.665 -6.215 -6.215 956 H GLU 123 HN GLU 123 -4.282 -5.113 -5.113 957 HA GLU 123 HA GLU 123 -2.822 -7.222 -7.222 958 1HB GLU 123 2HB GLU 123 -2.145 -4.292 -4.292 959 2HB GLU 123 1HB GLU 123 -1.344 -5.429 -5.429 960 1HG GLU 123 2HG GLU 123 -3.350 -5.689 -5.689 961 2HG GLU 123 1HG GLU 123 -4.256 -4.687 -4.687 962 H TYR 124 HN TYR 124 -0.846 -8.051 -8.051 963 HA TYR 124 HA TYR 124 0.049 -7.439 -7.439 964 1HB TYR 124 2HB TYR 124 0.422 -9.875 -9.875 965 2HB TYR 124 1HB TYR 124 1.279 -9.645 -9.645 966 HD1 TYR 124 1HD TYR 124 -2.201 -9.605 -9.605 967 HD2 TYR 124 2HD TYR 124 0.341 -10.512 -10.512 968 HE1 TYR 124 1HE TYR 124 -4.118 -10.552 -10.552 969 HE2 TYR 124 2HE TYR 124 -1.569 -11.464 -11.464 970 HH TYR 124 HH TYR 124 -3.762 -12.406 -12.406 971 H ASN 125 HN ASN 125 1.546 -5.880 -5.880 972 HA ASN 125 HA ASN 125 3.438 -5.648 -5.648 973 1HB ASN 125 2HB ASN 125 2.433 -3.947 -3.947 974 2HB ASN 125 1HB ASN 125 4.163 -4.090 -4.090 975 1HD2 ASN 125 2HD2 ASN 125 3.995 -1.278 -1.278 976 2HD2 ASN 125 1HD2 ASN 125 3.747 -1.710 -1.710 977 H LEU 126 HN LEU 126 4.463 -7.714 -7.714 978 HA LEU 126 HA LEU 126 5.906 -8.474 -8.474 979 1HB LEU 126 2HB LEU 126 5.781 -9.496 -9.496 980 2HB LEU 126 1HB LEU 126 6.990 -10.104 -10.104 981 HG LEU 126 HG LEU 126 4.030 -10.195 -10.195 982 1HD1 LEU 126 2HD1 LEU 126 5.824 -12.273 -12.273 983 2HD1 LEU 126 1HD1 LEU 126 4.223 -12.607 -12.607 984 3HD1 LEU 126 3HD1 LEU 126 4.397 -11.524 -11.524 985 1HD2 LEU 126 3HD2 LEU 126 6.492 -11.156 -11.156 986 2HD2 LEU 126 2HD2 LEU 126 5.013 -10.474 -10.474 987 3HD2 LEU 126 1HD2 LEU 126 5.033 -12.141 -12.141 988 1H ALA 1 3HN ALA 1 43.868 -8.761 -8.761 989 2H ALA 1 2HN ALA 1 44.518 -7.530 -7.530 990 3H ALA 1 1HN ALA 1 44.901 -7.566 -7.566 991 HA ALA 1 HA ALA 1 43.327 -5.881 -5.881 992 1HB ALA 1 3HB ALA 1 42.117 -7.985 -7.985 993 2HB ALA 1 2HB ALA 1 40.973 -7.040 -7.040 994 3HB ALA 1 1HB ALA 1 42.063 -6.231 -6.231 995 H GLN 2 HN GLN 2 41.522 -8.886 -8.886 996 HA GLN 2 HA GLN 2 40.516 -9.750 -9.750 997 1HB GLN 2 2HB GLN 2 42.968 -8.545 -8.545 998 2HB GLN 2 1HB GLN 2 41.694 -8.523 -8.523 999 1HG GLN 2 2HG GLN 2 41.743 -10.746 -10.746 1000 2HG GLN 2 1HG GLN 2 42.011 -11.069 -11.069 1001 1HE2 GLN 2 2HE2 GLN 2 45.599 -10.500 -10.500 1002 2HE2 GLN 2 1HE2 GLN 2 44.293 -9.904 -9.904 1003 H SER 3 HN SER 3 38.586 -8.638 -8.638 1004 HA SER 3 HA SER 3 37.751 -6.770 -6.770 1005 1HB SER 3 2HB SER 3 37.334 -5.972 -5.972 1006 2HB SER 3 1HB SER 3 37.092 -4.998 -4.998 1007 HG SER 3 HG SER 3 39.558 -5.896 -5.896 1008 H VAL 4 HN VAL 4 35.587 -6.881 -6.881 1009 HA VAL 4 HA VAL 4 33.908 -8.464 -8.464 1010 HB VAL 4 HB VAL 4 32.893 -9.614 -9.614 1011 1HG1 VAL 4 3HG1 VAL 4 35.539 -10.045 -10.045 1012 2HG1 VAL 4 2HG1 VAL 4 35.374 -10.732 -10.732 1013 3HG1 VAL 4 1HG1 VAL 4 34.255 -11.205 -11.205 1014 1HG2 VAL 4 2HG2 VAL 4 34.463 -7.738 -7.738 1015 2HG2 VAL 4 1HG2 VAL 4 33.312 -8.923 -8.923 1016 3HG2 VAL 4 3HG2 VAL 4 35.009 -9.361 -9.361 1017 HA PRO 5 HA PRO 5 31.408 -4.746 -4.746 1018 1HB PRO 5 2HB PRO 5 29.384 -6.579 -6.579 1019 2HB PRO 5 1HB PRO 5 29.805 -4.921 -4.921 1020 1HG PRO 5 2HG PRO 5 30.631 -6.971 -6.971 1021 2HG PRO 5 1HG PRO 5 31.690 -5.579 -5.579 1022 1HD PRO 5 2HD PRO 5 31.759 -8.309 -8.309 1023 2HD PRO 5 1HD PRO 5 33.102 -7.230 -7.230 1024 HA PRO 6 HA PRO 6 29.083 -5.690 -5.690 1025 1HB PRO 6 2HB PRO 6 27.180 -3.774 -3.774 1026 2HB PRO 6 1HB PRO 6 28.881 -3.412 -3.412 1027 1HG PRO 6 2HG PRO 6 27.327 -3.122 -3.122 1028 2HG PRO 6 1HG PRO 6 28.494 -2.004 -2.004 1029 1HD PRO 6 2HD PRO 6 29.134 -3.682 -3.682 1030 2HD PRO 6 1HD PRO 6 30.306 -3.168 -3.168 1031 H GLY 7 HN GLY 7 27.757 -7.364 -7.364 1032 1HA GLY 7 2HA GLY 7 25.967 -8.333 -8.333 1033 2HA GLY 7 1HA GLY 7 26.005 -8.825 -8.825 1034 H ASP 8 HN ASP 8 23.826 -8.097 -8.097 1035 HA ASP 8 HA ASP 8 22.511 -5.771 -5.771 1036 1HB ASP 8 2HB ASP 8 21.683 -8.287 -8.287 1037 2HB ASP 8 1HB ASP 8 20.419 -7.223 -7.223 1038 H ILE 9 HN ILE 9 21.323 -5.249 -5.249 1039 HA ILE 9 HA ILE 9 20.991 -7.256 -7.256 1040 HB ILE 9 HB ILE 9 20.345 -5.334 -5.334 1041 1HG1 ILE 9 2HG1 ILE 9 21.360 -3.245 -3.245 1042 2HG1 ILE 9 1HG1 ILE 9 20.001 -4.048 -4.048 1043 1HG2 ILE 9 1HG2 ILE 9 22.964 -5.490 -5.490 1044 2HG2 ILE 9 3HG2 ILE 9 22.676 -4.153 -4.153 1045 3HG2 ILE 9 2HG2 ILE 9 22.564 -5.818 -5.818 1046 1HD1 ILE 9 1HD1 ILE 9 18.917 -3.732 -3.732 1047 2HD1 ILE 9 3HD1 ILE 9 20.080 -2.409 -2.409 1048 3HD1 ILE 9 2HD1 ILE 9 18.883 -2.461 -2.461 1049 H ASN 10 HN ASN 10 19.136 -8.301 -8.301 1050 HA ASN 10 HA ASN 10 16.840 -7.864 -7.864 1051 1HB ASN 10 2HB ASN 10 17.642 -9.607 -9.607 1052 2HB ASN 10 1HB ASN 10 15.959 -9.114 -9.114 1053 1HD2 ASN 10 2HD2 ASN 10 16.904 -10.947 -10.947 1054 2HD2 ASN 10 1HD2 ASN 10 17.903 -9.689 -9.689 1055 H THR 11 HN THR 11 14.838 -6.923 -6.923 1056 HA THR 11 HA THR 11 14.671 -5.254 -5.254 1057 HB THR 11 HB THR 11 13.522 -3.583 -3.583 1058 HG1 THR 11 1HG THR 11 14.192 -5.018 -5.018 1059 1HG2 THR 11 3HG2 THR 11 15.608 -3.339 -3.339 1060 2HG2 THR 11 2HG2 THR 11 16.473 -3.393 -3.393 1061 3HG2 THR 11 1HG2 THR 11 15.245 -2.158 -2.158 1062 H GLN 12 HN GLN 12 12.539 -4.653 -4.653 1063 HA GLN 12 HA GLN 12 10.332 -5.932 -5.932 1064 1HB GLN 12 2HB GLN 12 11.432 -6.823 -6.823 1065 2HB GLN 12 1HB GLN 12 9.705 -6.500 -6.500 1066 1HG GLN 12 2HG GLN 12 9.201 -8.163 -8.163 1067 2HG GLN 12 1HG GLN 12 10.816 -8.158 -8.158 1068 1HE2 GLN 12 2HE2 GLN 12 10.443 -11.221 -11.221 1069 2HE2 GLN 12 1HE2 GLN 12 9.660 -10.518 -10.518 1070 HA PRO 13 HA PRO 13 8.478 -5.243 -5.243 1071 1HB PRO 13 2HB PRO 13 8.069 -3.018 -3.018 1072 2HB PRO 13 1HB PRO 13 6.848 -3.722 -3.722 1073 1HG PRO 13 2HG PRO 13 8.665 -1.392 -1.392 1074 2HG PRO 13 1HG PRO 13 6.946 -1.574 -1.574 1075 1HD PRO 13 2HD PRO 13 8.856 -1.850 -1.850 1076 2HD PRO 13 1HD PRO 13 7.391 -2.856 -2.856 1077 H SER 14 HN SER 14 9.290 -5.348 -5.348 1078 HA SER 14 HA SER 14 11.992 -5.559 -5.559 1079 1HB SER 14 2HB SER 14 10.366 -6.448 -6.448 1080 2HB SER 14 1HB SER 14 10.104 -4.813 -4.813 1081 HG SER 14 HG SER 14 11.944 -4.897 -4.897 1082 H GLN 15 HN GLN 15 10.133 -2.814 -2.814 1083 HA GLN 15 HA GLN 15 11.995 -0.875 -0.875 1084 1HB GLN 15 2HB GLN 15 12.851 -0.190 -0.190 1085 2HB GLN 15 1HB GLN 15 13.454 -1.750 -1.750 1086 1HG GLN 15 2HG GLN 15 11.709 -2.835 -2.835 1087 2HG GLN 15 1HG GLN 15 11.301 -1.242 -1.242 1088 1HE2 GLN 15 2HE2 GLN 15 13.657 -2.925 -2.925 1089 2HE2 GLN 15 1HE2 GLN 15 12.109 -3.301 -3.301 1090 H LYS 16 HN LYS 16 9.260 -1.053 -1.053 1091 HA LYS 16 HA LYS 16 8.422 1.468 1.468 1092 1HB LYS 16 2HB LYS 16 6.842 0.965 0.965 1093 2HB LYS 16 1HB LYS 16 8.412 0.338 0.338 1094 1HG LYS 16 2HG LYS 16 7.718 -1.908 -1.908 1095 2HG LYS 16 1HG LYS 16 6.133 -1.267 -1.267 1096 1HD LYS 16 2HD LYS 16 7.152 -0.759 -0.759 1097 2HD LYS 16 1HD LYS 16 6.572 -2.379 -2.379 1098 1HE LYS 16 2HE LYS 16 4.901 -0.022 -0.022 1099 2HE LYS 16 1HE LYS 16 4.939 -0.554 -0.554 1100 1HZ LYS 16 3HZ LYS 16 4.447 -2.519 -2.519 1101 2HZ LYS 16 2HZ LYS 16 3.184 -1.516 -1.516 1102 3HZ LYS 16 1HZ LYS 16 3.947 -2.544 -2.544 1103 H ILE 17 HN ILE 17 6.770 2.109 2.109 1104 HA ILE 17 HA ILE 17 5.010 0.074 0.074 1105 HB ILE 17 HB ILE 17 6.698 0.713 0.713 1106 1HG1 ILE 17 2HG1 ILE 17 4.049 1.955 1.955 1107 2HG1 ILE 17 1HG1 ILE 17 4.259 0.215 0.215 1108 1HG2 ILE 17 1HG2 ILE 17 5.605 3.497 3.497 1109 2HG2 ILE 17 3HG2 ILE 17 6.724 3.004 3.004 1110 3HG2 ILE 17 2HG2 ILE 17 7.225 2.939 2.939 1111 1HD1 ILE 17 1HD1 ILE 17 6.263 0.691 0.691 1112 2HD1 ILE 17 3HD1 ILE 17 5.214 2.041 2.041 1113 3HD1 ILE 17 2HD1 ILE 17 4.613 0.385 0.385 1114 H VAL 18 HN VAL 18 2.922 0.858 0.858 1115 HA VAL 18 HA VAL 18 2.189 3.397 3.397 1116 HB VAL 18 HB VAL 18 0.467 0.927 0.927 1117 1HG1 VAL 18 3HG1 VAL 18 -0.216 3.645 3.645 1118 2HG1 VAL 18 2HG1 VAL 18 -0.456 2.816 2.816 1119 3HG1 VAL 18 1HG1 VAL 18 -1.266 2.231 2.231 1120 1HG2 VAL 18 3HG2 VAL 18 2.360 1.853 1.853 1121 2HG2 VAL 18 2HG2 VAL 18 1.718 0.239 0.239 1122 3HG2 VAL 18 1HG2 VAL 18 0.769 1.405 1.405 1123 H PHE 19 HN PHE 19 2.268 4.655 4.655 1124 HA PHE 19 HA PHE 19 1.213 3.994 3.994 1125 1HB PHE 19 2HB PHE 19 1.758 6.594 6.594 1126 2HB PHE 19 1HB PHE 19 0.932 6.592 6.592 1127 HD1 PHE 19 1HD PHE 19 3.725 4.476 4.476 1128 HD2 PHE 19 2HD PHE 19 2.438 7.413 7.413 1129 HE1 PHE 19 1HE PHE 19 5.896 4.326 4.326 1130 HE2 PHE 19 2HE PHE 19 4.606 7.270 7.270 1131 HZ PHE 19 HZ PHE 19 6.339 5.726 5.726 1132 H ASN 20 HN ASN 20 -0.783 3.036 3.036 1133 HA ASN 20 HA ASN 20 -2.963 4.063 4.063 1134 1HB ASN 20 2HB ASN 20 -3.178 2.197 2.197 1135 2HB ASN 20 1HB ASN 20 -4.266 2.334 2.334 1136 1HD2 ASN 20 2HD2 ASN 20 -1.011 -0.034 -0.034 1137 2HD2 ASN 20 1HD2 ASN 20 -1.406 0.930 0.930 1138 H ALA 21 HN ALA 21 -4.658 5.315 5.315 1139 HA ALA 21 HA ALA 21 -4.337 7.052 7.052 1140 1HB ALA 21 2HB ALA 21 -5.530 7.280 7.280 1141 2HB ALA 21 1HB ALA 21 -6.911 7.165 7.165 1142 3HB ALA 21 3HB ALA 21 -5.698 8.423 8.423 1143 HA PRO 22 HA PRO 22 -6.799 8.473 8.473 1144 1HB PRO 22 2HB PRO 22 -7.204 9.220 9.220 1145 2HB PRO 22 1HB PRO 22 -8.502 8.675 8.675 1146 1HG PRO 22 2HG PRO 22 -6.997 7.144 7.144 1147 2HG PRO 22 1HG PRO 22 -8.738 7.155 7.155 1148 1HD PRO 22 2HD PRO 22 -7.133 5.171 5.171 1149 2HD PRO 22 1HD PRO 22 -8.520 5.733 5.733 1150 H TYR 23 HN TYR 23 -5.583 10.325 10.325 1151 HA TYR 23 HA TYR 23 -2.935 9.532 9.532 1152 1HB TYR 23 2HB TYR 23 -3.732 11.888 11.888 1153 2HB TYR 23 1HB TYR 23 -2.100 11.575 11.575 1154 HD1 TYR 23 2HD TYR 23 -2.097 8.582 8.582 1155 HD2 TYR 23 1HD TYR 23 -3.382 11.716 11.716 1156 HE1 TYR 23 2HE TYR 23 -1.673 7.147 7.147 1157 HE2 TYR 23 1HE TYR 23 -2.959 10.289 10.289 1158 HH TYR 23 HH TYR 23 -2.889 7.557 7.557 1159 H ASP 24 HN ASP 24 -4.905 9.902 9.902 1160 HA ASP 24 HA ASP 24 -4.112 12.451 12.451 1161 1HB ASP 24 2HB ASP 24 -6.783 11.147 11.147 1162 2HB ASP 24 1HB ASP 24 -6.421 12.035 12.035 1163 H ASP 25 HN ASP 25 -3.477 9.301 9.301 1164 HA ASP 25 HA ASP 25 -3.200 9.373 9.373 1165 1HB ASP 25 2HB ASP 25 -4.284 7.125 7.125 1166 2HB ASP 25 1HB ASP 25 -3.594 6.835 6.835 1167 H LYS 26 HN LYS 26 -1.322 8.529 8.529 1168 HA LYS 26 HA LYS 26 0.927 8.447 8.447 1169 1HB LYS 26 2HB LYS 26 0.733 7.368 7.368 1170 2HB LYS 26 1HB LYS 26 2.196 7.860 7.860 1171 1HG LYS 26 2HG LYS 26 1.904 10.010 10.010 1172 2HG LYS 26 1HG LYS 26 0.180 9.962 9.962 1173 1HD LYS 26 2HD LYS 26 -0.362 9.139 9.139 1174 2HD LYS 26 1HD LYS 26 1.324 8.765 8.765 1175 1HE LYS 26 2HE LYS 26 1.857 11.152 11.152 1176 2HE LYS 26 1HE LYS 26 0.173 11.526 11.526 1177 1HZ LYS 26 2HZ LYS 26 -0.432 10.443 10.443 1178 2HZ LYS 26 1HZ LYS 26 1.211 10.261 10.261 1179 3HZ LYS 26 3HZ LYS 26 0.544 11.809 11.809 1180 H HIS 27 HN HIS 27 1.443 6.883 6.883 1181 HA HIS 27 HA HIS 27 0.810 4.101 4.101 1182 1HB HIS 27 2HB HIS 27 0.968 5.385 5.385 1183 2HB HIS 27 1HB HIS 27 0.814 3.652 3.652 1184 HD1 HIS 27 1HD HIS 27 -1.329 3.972 3.972 1185 HD2 HIS 27 2HD HIS 27 -1.512 5.679 5.679 1186 HE1 HIS 27 1HE HIS 27 -3.771 4.453 4.453 1187 H THR 28 HN THR 28 2.651 3.312 3.312 1188 HA THR 28 HA THR 28 5.229 4.022 4.022 1189 HB THR 28 HB THR 28 4.569 2.031 2.031 1190 HG1 THR 28 1HG THR 28 4.118 3.731 3.731 1191 1HG2 THR 28 3HG2 THR 28 6.854 1.862 1.862 1192 2HG2 THR 28 2HG2 THR 28 7.136 3.521 3.521 1193 3HG2 THR 28 1HG2 THR 28 6.811 2.263 2.263 1194 H TYR 29 HN TYR 29 5.624 3.124 3.124 1195 HA TYR 29 HA TYR 29 4.913 0.346 0.346 1196 1HB TYR 29 2HB TYR 29 6.113 2.497 2.497 1197 2HB TYR 29 1HB TYR 29 5.844 0.845 0.845 1198 HD1 TYR 29 2HD TYR 29 3.548 -0.017 -0.017 1199 HD2 TYR 29 1HD TYR 29 4.292 4.044 4.044 1200 HE1 TYR 29 2HE TYR 29 1.239 0.557 0.557 1201 HE2 TYR 29 1HE TYR 29 1.985 4.628 4.628 1202 HH TYR 29 HH TYR 29 -0.084 2.442 2.442 1203 H HIS 30 HN HIS 30 6.257 -1.241 -1.241 1204 HA HIS 30 HA HIS 30 9.063 -0.672 -0.672 1205 1HB HIS 30 2HB HIS 30 7.419 -3.176 -3.176 1206 2HB HIS 30 1HB HIS 30 9.123 -3.028 -3.028 1207 HD1 HIS 30 1HD HIS 30 5.868 -1.217 -1.217 1208 HD2 HIS 30 2HD HIS 30 9.513 -2.300 -2.300 1209 HE1 HIS 30 1HE HIS 30 5.781 -0.492 -0.492 1210 H ILE 31 HN ILE 31 10.740 -1.330 -1.330 1211 HA ILE 31 HA ILE 31 10.144 -2.940 -2.940 1212 HB ILE 31 HB ILE 31 12.265 -0.803 -0.803 1213 1HG1 ILE 31 2HG1 ILE 31 9.778 -0.597 -0.597 1214 2HG1 ILE 31 1HG1 ILE 31 9.764 -0.094 -0.094 1215 1HG2 ILE 31 3HG2 ILE 31 12.229 -2.920 -2.920 1216 2HG2 ILE 31 2HG2 ILE 31 11.322 -1.741 -1.741 1217 3HG2 ILE 31 1HG2 ILE 31 12.953 -1.360 -1.360 1218 1HD1 ILE 31 3HD1 ILE 31 11.723 1.397 1.397 1219 2HD1 ILE 31 2HD1 ILE 31 11.365 1.045 1.045 1220 3HD1 ILE 31 1HD1 ILE 31 10.161 1.847 1.847 1221 H LYS 32 HN LYS 32 11.368 -4.711 -4.711 1222 HA LYS 32 HA LYS 32 13.443 -5.297 -5.297 1223 1HB LYS 32 2HB LYS 32 11.376 -6.824 -6.824 1224 2HB LYS 32 1HB LYS 32 12.847 -7.469 -7.469 1225 1HG LYS 32 2HG LYS 32 13.724 -7.483 -7.483 1226 2HG LYS 32 1HG LYS 32 12.013 -7.386 -7.386 1227 1HD LYS 32 2HD LYS 32 11.631 -9.386 -9.386 1228 2HD LYS 32 1HD LYS 32 13.383 -9.525 -9.525 1229 1HE LYS 32 2HE LYS 32 11.775 -9.691 -9.691 1230 2HE LYS 32 1HE LYS 32 12.598 -11.019 -11.019 1231 1HZ LYS 32 3HZ LYS 32 14.582 -9.228 -9.228 1232 2HZ LYS 32 2HZ LYS 32 13.661 -9.008 -9.008 1233 3HZ LYS 32 1HZ LYS 32 14.265 -10.541 -10.541 1234 H ILE 33 HN ILE 33 15.532 -5.714 -5.714 1235 HA ILE 33 HA ILE 33 16.314 -5.655 -5.655 1236 HB ILE 33 HB ILE 33 17.782 -4.175 -4.175 1237 1HG1 ILE 33 2HG1 ILE 33 16.400 -2.828 -2.828 1238 2HG1 ILE 33 1HG1 ILE 33 15.461 -3.301 -3.301 1239 1HG2 ILE 33 2HG2 ILE 33 18.268 -4.609 -4.609 1240 2HG2 ILE 33 1HG2 ILE 33 18.856 -3.147 -3.147 1241 3HG2 ILE 33 3HG2 ILE 33 19.391 -4.729 -4.729 1242 1HD1 ILE 33 3HD1 ILE 33 17.959 -1.726 -1.726 1243 2HD1 ILE 33 2HD1 ILE 33 16.485 -0.919 -0.919 1244 3HD1 ILE 33 1HD1 ILE 33 16.507 -1.788 -1.788 1245 H THR 34 HN THR 34 18.148 -6.871 -6.871 1246 HA THR 34 HA THR 34 19.575 -8.253 -8.253 1247 HB THR 34 HB THR 34 17.910 -9.707 -9.707 1248 HG1 THR 34 1HG THR 34 16.600 -9.876 -9.876 1249 1HG2 THR 34 1HG2 THR 34 20.115 -10.794 -10.794 1250 2HG2 THR 34 3HG2 THR 34 19.807 -10.939 -10.939 1251 3HG2 THR 34 2HG2 THR 34 18.772 -11.782 -11.782 1252 H ASN 35 HN ASN 35 21.465 -9.371 -9.371 1253 HA ASN 35 HA ASN 35 22.560 -8.165 -8.165 1254 1HB ASN 35 2HB ASN 35 23.649 -8.243 -8.243 1255 2HB ASN 35 1HB ASN 35 24.262 -9.779 -9.779 1256 1HD2 ASN 35 2HD2 ASN 35 26.961 -7.831 -7.831 1257 2HD2 ASN 35 1HD2 ASN 35 26.370 -8.907 -8.907 1258 H ALA 36 HN ALA 36 22.330 -9.344 -9.344 1259 HA ALA 36 HA ALA 36 22.226 -12.251 -12.251 1260 1HB ALA 36 2HB ALA 36 20.675 -10.705 -10.705 1261 2HB ALA 36 1HB ALA 36 22.008 -10.726 -10.726 1262 3HB ALA 36 3HB ALA 36 21.232 -12.236 -12.236 1263 H GLY 37 HN GLY 37 24.742 -10.516 -10.516 1264 1HA GLY 37 2HA GLY 37 26.301 -11.704 -11.704 1265 2HA GLY 37 1HA GLY 37 26.781 -10.288 -10.288 1266 H GLY 38 HN GLY 38 28.712 -10.963 -10.963 1267 1HA GLY 38 2HA GLY 38 28.598 -12.987 -12.987 1268 2HA GLY 38 1HA GLY 38 29.679 -13.331 -13.331 1269 H ARG 39 HN ARG 39 28.923 -10.401 -10.401 1270 HA ARG 39 HA ARG 39 31.376 -10.305 -10.305 1271 1HB ARG 39 2HB ARG 39 31.439 -9.333 -9.333 1272 2HB ARG 39 1HB ARG 39 31.831 -8.050 -8.050 1273 1HG ARG 39 2HG ARG 39 33.649 -9.290 -9.290 1274 2HG ARG 39 1HG ARG 39 33.172 -10.741 -10.741 1275 1HD ARG 39 2HD ARG 39 34.980 -9.820 -9.820 1276 2HD ARG 39 1HD ARG 39 33.532 -9.405 -9.405 1277 HE ARG 39 HE ARG 39 34.384 -7.381 -7.381 1278 1HH1 ARG 39 1HH2 ARG 39 34.669 -8.623 -8.623 1279 2HH1 ARG 39 2HH2 ARG 39 35.189 -7.113 -7.113 1280 1HH2 ARG 39 1HH1 ARG 39 35.068 -5.389 -5.389 1281 2HH2 ARG 39 2HH1 ARG 39 35.417 -5.275 -5.275 1282 H ARG 40 HN ARG 40 31.813 -7.894 -7.894 1283 HA ARG 40 HA ARG 40 29.372 -7.015 -7.015 1284 1HB ARG 40 2HB ARG 40 31.798 -7.015 -7.015 1285 2HB ARG 40 1HB ARG 40 31.944 -5.479 -5.479 1286 1HG ARG 40 2HG ARG 40 30.070 -4.585 -4.585 1287 2HG ARG 40 1HG ARG 40 29.870 -6.133 -6.133 1288 1HD ARG 40 2HD ARG 40 32.051 -4.106 -4.106 1289 2HD ARG 40 1HD ARG 40 31.089 -4.888 -4.888 1290 HE ARG 40 HE ARG 40 33.520 -5.860 -5.860 1291 1HH1 ARG 40 1HH2 ARG 40 30.559 -6.773 -6.773 1292 2HH1 ARG 40 2HH2 ARG 40 31.193 -8.266 -8.266 1293 1HH2 ARG 40 1HH1 ARG 40 34.366 -7.823 -7.823 1294 2HH2 ARG 40 2HH1 ARG 40 33.358 -8.864 -8.864 1295 H ILE 41 HN ILE 41 28.424 -4.937 -4.937 1296 HA ILE 41 HA ILE 41 29.262 -3.254 -3.254 1297 HB ILE 41 HB ILE 41 26.844 -3.114 -3.114 1298 1HG1 ILE 41 2HG1 ILE 41 26.523 -5.878 -5.878 1299 2HG1 ILE 41 1HG1 ILE 41 26.172 -4.501 -4.501 1300 1HG2 ILE 41 3HG2 ILE 41 28.823 -4.380 -4.380 1301 2HG2 ILE 41 2HG2 ILE 41 27.988 -5.829 -5.829 1302 3HG2 ILE 41 1HG2 ILE 41 27.185 -4.723 -4.723 1303 1HD1 ILE 41 1HD1 ILE 41 24.955 -4.490 -4.490 1304 2HD1 ILE 41 3HD1 ILE 41 24.336 -5.661 -5.661 1305 3HD1 ILE 41 2HD1 ILE 41 24.308 -3.939 -3.939 1306 H GLY 42 HN GLY 42 27.916 -1.236 -1.236 1307 1HA GLY 42 2HA GLY 42 26.873 -0.466 -0.466 1308 2HA GLY 42 1HA GLY 42 28.042 0.552 0.552 1309 H TRP 43 HN TRP 43 24.758 -0.177 -0.177 1310 HA TRP 43 HA TRP 43 24.009 1.273 1.273 1311 1HB TRP 43 2HB TRP 43 21.747 0.375 0.375 1312 2HB TRP 43 1HB TRP 43 22.951 -0.904 -0.904 1313 HD1 TRP 43 1HD TRP 43 23.729 -2.023 -2.023 1314 HE1 TRP 43 1HE TRP 43 22.329 -2.436 -2.436 1315 HE3 TRP 43 3HE TRP 43 19.878 1.207 1.207 1316 HZ2 TRP 43 2HZ TRP 43 19.911 -1.514 -1.514 1317 HZ3 TRP 43 3HZ TRP 43 18.061 1.383 1.383 1318 HH2 TRP 43 2HH TRP 43 18.079 0.049 0.049 1319 H ALA 44 HN ALA 44 22.237 2.791 2.791 1320 HA ALA 44 HA ALA 44 21.563 3.977 3.977 1321 1HB ALA 44 3HB ALA 44 23.739 5.001 5.001 1322 2HB ALA 44 2HB ALA 44 23.230 5.541 5.541 1323 3HB ALA 44 1HB ALA 44 22.458 6.202 6.202 1324 H ILE 45 HN ILE 45 19.710 5.217 5.217 1325 HA ILE 45 HA ILE 45 18.333 5.131 5.131 1326 HB ILE 45 HB ILE 45 17.079 5.844 5.844 1327 1HG1 ILE 45 2HG1 ILE 45 18.171 3.674 3.674 1328 2HG1 ILE 45 1HG1 ILE 45 16.423 3.472 3.472 1329 1HG2 ILE 45 1HG2 ILE 45 16.123 5.147 5.147 1330 2HG2 ILE 45 3HG2 ILE 45 15.145 4.650 4.650 1331 3HG2 ILE 45 2HG2 ILE 45 15.523 6.354 6.354 1332 1HD1 ILE 45 2HD1 ILE 45 18.301 3.029 3.029 1333 2HD1 ILE 45 1HD1 ILE 45 17.646 1.762 1.762 1334 3HD1 ILE 45 3HD1 ILE 45 16.565 2.719 2.719 1335 H LYS 46 HN LYS 46 17.117 6.930 6.930 1336 HA LYS 46 HA LYS 46 17.616 9.535 9.535 1337 1HB LYS 46 2HB LYS 46 18.581 8.779 8.779 1338 2HB LYS 46 1HB LYS 46 18.394 10.443 10.443 1339 1HG LYS 46 2HG LYS 46 20.097 8.500 8.500 1340 2HG LYS 46 1HG LYS 46 20.718 9.384 9.384 1341 1HD LYS 46 2HD LYS 46 19.306 11.047 11.047 1342 2HD LYS 46 1HD LYS 46 20.774 10.284 10.284 1343 1HE LYS 46 2HE LYS 46 21.980 11.173 11.173 1344 2HE LYS 46 1HE LYS 46 20.517 12.061 12.061 1345 1HZ LYS 46 2HZ LYS 46 20.698 13.047 13.047 1346 2HZ LYS 46 1HZ LYS 46 22.277 12.441 12.441 1347 3HZ LYS 46 3HZ LYS 46 21.826 13.574 13.574 1348 H THR 47 HN THR 47 15.904 10.846 10.846 1349 HA THR 47 HA THR 47 13.897 10.094 10.094 1350 HB THR 47 HB THR 47 12.141 10.588 10.588 1351 HG1 THR 47 1HG THR 47 14.117 11.734 11.734 1352 1HG2 THR 47 3HG2 THR 47 14.230 8.838 8.838 1353 2HG2 THR 47 2HG2 THR 47 13.246 9.511 9.511 1354 3HG2 THR 47 1HG2 THR 47 12.480 8.620 8.620 1355 H THR 48 HN THR 48 12.735 11.767 11.767 1356 HA THR 48 HA THR 48 14.186 14.064 14.064 1357 HB THR 48 HB THR 48 11.803 14.854 14.854 1358 HG1 THR 48 1HG THR 48 10.826 13.146 13.146 1359 1HG2 THR 48 2HG2 THR 48 13.713 13.770 13.770 1360 2HG2 THR 48 1HG2 THR 48 12.697 12.330 12.330 1361 3HG2 THR 48 3HG2 THR 48 12.079 13.813 13.813 1362 H ASN 49 HN ASN 49 11.802 13.458 13.458 1363 HA ASN 49 HA ASN 49 12.260 16.176 16.176 1364 1HB ASN 49 2HB ASN 49 9.691 14.737 14.737 1365 2HB ASN 49 1HB ASN 49 9.812 15.756 15.756 1366 1HD2 ASN 49 2HD2 ASN 49 9.330 18.695 18.695 1367 2HD2 ASN 49 1HD2 ASN 49 9.401 17.838 17.838 1368 H MET 50 HN MET 50 13.466 15.912 15.912 1369 HA MET 50 HA MET 50 13.032 13.583 13.583 1370 1HB MET 50 2HB MET 50 15.214 15.671 15.671 1371 2HB MET 50 1HB MET 50 15.150 14.180 14.180 1372 1HG MET 50 2HG MET 50 14.914 13.577 13.577 1373 2HG MET 50 1HG MET 50 16.317 14.609 14.609 1374 1HE MET 50 2HE MET 50 14.374 11.676 11.676 1375 2HE MET 50 1HE MET 50 15.616 10.641 10.641 1376 3HE MET 50 3HE MET 50 15.204 12.171 12.171 1377 H ARG 51 HN ARG 51 11.225 15.961 15.961 1378 HA ARG 51 HA ARG 51 11.468 16.883 16.883 1379 1HB ARG 51 2HB ARG 51 9.692 18.187 18.187 1380 2HB ARG 51 1HB ARG 51 10.399 18.877 18.877 1381 1HG ARG 51 2HG ARG 51 12.551 18.099 18.099 1382 2HG ARG 51 1HG ARG 51 11.386 18.906 18.906 1383 1HD ARG 51 2HD ARG 51 13.033 20.459 20.459 1384 2HD ARG 51 1HD ARG 51 11.369 20.847 20.847 1385 HE ARG 51 HE ARG 51 11.889 20.442 20.442 1386 1HH1 ARG 51 1HH2 ARG 51 14.352 19.045 19.045 1387 2HH1 ARG 51 2HH2 ARG 51 15.391 18.632 18.632 1388 1HH2 ARG 51 1HH1 ARG 51 13.250 19.902 19.902 1389 2HH2 ARG 51 2HH1 ARG 51 14.763 19.119 19.119 1390 H ARG 52 HN ARG 52 8.985 16.082 16.082 1391 HA ARG 52 HA ARG 52 7.037 15.554 15.554 1392 1HB ARG 52 2HB ARG 52 7.014 15.781 15.781 1393 2HB ARG 52 1HB ARG 52 5.805 14.722 14.722 1394 1HG ARG 52 2HG ARG 52 4.690 16.435 16.435 1395 2HG ARG 52 1HG ARG 52 6.135 17.437 17.437 1396 1HD ARG 52 2HD ARG 52 5.844 17.225 17.225 1397 2HD ARG 52 1HD ARG 52 4.170 17.264 17.264 1398 HE ARG 52 HE ARG 52 6.075 19.420 19.420 1399 1HH1 ARG 52 1HH2 ARG 52 3.146 18.131 18.131 1400 2HH1 ARG 52 2HH2 ARG 52 2.570 19.672 19.672 1401 1HH2 ARG 52 1HH1 ARG 52 5.326 21.454 21.454 1402 2HH2 ARG 52 2HH1 ARG 52 3.809 21.562 21.562 1403 H LEU 53 HN LEU 53 9.198 13.765 13.765 1404 HA LEU 53 HA LEU 53 7.943 11.223 11.223 1405 1HB LEU 53 2HB LEU 53 10.238 11.902 11.902 1406 2HB LEU 53 1HB LEU 53 9.686 10.267 10.267 1407 HG LEU 53 HG LEU 53 8.025 12.453 12.453 1408 1HD1 LEU 53 3HD1 LEU 53 9.578 10.157 10.157 1409 2HD1 LEU 53 2HD1 LEU 53 8.214 10.883 10.883 1410 3HD1 LEU 53 1HD1 LEU 53 9.626 11.861 11.861 1411 1HD2 LEU 53 3HD2 LEU 53 7.388 9.827 9.827 1412 2HD2 LEU 53 2HD2 LEU 53 6.326 11.171 11.171 1413 3HD2 LEU 53 1HD2 LEU 53 6.853 10.042 10.042 1414 H SER 54 HN SER 54 9.198 9.478 9.478 1415 HA SER 54 HA SER 54 11.665 10.201 10.201 1416 1HB SER 54 2HB SER 54 10.405 8.854 8.854 1417 2HB SER 54 1HB SER 54 10.504 10.612 10.612 1418 HG SER 54 HG SER 54 8.366 10.075 10.075 1419 H VAL 55 HN VAL 55 13.033 8.499 8.499 1420 HA VAL 55 HA VAL 55 12.065 5.794 5.794 1421 HB VAL 55 HB VAL 55 12.898 6.402 6.402 1422 1HG1 VAL 55 1HG1 VAL 55 15.328 7.499 7.499 1423 2HG1 VAL 55 3HG1 VAL 55 15.140 7.372 7.372 1424 3HG1 VAL 55 2HG1 VAL 55 14.073 8.427 8.427 1425 1HG2 VAL 55 2HG2 VAL 55 13.652 4.198 4.198 1426 2HG2 VAL 55 1HG2 VAL 55 14.782 4.926 4.926 1427 3HG2 VAL 55 3HG2 VAL 55 15.145 4.932 4.932 1428 H ASP 56 HN ASP 56 13.580 4.130 4.130 1429 HA ASP 56 HA ASP 56 15.883 4.607 4.607 1430 1HB ASP 56 2HB ASP 56 13.705 5.361 5.361 1431 2HB ASP 56 1HB ASP 56 13.825 3.669 3.669 1432 HA PRO 57 HA PRO 57 17.432 3.536 3.536 1433 1HB PRO 57 2HB PRO 57 19.483 2.063 2.063 1434 2HB PRO 57 1HB PRO 57 18.618 1.630 1.630 1435 1HG PRO 57 2HG PRO 57 18.312 0.526 0.526 1436 2HG PRO 57 1HG PRO 57 18.352 -0.335 -0.335 1437 1HD PRO 57 2HD PRO 57 16.045 0.246 0.246 1438 2HD PRO 57 1HD PRO 57 16.141 0.102 0.102 1439 HA PRO 58 HA PRO 58 18.089 5.771 5.771 1440 1HB PRO 58 2HB PRO 58 20.109 7.388 7.388 1441 2HB PRO 58 1HB PRO 58 18.455 7.591 7.591 1442 1HG PRO 58 2HG PRO 58 20.796 6.280 6.280 1443 2HG PRO 58 1HG PRO 58 19.589 7.381 7.381 1444 1HD PRO 58 2HD PRO 58 19.488 4.680 4.680 1445 2HD PRO 58 1HD PRO 58 18.041 5.705 5.705 1446 H CYS 59 HN CYS 59 20.463 3.705 3.705 1447 HA CYS 59 HA CYS 59 21.550 2.928 2.928 1448 1HB CYS 59 2HB CYS 59 23.884 3.919 3.919 1449 2HB CYS 59 1HB CYS 59 22.636 5.005 5.005 1450 HG CYS 59 HG CYS 59 22.857 5.270 5.270 1451 H GLY 60 HN GLY 60 23.719 1.718 1.718 1452 1HA GLY 60 2HA GLY 60 24.674 0.933 0.933 1453 2HA GLY 60 1HA GLY 60 23.306 -0.120 -0.120 1454 H VAL 61 HN VAL 61 25.587 -1.390 -1.390 1455 HA VAL 61 HA VAL 61 26.672 -1.861 -1.861 1456 HB VAL 61 HB VAL 61 27.848 -2.788 -2.788 1457 1HG1 VAL 61 3HG1 VAL 61 28.355 -3.726 -3.726 1458 2HG1 VAL 61 2HG1 VAL 61 29.524 -2.411 -2.411 1459 3HG1 VAL 61 1HG1 VAL 61 29.541 -3.693 -3.693 1460 1HG2 VAL 61 1HG2 VAL 61 27.698 -0.164 -0.164 1461 2HG2 VAL 61 3HG2 VAL 61 28.788 -0.795 -0.795 1462 3HG2 VAL 61 2HG2 VAL 61 29.319 -0.698 -0.698 1463 H LEU 62 HN LEU 62 25.791 -3.520 -3.520 1464 HA LEU 62 HA LEU 62 24.489 -5.656 -5.656 1465 1HB LEU 62 2HB LEU 62 23.940 -4.410 -4.410 1466 2HB LEU 62 1HB LEU 62 24.678 -5.906 -5.906 1467 HG LEU 62 HG LEU 62 23.018 -7.169 -7.169 1468 1HD1 LEU 62 3HD1 LEU 62 22.021 -4.397 -4.397 1469 2HD1 LEU 62 2HD1 LEU 62 20.959 -5.803 -5.803 1470 3HD1 LEU 62 1HD1 LEU 62 22.371 -5.702 -5.702 1471 1HD2 LEU 62 2HD2 LEU 62 22.753 -6.461 -6.461 1472 2HD2 LEU 62 1HD2 LEU 62 21.326 -7.035 -7.035 1473 3HD2 LEU 62 3HD2 LEU 62 21.568 -5.307 -5.307 1474 H ASP 63 HN ASP 63 24.818 -7.939 -7.939 1475 HA ASP 63 HA ASP 63 27.658 -8.427 -8.427 1476 1HB ASP 63 2HB ASP 63 26.238 -9.117 -9.117 1477 2HB ASP 63 1HB ASP 63 26.676 -10.598 -10.598 1478 HA PRO 64 HA PRO 64 26.575 -11.463 -11.463 1479 1HB PRO 64 2HB PRO 64 27.676 -13.715 -13.715 1480 2HB PRO 64 1HB PRO 64 28.143 -13.122 -13.122 1481 1HG PRO 64 2HG PRO 64 29.696 -12.710 -12.710 1482 2HG PRO 64 1HG PRO 64 29.530 -11.484 -11.484 1483 1HD PRO 64 2HD PRO 64 28.256 -11.597 -11.597 1484 2HD PRO 64 1HD PRO 64 28.923 -10.202 -10.202 1485 H LYS 65 HN LYS 65 24.466 -11.905 -11.905 1486 HA LYS 65 HA LYS 65 22.445 -12.925 -12.925 1487 1HB LYS 65 2HB LYS 65 23.881 -14.946 -14.946 1488 2HB LYS 65 1HB LYS 65 22.357 -15.169 -15.169 1489 1HG LYS 65 2HG LYS 65 24.637 -14.418 -14.418 1490 2HG LYS 65 1HG LYS 65 24.746 -16.002 -16.002 1491 1HD LYS 65 2HD LYS 65 22.104 -15.650 -15.650 1492 2HD LYS 65 1HD LYS 65 23.265 -15.265 -15.265 1493 1HE LYS 65 2HE LYS 65 24.405 -17.486 -17.486 1494 2HE LYS 65 1HE LYS 65 22.755 -17.834 -17.834 1495 1HZ LYS 65 1HZ LYS 65 23.581 -17.143 -17.143 1496 2HZ LYS 65 3HZ LYS 65 23.223 -18.701 -18.701 1497 3HZ LYS 65 2HZ LYS 65 22.011 -17.522 -17.522 1498 H GLU 66 HN GLU 66 23.269 -10.882 -10.882 1499 HA GLU 66 HA GLU 66 21.950 -11.706 -11.706 1500 1HB GLU 66 2HB GLU 66 23.996 -9.754 -9.754 1501 2HB GLU 66 1HB GLU 66 22.734 -9.061 -9.061 1502 1HG GLU 66 2HG GLU 66 23.384 -11.548 -11.548 1503 2HG GLU 66 1HG GLU 66 24.909 -10.759 -10.759 1504 H LYS 67 HN LYS 67 20.177 -10.592 -10.592 1505 HA LYS 67 HA LYS 67 18.676 -9.002 -9.002 1506 1HB LYS 67 2HB LYS 67 17.465 -10.551 -10.551 1507 2HB LYS 67 1HB LYS 67 16.649 -9.877 -9.877 1508 1HG LYS 67 2HG LYS 67 18.056 -11.488 -11.488 1509 2HG LYS 67 1HG LYS 67 18.433 -12.282 -12.282 1510 1HD LYS 67 2HD LYS 67 15.707 -12.009 -12.009 1511 2HD LYS 67 1HD LYS 67 15.979 -12.329 -12.329 1512 1HE LYS 67 2HE LYS 67 16.978 -14.007 -14.007 1513 2HE LYS 67 1HE LYS 67 15.619 -14.399 -14.399 1514 1HZ LYS 67 3HZ LYS 67 17.386 -14.156 -14.156 1515 2HZ LYS 67 2HZ LYS 67 18.496 -14.410 -14.410 1516 3HZ LYS 67 1HZ LYS 67 17.325 -15.582 -15.582 1517 H VAL 68 HN VAL 68 17.311 -7.311 -7.311 1518 HA VAL 68 HA VAL 68 17.783 -6.378 -6.378 1519 HB VAL 68 HB VAL 68 19.650 -5.387 -5.387 1520 1HG1 VAL 68 1HG1 VAL 68 18.289 -5.365 -5.365 1521 2HG1 VAL 68 3HG1 VAL 68 17.680 -3.810 -3.810 1522 3HG1 VAL 68 2HG1 VAL 68 19.408 -4.037 -4.037 1523 1HG2 VAL 68 2HG2 VAL 68 18.521 -4.170 -4.170 1524 2HG2 VAL 68 1HG2 VAL 68 19.340 -3.120 -3.120 1525 3HG2 VAL 68 3HG2 VAL 68 17.585 -3.291 -3.291 1526 H LEU 69 HN LEU 69 16.196 -4.998 -4.998 1527 HA LEU 69 HA LEU 69 13.801 -4.848 -4.848 1528 1HB LEU 69 2HB LEU 69 14.297 -5.293 -5.293 1529 2HB LEU 69 1HB LEU 69 13.352 -3.824 -3.824 1530 HG LEU 69 HG LEU 69 12.607 -6.556 -6.556 1531 1HD1 LEU 69 3HD1 LEU 69 11.826 -4.907 -4.907 1532 2HD1 LEU 69 2HD1 LEU 69 10.597 -5.909 -5.909 1533 3HD1 LEU 69 1HD1 LEU 69 12.063 -6.651 -6.651 1534 1HD2 LEU 69 1HD2 LEU 69 11.822 -3.983 -3.983 1535 2HD2 LEU 69 3HD2 LEU 69 11.259 -5.571 -5.571 1536 3HD2 LEU 69 2HD2 LEU 69 10.447 -4.738 -4.738 1537 H MET 70 HN MET 70 12.874 -2.980 -2.980 1538 HA MET 70 HA MET 70 14.136 -0.456 -0.456 1539 1HB MET 70 2HB MET 70 14.394 -1.539 -1.539 1540 2HB MET 70 1HB MET 70 13.003 -0.484 -0.484 1541 1HG MET 70 2HG MET 70 14.904 1.005 1.005 1542 2HG MET 70 1HG MET 70 15.781 0.179 0.179 1543 1HE MET 70 2HE MET 70 14.207 -0.227 -0.227 1544 2HE MET 70 1HE MET 70 13.626 1.174 1.174 1545 3HE MET 70 3HE MET 70 15.352 0.971 0.971 1546 H ALA 71 HN ALA 71 12.777 1.440 1.440 1547 HA ALA 71 HA ALA 71 9.903 0.918 0.918 1548 1HB ALA 71 3HB ALA 71 11.299 2.088 2.088 1549 2HB ALA 71 2HB ALA 71 9.576 2.308 2.308 1550 3HB ALA 71 1HB ALA 71 10.229 0.688 0.688 1551 H VAL 72 HN VAL 72 8.655 2.691 2.691 1552 HA VAL 72 HA VAL 72 10.010 5.244 5.244 1553 HB VAL 72 HB VAL 72 8.434 3.836 3.836 1554 1HG1 VAL 72 2HG1 VAL 72 9.196 6.587 6.587 1555 2HG1 VAL 72 1HG1 VAL 72 9.904 5.945 5.945 1556 3HG1 VAL 72 3HG1 VAL 72 8.158 5.879 5.879 1557 1HG2 VAL 72 1HG2 VAL 72 11.333 3.988 3.988 1558 2HG2 VAL 72 3HG2 VAL 72 10.397 2.704 2.704 1559 3HG2 VAL 72 2HG2 VAL 72 10.844 4.141 4.141 1560 H SER 73 HN SER 73 8.742 6.150 6.150 1561 HA SER 73 HA SER 73 5.863 5.939 5.939 1562 1HB SER 73 2HB SER 73 6.895 6.036 6.036 1563 2HB SER 73 1HB SER 73 7.711 7.547 7.547 1564 HG SER 73 HG SER 73 5.618 7.570 7.570 1565 H CYS 74 HN CYS 74 4.419 7.684 7.684 1566 HA CYS 74 HA CYS 74 5.531 10.068 10.068 1567 1HB CYS 74 2HB CYS 74 3.617 9.933 9.933 1568 2HB CYS 74 1HB CYS 74 4.883 8.726 8.726 1569 HG CYS 74 HG CYS 74 3.292 6.925 6.925 1570 H ASP 75 HN ASP 75 4.872 11.781 11.781 1571 HA ASP 75 HA ASP 75 2.794 11.734 11.734 1572 1HB ASP 75 2HB ASP 75 4.127 14.104 14.104 1573 2HB ASP 75 1HB ASP 75 3.119 14.182 14.182 1574 H THR 76 HN THR 76 0.708 12.503 12.503 1575 HA THR 76 HA THR 76 -0.777 12.238 12.238 1576 HB THR 76 HB THR 76 -2.636 12.927 12.927 1577 HG1 THR 76 1HG THR 76 -2.555 14.365 14.365 1578 1HG2 THR 76 3HG2 THR 76 -1.320 10.994 10.994 1579 2HG2 THR 76 2HG2 THR 76 -0.864 12.161 12.161 1580 3HG2 THR 76 1HG2 THR 76 -2.565 11.778 11.778 1581 H PHE 77 HN PHE 77 -1.176 13.535 13.535 1582 HA PHE 77 HA PHE 77 -0.732 16.422 16.422 1583 1HB PHE 77 2HB PHE 77 0.485 16.569 16.569 1584 2HB PHE 77 1HB PHE 77 1.237 15.295 15.295 1585 HD1 PHE 77 2HD PHE 77 0.920 12.936 12.936 1586 HD2 PHE 77 1HD PHE 77 -0.584 16.105 16.105 1587 HE1 PHE 77 2HE PHE 77 0.656 11.373 11.373 1588 HE2 PHE 77 1HE PHE 77 -0.851 14.548 14.548 1589 HZ PHE 77 HZ PHE 77 -0.231 12.178 12.178 1590 H ASN 78 HN ASN 78 -1.333 17.253 17.253 1591 HA ASN 78 HA ASN 78 -4.085 16.277 16.277 1592 1HB ASN 78 2HB ASN 78 -3.085 19.118 19.118 1593 2HB ASN 78 1HB ASN 78 -4.731 18.572 18.572 1594 1HD2 ASN 78 2HD2 ASN 78 -4.609 20.051 20.051 1595 2HD2 ASN 78 1HD2 ASN 78 -4.308 20.584 20.584 1596 H ALA 79 HN ALA 79 -4.380 15.384 15.384 1597 HA ALA 79 HA ALA 79 -2.519 16.016 16.016 1598 1HB ALA 79 1HB ALA 79 -4.455 13.742 13.742 1599 2HB ALA 79 3HB ALA 79 -3.502 13.986 13.986 1600 3HB ALA 79 2HB ALA 79 -2.693 13.682 13.682 1601 H ALA 80 HN ALA 80 -4.974 17.616 17.616 1602 HA ALA 80 HA ALA 80 -6.659 17.499 17.499 1603 1HB ALA 80 1HB ALA 80 -7.098 18.192 18.192 1604 2HB ALA 80 3HB ALA 80 -7.273 19.690 19.690 1605 3HB ALA 80 2HB ALA 80 -8.249 18.280 18.280 1606 H THR 81 HN THR 81 -4.053 19.362 19.362 1607 HA THR 81 HA THR 81 -4.075 21.029 21.029 1608 HB THR 81 HB THR 81 -3.630 23.060 23.060 1609 HG1 THR 81 1HG THR 81 -4.211 21.356 21.356 1610 1HG2 THR 81 3HG2 THR 81 -5.942 22.511 22.511 1611 2HG2 THR 81 2HG2 THR 81 -6.186 21.752 21.752 1612 3HG2 THR 81 1HG2 THR 81 -5.844 23.481 23.481 1613 H GLU 82 HN GLU 82 -2.432 18.847 18.847 1614 HA GLU 82 HA GLU 82 0.171 20.182 20.182 1615 1HB GLU 82 2HB GLU 82 -0.793 17.905 17.905 1616 2HB GLU 82 1HB GLU 82 0.897 17.941 17.941 1617 1HG GLU 82 2HG GLU 82 -0.338 20.351 20.351 1618 2HG GLU 82 1HG GLU 82 0.156 18.991 18.991 1619 H ASP 83 HN ASP 83 1.924 18.925 18.925 1620 HA ASP 83 HA ASP 83 0.982 17.499 17.499 1621 1HB ASP 83 2HB ASP 83 2.795 19.344 19.344 1622 2HB ASP 83 1HB ASP 83 3.864 18.076 18.076 1623 H LEU 84 HN LEU 84 1.218 15.369 15.369 1624 HA LEU 84 HA LEU 84 2.732 13.797 13.797 1625 1HB LEU 84 2HB LEU 84 0.299 12.750 12.750 1626 2HB LEU 84 1HB LEU 84 1.076 12.130 12.130 1627 HG LEU 84 HG LEU 84 -0.645 14.589 14.589 1628 1HD1 LEU 84 1HD1 LEU 84 -1.196 11.914 11.914 1629 2HD1 LEU 84 3HD1 LEU 84 -1.250 12.792 12.792 1630 3HD1 LEU 84 2HD1 LEU 84 -2.265 13.306 13.306 1631 1HD2 LEU 84 2HD2 LEU 84 1.528 14.065 14.065 1632 2HD2 LEU 84 1HD2 LEU 84 0.550 15.519 15.519 1633 3HD2 LEU 84 3HD2 LEU 84 -0.011 14.220 14.220 1634 H ASN 85 HN ASN 85 4.200 14.512 14.512 1635 HA ASN 85 HA ASN 85 4.548 12.057 12.057 1636 1HB ASN 85 2HB ASN 85 3.691 14.631 14.631 1637 2HB ASN 85 1HB ASN 85 4.942 13.732 13.732 1638 1HD2 ASN 85 2HD2 ASN 85 1.173 12.731 12.731 1639 2HD2 ASN 85 1HD2 ASN 85 1.754 14.240 14.240 1640 H ASN 86 HN ASN 86 5.945 13.660 13.660 1641 HA ASN 86 HA ASN 86 8.542 13.808 13.808 1642 1HB ASN 86 2HB ASN 86 7.481 15.808 15.808 1643 2HB ASN 86 1HB ASN 86 9.134 15.773 15.773 1644 1HD2 ASN 86 2HD2 ASN 86 6.262 17.637 17.637 1645 2HD2 ASN 86 1HD2 ASN 86 6.061 17.000 17.000 1646 H ASP 87 HN ASP 87 6.859 12.152 12.152 1647 HA ASP 87 HA ASP 87 8.912 12.055 12.055 1648 1HB ASP 87 2HB ASP 87 6.249 10.631 10.631 1649 2HB ASP 87 1HB ASP 87 7.334 10.568 10.568 1650 H ARG 88 HN ARG 88 10.631 10.851 10.851 1651 HA ARG 88 HA ARG 88 10.187 8.081 8.081 1652 1HB ARG 88 2HB ARG 88 11.695 10.134 10.134 1653 2HB ARG 88 1HB ARG 88 12.274 8.473 8.473 1654 1HG ARG 88 2HG ARG 88 10.746 7.886 7.886 1655 2HG ARG 88 1HG ARG 88 9.447 8.522 8.522 1656 1HD ARG 88 2HD ARG 88 9.236 9.791 9.791 1657 2HD ARG 88 1HD ARG 88 10.224 10.829 10.829 1658 HE ARG 88 HE ARG 88 11.884 9.193 9.193 1659 1HH1 ARG 88 1HH2 ARG 88 9.744 11.929 11.929 1660 2HH1 ARG 88 2HH2 ARG 88 10.556 12.614 12.614 1661 1HH2 ARG 88 1HH1 ARG 88 12.961 10.084 10.084 1662 2HH2 ARG 88 2HH1 ARG 88 12.385 11.564 11.564 1663 H ILE 89 HN ILE 89 11.567 6.669 6.669 1664 HA ILE 89 HA ILE 89 13.530 7.761 7.761 1665 HB ILE 89 HB ILE 89 12.723 4.870 4.870 1666 1HG1 ILE 89 2HG1 ILE 89 11.429 7.028 7.028 1667 2HG1 ILE 89 1HG1 ILE 89 10.690 6.202 6.202 1668 1HG2 ILE 89 3HG2 ILE 89 14.121 6.524 6.524 1669 2HG2 ILE 89 2HG2 ILE 89 13.288 5.037 5.037 1670 3HG2 ILE 89 1HG2 ILE 89 14.606 4.988 4.988 1671 1HD1 ILE 89 1HD1 ILE 89 10.865 4.077 4.077 1672 2HD1 ILE 89 3HD1 ILE 89 11.468 4.988 4.988 1673 3HD1 ILE 89 2HD1 ILE 89 9.838 5.279 5.279 1674 H THR 90 HN THR 90 15.620 6.572 6.572 1675 HA THR 90 HA THR 90 16.568 5.290 5.290 1676 HB THR 90 HB THR 90 18.064 7.623 7.623 1677 HG1 THR 90 1HG THR 90 17.140 8.908 8.908 1678 1HG2 THR 90 1HG2 THR 90 18.918 5.665 5.665 1679 2HG2 THR 90 3HG2 THR 90 18.524 7.038 7.038 1680 3HG2 THR 90 2HG2 THR 90 19.674 7.231 7.231 1681 H ILE 91 HN ILE 91 17.717 3.556 3.556 1682 HA ILE 91 HA ILE 91 19.023 3.452 3.452 1683 HB ILE 91 HB ILE 91 18.004 1.119 1.119 1684 1HG1 ILE 91 2HG1 ILE 91 16.409 1.000 1.000 1685 2HG1 ILE 91 1HG1 ILE 91 16.805 2.705 2.705 1686 1HG2 ILE 91 1HG2 ILE 91 19.198 1.301 1.301 1687 2HG2 ILE 91 3HG2 ILE 91 18.393 -0.132 -0.132 1688 3HG2 ILE 91 2HG2 ILE 91 19.866 0.468 0.468 1689 1HD1 ILE 91 3HD1 ILE 91 15.949 1.804 1.804 1690 2HD1 ILE 91 2HD1 ILE 91 14.727 1.865 1.865 1691 3HD1 ILE 91 1HD1 ILE 91 15.633 3.318 3.318 1692 H GLU 92 HN GLU 92 21.077 4.077 4.077 1693 HA GLU 92 HA GLU 92 22.442 2.699 2.699 1694 1HB GLU 92 2HB GLU 92 23.742 4.895 4.895 1695 2HB GLU 92 1HB GLU 92 23.900 4.483 4.483 1696 1HG GLU 92 2HG GLU 92 21.704 5.416 5.416 1697 2HG GLU 92 1HG GLU 92 21.494 5.784 5.784 1698 H TRP 93 HN TRP 93 24.146 1.348 1.348 1699 HA TRP 93 HA TRP 93 25.334 1.183 1.183 1700 1HB TRP 93 2HB TRP 93 24.916 -1.143 -1.143 1701 2HB TRP 93 1HB TRP 93 23.368 -0.401 -0.401 1702 HD1 TRP 93 1HD TRP 93 25.567 -3.204 -3.204 1703 HE1 TRP 93 1HE TRP 93 24.694 -4.305 -4.305 1704 HE3 TRP 93 3HE TRP 93 22.179 0.355 0.355 1705 HZ2 TRP 93 2HZ TRP 93 22.820 -3.741 -3.741 1706 HZ3 TRP 93 3HZ TRP 93 20.888 -0.003 -0.003 1707 HH2 TRP 93 2HH TRP 93 21.204 -2.008 -2.008 1708 H THR 94 HN THR 94 27.413 0.391 0.391 1709 HA THR 94 HA THR 94 28.554 -0.614 -0.614 1710 HB THR 94 HB THR 94 29.026 1.713 1.713 1711 HG1 THR 94 1HG THR 94 31.320 0.507 0.507 1712 1HG2 THR 94 1HG2 THR 94 29.036 1.730 1.730 1713 2HG2 THR 94 3HG2 THR 94 30.624 2.277 2.277 1714 3HG2 THR 94 2HG2 THR 94 29.168 3.096 3.096 1715 H ASN 95 HN ASN 95 30.297 -1.979 -1.979 1716 HA ASN 95 HA ASN 95 30.514 -3.380 -3.380 1717 1HB ASN 95 2HB ASN 95 32.193 -3.305 -3.305 1718 2HB ASN 95 1HB ASN 95 32.672 -4.285 -4.285 1719 1HD2 ASN 95 2HD2 ASN 95 30.610 -6.897 -6.897 1720 2HD2 ASN 95 1HD2 ASN 95 31.997 -6.295 -6.295 1721 H THR 96 HN THR 96 31.530 -2.893 -2.893 1722 HA THR 96 HA THR 96 32.932 -0.560 -0.560 1723 HB THR 96 HB THR 96 33.863 -1.851 -1.851 1724 HG1 THR 96 1HG THR 96 33.446 -3.917 -3.917 1725 1HG2 THR 96 1HG2 THR 96 31.473 -0.648 -0.648 1726 2HG2 THR 96 3HG2 THR 96 30.966 -2.281 -2.281 1727 3HG2 THR 96 2HG2 THR 96 32.022 -1.368 -1.368 1728 HA PRO 97 HA PRO 97 36.942 -1.148 -1.148 1729 1HB PRO 97 2HB PRO 97 38.422 0.402 0.402 1730 2HB PRO 97 1HB PRO 97 37.386 1.060 1.060 1731 1HG PRO 97 2HG PRO 97 36.837 0.762 0.762 1732 2HG PRO 97 1HG PRO 97 36.473 2.126 2.126 1733 1HD PRO 97 2HD PRO 97 34.591 0.340 0.340 1734 2HD PRO 97 1HD PRO 97 34.595 1.099 1.099 1735 H ASP 98 HN ASP 98 39.036 -2.045 -2.045 1736 HA ASP 98 HA ASP 98 39.063 -4.343 -4.343 1737 1HB ASP 98 2HB ASP 98 41.419 -2.600 -2.600 1738 2HB ASP 98 1HB ASP 98 41.538 -4.265 -4.265 1739 H GLY 99 HN GLY 99 38.958 -4.699 -4.699 1740 1HA GLY 99 2HA GLY 99 39.193 -4.442 -4.442 1741 2HA GLY 99 1HA GLY 99 40.674 -3.571 -3.571 1742 H ALA 100 HN ALA 100 37.337 -2.718 -2.718 1743 HA ALA 100 HA ALA 100 37.700 -0.029 -0.029 1744 1HB ALA 100 3HB ALA 100 36.153 -0.878 -0.878 1745 2HB ALA 100 2HB ALA 100 35.036 -1.300 -1.300 1746 3HB ALA 100 1HB ALA 100 35.528 0.378 0.378 1747 H ALA 101 HN ALA 101 37.009 0.991 0.991 1748 HA ALA 101 HA ALA 101 36.878 -0.353 -0.353 1749 1HB ALA 101 1HB ALA 101 37.331 2.033 2.033 1750 2HB ALA 101 3HB ALA 101 35.665 2.324 2.324 1751 3HB ALA 101 2HB ALA 101 36.004 1.718 1.718 1752 H LYS 102 HN LYS 102 35.077 -0.401 -0.401 1753 HA LYS 102 HA LYS 102 32.738 -1.572 -1.572 1754 1HB LYS 102 2HB LYS 102 32.133 -2.140 -2.140 1755 2HB LYS 102 1HB LYS 102 33.564 -2.917 -2.917 1756 1HG LYS 102 2HG LYS 102 35.012 -1.606 -1.606 1757 2HG LYS 102 1HG LYS 102 33.779 -0.384 -0.384 1758 1HD LYS 102 2HD LYS 102 33.113 -3.073 -3.073 1759 2HD LYS 102 1HD LYS 102 34.515 -2.336 -2.336 1760 1HE LYS 102 2HE LYS 102 32.868 -1.511 -1.511 1761 2HE LYS 102 1HE LYS 102 32.899 -0.246 -0.246 1762 1HZ LYS 102 2HZ LYS 102 31.161 -2.071 -2.071 1763 2HZ LYS 102 1HZ LYS 102 30.820 -2.114 -2.114 1764 3HZ LYS 102 3HZ LYS 102 30.732 -0.650 -0.650 1765 H GLN 103 HN GLN 103 32.194 0.618 0.618 1766 HA GLN 103 HA GLN 103 29.977 1.639 1.639 1767 1HB GLN 103 2HB GLN 103 30.936 3.963 3.963 1768 2HB GLN 103 1HB GLN 103 31.385 2.693 2.693 1769 1HG GLN 103 2HG GLN 103 33.513 3.155 3.155 1770 2HG GLN 103 1HG GLN 103 33.325 2.693 2.693 1771 1HE2 GLN 103 2HE2 GLN 103 33.035 6.656 6.656 1772 2HE2 GLN 103 1HE2 GLN 103 32.527 5.432 5.432 1773 H PHE 104 HN PHE 104 28.691 2.619 2.619 1774 HA PHE 104 HA PHE 104 29.241 2.714 2.714 1775 1HB PHE 104 2HB PHE 104 26.970 2.841 2.841 1776 2HB PHE 104 1HB PHE 104 27.300 4.477 4.477 1777 HD1 PHE 104 1HD PHE 104 26.754 2.370 2.370 1778 HD2 PHE 104 2HD PHE 104 27.233 6.335 6.335 1779 HE1 PHE 104 1HE PHE 104 25.974 3.260 3.260 1780 HE2 PHE 104 2HE PHE 104 26.454 7.232 7.232 1781 HZ PHE 104 HZ PHE 104 25.824 5.694 5.694 1782 H ARG 105 HN ARG 105 29.660 4.418 4.418 1783 HA ARG 105 HA ARG 105 30.815 6.857 6.857 1784 1HB ARG 105 2HB ARG 105 32.309 4.745 4.745 1785 2HB ARG 105 1HB ARG 105 32.344 6.091 6.091 1786 1HG ARG 105 2HG ARG 105 33.104 7.556 7.556 1787 2HG ARG 105 1HG ARG 105 33.203 6.125 6.125 1788 1HD ARG 105 2HD ARG 105 34.936 5.192 5.192 1789 2HD ARG 105 1HD ARG 105 34.638 6.283 6.283 1790 HE ARG 105 HE ARG 105 35.338 7.857 7.857 1791 1HH1 ARG 105 1HH2 ARG 105 36.786 5.380 5.380 1792 2HH1 ARG 105 2HH2 ARG 105 38.399 5.976 5.976 1793 1HH2 ARG 105 1HH1 ARG 105 37.459 8.651 8.651 1794 2HH2 ARG 105 2HH1 ARG 105 38.781 7.836 7.836 1795 H ARG 106 HN ARG 106 30.853 8.664 8.664 1796 HA ARG 106 HA ARG 106 28.753 8.543 8.543 1797 1HB ARG 106 2HB ARG 106 28.702 10.322 10.322 1798 2HB ARG 106 1HB ARG 106 30.238 10.930 10.930 1799 1HG ARG 106 2HG ARG 106 29.065 11.209 11.209 1800 2HG ARG 106 1HG ARG 106 27.561 10.956 10.956 1801 1HD ARG 106 2HD ARG 106 29.582 13.156 13.156 1802 2HD ARG 106 1HD ARG 106 27.896 13.301 13.301 1803 HE ARG 106 HE ARG 106 28.905 13.097 13.097 1804 1HH1 ARG 106 1HH2 ARG 106 26.160 12.514 12.514 1805 2HH1 ARG 106 2HH2 ARG 106 25.009 12.592 12.592 1806 1HH2 ARG 106 1HH1 ARG 106 27.399 13.204 13.204 1807 2HH2 ARG 106 2HH1 ARG 106 25.713 12.985 12.985 1808 H GLU 107 HN GLU 107 32.188 8.780 8.780 1809 HA GLU 107 HA GLU 107 32.712 10.000 10.000 1810 1HB GLU 107 2HB GLU 107 34.234 8.783 8.783 1811 2HB GLU 107 1HB GLU 107 34.869 8.309 8.309 1812 1HG GLU 107 2HG GLU 107 35.720 10.326 10.326 1813 2HG GLU 107 1HG GLU 107 34.259 11.143 11.143 1814 H TRP 108 HN TRP 108 31.662 6.848 6.848 1815 HA TRP 108 HA TRP 108 32.766 5.329 5.329 1816 1HB TRP 108 2HB TRP 108 30.222 5.068 5.068 1817 2HB TRP 108 1HB TRP 108 30.651 3.907 3.907 1818 HD1 TRP 108 1HD TRP 108 33.899 4.300 4.300 1819 HE1 TRP 108 1HE TRP 108 34.615 2.836 2.836 1820 HE3 TRP 108 3HE TRP 108 29.280 3.150 3.150 1821 HZ2 TRP 108 2HZ TRP 108 33.386 1.386 1.386 1822 HZ3 TRP 108 3HZ TRP 108 29.137 1.720 1.720 1823 HH2 TRP 108 2HH TRP 108 31.149 0.857 0.857 1824 H PHE 109 HN PHE 109 30.455 7.844 7.844 1825 HA PHE 109 HA PHE 109 29.805 7.089 7.089 1826 1HB PHE 109 2HB PHE 109 27.942 8.620 8.620 1827 2HB PHE 109 1HB PHE 109 27.583 7.925 7.925 1828 HD1 PHE 109 1HD PHE 109 28.535 7.001 7.001 1829 HD2 PHE 109 2HD PHE 109 26.673 5.797 5.797 1830 HE1 PHE 109 1HE PHE 109 27.741 4.946 4.946 1831 HE2 PHE 109 2HE PHE 109 25.874 3.740 3.740 1832 HZ PHE 109 HZ PHE 109 26.408 3.312 3.312 1833 H GLN 110 HN GLN 110 32.006 8.652 8.652 1834 HA GLN 110 HA GLN 110 31.166 11.345 11.345 1835 1HB GLN 110 2HB GLN 110 33.130 12.229 12.229 1836 2HB GLN 110 1HB GLN 110 32.222 11.251 11.251 1837 1HG GLN 110 2HG GLN 110 34.042 10.078 10.078 1838 2HG GLN 110 1HG GLN 110 34.084 9.544 9.544 1839 1HE2 GLN 110 1HE2 GLN 110 34.844 12.459 12.459 1840 2HE2 GLN 110 2HE2 GLN 110 36.351 12.778 12.778 1841 H GLY 111 HN GLY 111 31.721 8.998 8.998 1842 1HA GLY 111 2HA GLY 111 32.997 10.157 10.157 1843 2HA GLY 111 1HA GLY 111 34.288 9.393 9.393 1844 H ASP 112 HN ASP 112 34.213 8.404 8.404 1845 HA ASP 112 HA ASP 112 32.291 6.284 6.284 1846 1HB ASP 112 2HB ASP 112 34.127 7.674 7.674 1847 2HB ASP 112 1HB ASP 112 34.559 5.967 5.967 1848 H GLY 113 HN GLY 113 32.848 4.034 4.034 1849 1HA GLY 113 2HA GLY 113 34.737 2.410 2.410 1850 2HA GLY 113 1HA GLY 113 35.076 3.295 3.295 1851 H MET 114 HN MET 114 32.710 1.253 1.253 1852 HA MET 114 HA MET 114 31.103 -0.157 -0.157 1853 1HB MET 114 2HB MET 114 32.631 -0.313 -0.313 1854 2HB MET 114 1HB MET 114 31.704 -1.571 -1.571 1855 1HG MET 114 2HG MET 114 34.113 -0.444 -0.444 1856 2HG MET 114 1HG MET 114 34.310 -1.606 -1.606 1857 1HE MET 114 1HE MET 114 35.658 -2.167 -2.167 1858 2HE MET 114 3HE MET 114 35.311 -3.895 -3.895 1859 3HE MET 114 2HE MET 114 34.985 -2.884 -2.884 1860 H VAL 115 HN VAL 115 29.205 0.811 0.811 1861 HA VAL 115 HA VAL 115 28.184 1.339 1.339 1862 HB VAL 115 HB VAL 115 29.677 3.263 3.263 1863 1HG1 VAL 115 2HG1 VAL 115 29.524 3.458 3.458 1864 2HG1 VAL 115 1HG1 VAL 115 28.251 4.615 4.615 1865 3HG1 VAL 115 3HG1 VAL 115 29.887 4.862 4.862 1866 1HG2 VAL 115 1HG2 VAL 115 26.923 3.299 3.299 1867 2HG2 VAL 115 3HG2 VAL 115 28.116 4.408 4.408 1868 3HG2 VAL 115 2HG2 VAL 115 27.280 4.817 4.817 1869 H ARG 116 HN ARG 116 26.138 0.816 0.816 1870 HA ARG 116 HA ARG 116 24.894 1.606 1.606 1871 1HB ARG 116 2HB ARG 116 24.769 -0.758 -0.758 1872 2HB ARG 116 1HB ARG 116 23.156 -0.095 -0.095 1873 1HG ARG 116 2HG ARG 116 23.247 -0.355 -0.355 1874 2HG ARG 116 1HG ARG 116 25.005 -0.511 -0.511 1875 1HD ARG 116 2HD ARG 116 24.777 -2.718 -2.718 1876 2HD ARG 116 1HD ARG 116 24.018 -2.568 -2.568 1877 HE ARG 116 HE ARG 116 21.978 -2.958 -2.958 1878 1HH1 ARG 116 1HH2 ARG 116 24.323 -2.252 -2.252 1879 2HH1 ARG 116 2HH2 ARG 116 23.267 -2.680 -2.680 1880 1HH2 ARG 116 1HH1 ARG 116 20.580 -3.526 -3.526 1881 2HH2 ARG 116 2HH1 ARG 116 21.139 -3.405 -3.405 1882 H ARG 117 HN ARG 117 22.747 2.455 2.455 1883 HA ARG 117 HA ARG 117 21.783 3.561 3.561 1884 1HB ARG 117 2HB ARG 117 21.296 5.718 5.718 1885 2HB ARG 117 1HB ARG 117 22.915 5.451 5.451 1886 1HG ARG 117 2HG ARG 117 23.621 4.606 4.606 1887 2HG ARG 117 1HG ARG 117 22.003 4.922 4.922 1888 1HD ARG 117 2HD ARG 117 23.540 6.722 6.722 1889 2HD ARG 117 1HD ARG 117 22.269 7.299 7.299 1890 HE ARG 117 HE ARG 117 23.862 7.747 7.747 1891 1HH1 ARG 117 1HH2 ARG 117 25.236 5.712 5.712 1892 2HH1 ARG 117 2HH2 ARG 117 26.854 5.852 5.852 1893 1HH2 ARG 117 1HH1 ARG 117 25.989 7.938 7.938 1894 2HH2 ARG 117 2HH1 ARG 117 27.282 7.118 7.118 1895 H LYS 118 HN LYS 118 19.970 2.304 2.304 1896 HA LYS 118 HA LYS 118 18.269 2.098 2.098 1897 1HB LYS 118 2HB LYS 118 18.765 0.447 0.447 1898 2HB LYS 118 1HB LYS 118 17.169 1.095 1.095 1899 1HG LYS 118 2HG LYS 118 16.788 0.440 0.440 1900 2HG LYS 118 1HG LYS 118 18.051 -0.727 -0.727 1901 1HD LYS 118 2HD LYS 118 16.449 -1.004 -1.004 1902 2HD LYS 118 1HD LYS 118 15.255 -0.560 -0.560 1903 1HE LYS 118 2HE LYS 118 15.249 -2.720 -2.720 1904 2HE LYS 118 1HE LYS 118 16.817 -2.406 -2.406 1905 1HZ LYS 118 1HZ LYS 118 16.930 -2.929 -2.929 1906 2HZ LYS 118 3HZ LYS 118 16.368 -4.235 -4.235 1907 3HZ LYS 118 2HZ LYS 118 17.878 -3.552 -3.552 1908 H ASN 119 HN ASN 119 15.945 2.534 2.534 1909 HA ASN 119 HA ASN 119 15.250 4.667 4.667 1910 1HB ASN 119 2HB ASN 119 15.113 4.869 4.869 1911 2HB ASN 119 1HB ASN 119 14.167 5.909 5.909 1912 1HD2 ASN 119 2HD2 ASN 119 18.041 6.663 6.663 1913 2HD2 ASN 119 1HD2 ASN 119 17.175 5.367 5.367 1914 H LEU 120 HN LEU 120 13.308 4.349 4.349 1915 HA LEU 120 HA LEU 120 11.462 2.500 2.500 1916 1HB LEU 120 2HB LEU 120 11.209 3.158 3.158 1917 2HB LEU 120 1HB LEU 120 10.758 1.695 1.695 1918 HG LEU 120 HG LEU 120 13.499 2.540 2.540 1919 1HD1 LEU 120 1HD1 LEU 120 11.612 0.302 0.302 1920 2HD1 LEU 120 3HD1 LEU 120 13.344 0.128 0.128 1921 3HD1 LEU 120 2HD1 LEU 120 12.444 1.401 1.401 1922 1HD2 LEU 120 3HD2 LEU 120 12.763 0.926 0.926 1923 2HD2 LEU 120 2HD2 LEU 120 14.326 1.598 1.598 1924 3HD2 LEU 120 1HD2 LEU 120 13.791 0.063 0.063 1925 HA PRO 121 HA PRO 121 9.223 6.435 6.435 1926 1HB PRO 121 2HB PRO 121 7.390 4.505 4.505 1927 2HB PRO 121 1HB PRO 121 8.017 6.049 6.049 1928 1HG PRO 121 2HG PRO 121 8.970 3.750 3.750 1929 2HG PRO 121 1HG PRO 121 10.046 5.128 5.128 1930 1HD PRO 121 2HD PRO 121 9.652 2.644 2.644 1931 2HD PRO 121 1HD PRO 121 11.143 3.552 3.552 1932 H ILE 122 HN ILE 122 7.502 7.308 7.308 1933 HA ILE 122 HA ILE 122 5.996 5.496 5.496 1934 HB ILE 122 HB ILE 122 6.303 8.461 8.461 1935 1HG1 ILE 122 2HG1 ILE 122 8.534 7.293 7.293 1936 2HG1 ILE 122 1HG1 ILE 122 8.176 8.071 8.071 1937 1HG2 ILE 122 1HG2 ILE 122 4.501 7.054 7.054 1938 2HG2 ILE 122 3HG2 ILE 122 5.825 6.340 6.340 1939 3HG2 ILE 122 2HG2 ILE 122 5.515 8.073 8.073 1940 1HD1 ILE 122 1HD1 ILE 122 7.225 5.449 5.449 1941 2HD1 ILE 122 3HD1 ILE 122 8.804 5.338 5.338 1942 3HD1 ILE 122 2HD1 ILE 122 8.639 6.158 6.158 1943 H GLU 123 HN GLU 123 4.268 5.019 5.019 1944 HA GLU 123 HA GLU 123 2.792 7.117 7.117 1945 1HB GLU 123 2HB GLU 123 2.140 4.181 4.181 1946 2HB GLU 123 1HB GLU 123 1.328 5.312 5.312 1947 1HG GLU 123 2HG GLU 123 3.330 5.591 5.591 1948 2HG GLU 123 1HG GLU 123 4.244 4.594 4.594 1949 H TYR 124 HN TYR 124 0.805 7.923 7.923 1950 HA TYR 124 HA TYR 124 -0.081 7.303 7.303 1951 1HB TYR 124 2HB TYR 124 -0.476 9.736 9.736 1952 2HB TYR 124 1HB TYR 124 -1.332 9.498 9.498 1953 HD1 TYR 124 1HD TYR 124 2.151 9.491 9.491 1954 HD2 TYR 124 2HD TYR 124 -0.402 10.370 10.370 1955 HE1 TYR 124 1HE TYR 124 4.058 10.455 10.455 1956 HE2 TYR 124 2HE TYR 124 1.497 11.338 11.338 1957 HH TYR 124 HH TYR 124 3.681 12.302 12.302 1958 H ASN 125 HN ASN 125 -1.566 5.730 5.730 1959 HA ASN 125 HA ASN 125 -3.456 5.483 5.483 1960 1HB ASN 125 2HB ASN 125 -2.435 3.787 3.787 1961 2HB ASN 125 1HB ASN 125 -4.166 3.913 3.913 1962 1HD2 ASN 125 2HD2 ASN 125 -3.973 1.110 1.110 1963 2HD2 ASN 125 1HD2 ASN 125 -3.730 1.539 1.539 1964 H LEU 126 HN LEU 126 -4.497 7.538 7.538 1965 HA LEU 126 HA LEU 126 -5.951 8.283 8.283 1966 1HB LEU 126 2HB LEU 126 -5.832 9.309 9.309 1967 2HB LEU 126 1HB LEU 126 -7.050 9.904 9.904 1968 HG LEU 126 HG LEU 126 -4.091 10.023 10.023 1969 1HD1 LEU 126 2HD1 LEU 126 -5.903 12.089 12.089 1970 2HD1 LEU 126 1HD1 LEU 126 -4.304 12.433 12.433 1971 3HD1 LEU 126 3HD1 LEU 126 -4.472 11.351 11.351 1972 1HD2 LEU 126 3HD2 LEU 126 -6.564 10.952 10.952 1973 2HD2 LEU 126 2HD2 LEU 126 -5.076 10.292 10.292 1974 3HD2 LEU 126 1HD2 LEU 126 -5.120 11.960 11.960 Start of MODEL 11 1 1H ALA 1 3HN ALA 1 -41.185 12.872 12.872 2 2H ALA 1 2HN ALA 1 -41.588 12.694 12.694 3 3H ALA 1 1HN ALA 1 -42.348 11.707 11.707 4 HA ALA 1 HA ALA 1 -40.487 10.483 10.483 5 1HB ALA 1 3HB ALA 1 -41.612 10.395 10.395 6 2HB ALA 1 2HB ALA 1 -40.029 10.967 10.967 7 3HB ALA 1 1HB ALA 1 -40.169 9.448 9.448 8 H GLN 2 HN GLN 2 -39.285 12.281 12.281 9 HA GLN 2 HA GLN 2 -36.848 12.978 12.978 10 1HB GLN 2 2HB GLN 2 -38.139 14.477 14.477 11 2HB GLN 2 1HB GLN 2 -36.605 14.903 14.903 12 1HG GLN 2 2HG GLN 2 -38.035 14.945 14.945 13 2HG GLN 2 1HG GLN 2 -39.370 15.169 15.169 14 1HE2 GLN 2 2HE2 GLN 2 -38.256 18.509 18.509 15 2HE2 GLN 2 1HE2 GLN 2 -38.997 17.139 17.139 16 H SER 3 HN SER 3 -36.024 10.880 10.880 17 HA SER 3 HA SER 3 -35.325 10.657 10.657 18 1HB SER 3 2HB SER 3 -36.027 8.738 8.738 19 2HB SER 3 1HB SER 3 -34.482 8.330 8.330 20 HG SER 3 HG SER 3 -36.798 7.785 7.785 21 H VAL 4 HN VAL 4 -33.109 9.516 9.516 22 HA VAL 4 HA VAL 4 -31.124 10.558 10.558 23 HB VAL 4 HB VAL 4 -29.719 11.152 11.152 24 1HG1 VAL 4 2HG1 VAL 4 -31.980 12.718 12.718 25 2HG1 VAL 4 1HG1 VAL 4 -31.020 13.403 13.403 26 3HG1 VAL 4 3HG1 VAL 4 -30.242 12.937 12.937 27 1HG2 VAL 4 3HG2 VAL 4 -31.425 10.095 10.095 28 2HG2 VAL 4 2HG2 VAL 4 -30.866 11.706 11.706 29 3HG2 VAL 4 1HG2 VAL 4 -32.443 11.500 11.500 30 HA PRO 5 HA PRO 5 -29.560 6.397 6.397 31 1HB PRO 5 2HB PRO 5 -27.004 7.663 7.663 32 2HB PRO 5 1HB PRO 5 -27.860 6.284 6.284 33 1HG PRO 5 2HG PRO 5 -27.872 8.653 8.653 34 2HG PRO 5 1HG PRO 5 -29.320 7.629 7.629 35 1HD PRO 5 2HD PRO 5 -28.697 10.066 10.066 36 2HD PRO 5 1HD PRO 5 -30.238 9.550 9.550 37 HA PRO 6 HA PRO 6 -27.347 5.910 5.910 38 1HB PRO 6 2HB PRO 6 -25.098 4.610 4.610 39 2HB PRO 6 1HB PRO 6 -26.044 4.018 4.018 40 1HG PRO 6 2HG PRO 6 -26.439 3.047 3.047 41 2HG PRO 6 1HG PRO 6 -27.800 3.323 3.323 42 1HD PRO 6 2HD PRO 6 -26.913 4.928 4.928 43 2HD PRO 6 1HD PRO 6 -28.556 4.588 4.588 44 H GLY 7 HN GLY 7 -26.440 7.613 7.613 45 1HA GLY 7 2HA GLY 7 -24.710 9.440 9.440 46 2HA GLY 7 1HA GLY 7 -25.007 9.347 9.347 47 H ASP 8 HN ASP 8 -22.570 9.509 9.509 48 HA ASP 8 HA ASP 8 -20.911 7.344 7.344 49 1HB ASP 8 2HB ASP 8 -20.443 10.276 10.276 50 2HB ASP 8 1HB ASP 8 -19.070 9.258 9.258 51 H ILE 9 HN ILE 9 -20.406 6.212 6.212 52 HA ILE 9 HA ILE 9 -20.394 7.441 7.441 53 HB ILE 9 HB ILE 9 -19.905 5.150 5.150 54 1HG1 ILE 9 2HG1 ILE 9 -20.542 3.804 3.804 55 2HG1 ILE 9 1HG1 ILE 9 -19.042 4.715 4.715 56 1HG2 ILE 9 3HG2 ILE 9 -22.258 5.589 5.589 57 2HG2 ILE 9 2HG2 ILE 9 -22.097 4.154 4.154 58 3HG2 ILE 9 1HG2 ILE 9 -22.178 5.752 5.752 59 1HD1 ILE 9 3HD1 ILE 9 -18.976 3.339 3.339 60 2HD1 ILE 9 2HD1 ILE 9 -19.515 2.196 2.196 61 3HD1 ILE 9 1HD1 ILE 9 -17.993 3.064 3.064 62 H ASN 10 HN ASN 10 -18.648 8.220 8.220 63 HA ASN 10 HA ASN 10 -16.097 8.194 8.194 64 1HB ASN 10 2HB ASN 10 -17.275 9.302 9.302 65 2HB ASN 10 1HB ASN 10 -15.544 8.979 8.979 66 1HD2 ASN 10 2HD2 ASN 10 -16.460 12.412 12.412 67 2HD2 ASN 10 1HD2 ASN 10 -17.133 11.495 11.495 68 H THR 11 HN THR 11 -14.302 6.995 6.995 69 HA THR 11 HA THR 11 -14.401 4.972 4.972 70 HB THR 11 HB THR 11 -13.179 3.520 3.520 71 HG1 THR 11 1HG THR 11 -14.307 3.861 3.861 72 1HG2 THR 11 3HG2 THR 11 -15.382 3.096 3.096 73 2HG2 THR 11 2HG2 THR 11 -16.148 3.620 3.620 74 3HG2 THR 11 1HG2 THR 11 -15.064 2.229 2.229 75 H GLN 12 HN GLN 12 -12.345 4.186 4.186 76 HA GLN 12 HA GLN 12 -9.990 5.583 5.583 77 1HB GLN 12 2HB GLN 12 -11.275 6.088 6.088 78 2HB GLN 12 1HB GLN 12 -9.565 5.705 5.705 79 1HG GLN 12 2HG GLN 12 -9.056 7.773 7.773 80 2HG GLN 12 1HG GLN 12 -9.866 7.546 7.546 81 1HE2 GLN 12 2HE2 GLN 12 -11.477 9.856 9.856 82 2HE2 GLN 12 1HE2 GLN 12 -9.960 9.048 9.048 83 HA PRO 13 HA PRO 13 -8.257 4.830 4.830 84 1HB PRO 13 2HB PRO 13 -8.090 2.758 2.758 85 2HB PRO 13 1HB PRO 13 -6.777 3.260 3.260 86 1HG PRO 13 2HG PRO 13 -8.735 1.023 1.023 87 2HG PRO 13 1HG PRO 13 -6.996 1.049 1.049 88 1HD PRO 13 2HD PRO 13 -8.811 1.252 1.252 89 2HD PRO 13 1HD PRO 13 -7.287 2.163 2.163 90 H SER 14 HN SER 14 -9.219 5.451 5.451 91 HA SER 14 HA SER 14 -12.033 4.621 4.621 92 1HB SER 14 2HB SER 14 -11.562 7.015 7.015 93 2HB SER 14 1HB SER 14 -12.523 6.801 6.801 94 HG SER 14 HG SER 14 -10.591 8.310 8.310 95 H GLN 15 HN GLN 15 -9.045 4.385 4.385 96 HA GLN 15 HA GLN 15 -10.391 3.866 3.866 97 1HB GLN 15 2HB GLN 15 -7.679 5.006 5.006 98 2HB GLN 15 1HB GLN 15 -8.008 4.235 4.235 99 1HG GLN 15 2HG GLN 15 -9.835 6.376 6.376 100 2HG GLN 15 1HG GLN 15 -8.270 6.814 6.814 101 1HE2 GLN 15 2HE2 GLN 15 -9.088 5.724 5.724 102 2HE2 GLN 15 1HE2 GLN 15 -7.789 5.836 5.836 103 H LYS 16 HN LYS 16 -7.389 2.989 2.989 104 HA LYS 16 HA LYS 16 -7.986 0.167 0.167 105 1HB LYS 16 2HB LYS 16 -5.427 1.509 1.509 106 2HB LYS 16 1HB LYS 16 -5.669 -0.231 -0.231 107 1HG LYS 16 2HG LYS 16 -6.780 -0.253 -0.253 108 2HG LYS 16 1HG LYS 16 -7.729 1.173 1.173 109 1HD LYS 16 2HD LYS 16 -5.690 2.554 2.554 110 2HD LYS 16 1HD LYS 16 -4.939 1.089 1.089 111 1HE LYS 16 2HE LYS 16 -7.613 2.009 2.009 112 2HE LYS 16 1HE LYS 16 -6.122 2.693 2.693 113 1HZ LYS 16 3HZ LYS 16 -5.501 0.192 0.192 114 2HZ LYS 16 2HZ LYS 16 -7.177 -0.034 -0.034 115 3HZ LYS 16 1HZ LYS 16 -6.476 0.961 0.961 116 H ILE 17 HN ILE 17 -6.130 -1.197 -1.197 117 HA ILE 17 HA ILE 17 -4.970 0.048 0.048 118 HB ILE 17 HB ILE 17 -7.184 -0.669 -0.669 119 1HG1 ILE 17 2HG1 ILE 17 -5.082 -2.551 -2.551 120 2HG1 ILE 17 1HG1 ILE 17 -5.109 -0.829 -0.829 121 1HG2 ILE 17 3HG2 ILE 17 -7.387 -2.515 -2.515 122 2HG2 ILE 17 2HG2 ILE 17 -6.366 -3.490 -3.490 123 3HG2 ILE 17 1HG2 ILE 17 -7.932 -2.914 -2.914 124 1HD1 ILE 17 1HD1 ILE 17 -7.686 -1.958 -1.958 125 2HD1 ILE 17 3HD1 ILE 17 -6.444 -2.899 -2.899 126 3HD1 ILE 17 2HD1 ILE 17 -6.574 -1.164 -1.164 127 H VAL 18 HN VAL 18 -2.951 -0.665 -0.665 128 HA VAL 18 HA VAL 18 -2.279 -3.292 -3.292 129 HB VAL 18 HB VAL 18 -0.425 -0.944 -0.944 130 1HG1 VAL 18 1HG1 VAL 18 0.299 -3.520 -3.520 131 2HG1 VAL 18 3HG1 VAL 18 0.239 -3.160 -3.160 132 3HG1 VAL 18 2HG1 VAL 18 1.280 -2.213 -2.213 133 1HG2 VAL 18 2HG2 VAL 18 -1.986 -1.874 -1.874 134 2HG2 VAL 18 1HG2 VAL 18 -1.824 -0.245 -0.245 135 3HG2 VAL 18 3HG2 VAL 18 -0.472 -0.991 -0.991 136 H PHE 19 HN PHE 19 -1.851 -4.818 -4.818 137 HA PHE 19 HA PHE 19 -1.322 -4.198 -4.198 138 1HB PHE 19 2HB PHE 19 -1.538 -6.764 -6.764 139 2HB PHE 19 1HB PHE 19 -1.033 -6.755 -6.755 140 HD1 PHE 19 1HD PHE 19 -3.787 -5.772 -5.772 141 HD2 PHE 19 2HD PHE 19 -2.610 -6.647 -6.647 142 HE1 PHE 19 1HE PHE 19 -6.146 -5.747 -5.747 143 HE2 PHE 19 2HE PHE 19 -4.968 -6.626 -6.626 144 HZ PHE 19 HZ PHE 19 -6.740 -6.174 -6.174 145 H ASN 20 HN ASN 20 0.634 -3.191 -3.191 146 HA ASN 20 HA ASN 20 2.991 -4.030 -4.030 147 1HB ASN 20 2HB ASN 20 2.620 -2.259 -2.259 148 2HB ASN 20 1HB ASN 20 4.146 -2.476 -2.476 149 1HD2 ASN 20 2HD2 ASN 20 1.289 0.000 0.000 150 2HD2 ASN 20 1HD2 ASN 20 1.058 -0.970 -0.970 151 H ALA 21 HN ALA 21 4.502 -5.460 -5.460 152 HA ALA 21 HA ALA 21 4.089 -7.462 -7.462 153 1HB ALA 21 2HB ALA 21 5.861 -6.986 -6.986 154 2HB ALA 21 1HB ALA 21 6.890 -7.095 -7.095 155 3HB ALA 21 3HB ALA 21 5.802 -8.423 -8.423 156 HA PRO 22 HA PRO 22 5.992 -8.789 -8.789 157 1HB PRO 22 2HB PRO 22 6.790 -9.925 -9.925 158 2HB PRO 22 1HB PRO 22 7.887 -8.887 -8.887 159 1HG PRO 22 2HG PRO 22 6.349 -8.290 -8.290 160 2HG PRO 22 1HG PRO 22 7.985 -7.785 -7.785 161 1HD PRO 22 2HD PRO 22 5.656 -6.248 -6.248 162 2HD PRO 22 1HD PRO 22 7.210 -5.917 -5.917 163 H TYR 23 HN TYR 23 4.844 -10.744 -10.744 164 HA TYR 23 HA TYR 23 2.298 -10.281 -10.281 165 1HB TYR 23 2HB TYR 23 3.182 -12.308 -12.308 166 2HB TYR 23 1HB TYR 23 1.637 -12.421 -12.421 167 HD1 TYR 23 2HD TYR 23 0.503 -9.867 -9.867 168 HD2 TYR 23 1HD TYR 23 2.941 -11.529 -11.529 169 HE1 TYR 23 2HE TYR 23 -0.498 -8.323 -8.323 170 HE2 TYR 23 1HE TYR 23 1.947 -9.985 -9.985 171 HH TYR 23 HH TYR 23 0.720 -8.046 -8.046 172 H ASP 24 HN ASP 24 4.340 -10.610 -10.610 173 HA ASP 24 HA ASP 24 3.749 -13.252 -13.252 174 1HB ASP 24 2HB ASP 24 6.097 -12.956 -12.956 175 2HB ASP 24 1HB ASP 24 6.451 -12.001 -12.001 176 H ASP 25 HN ASP 25 3.185 -10.133 -10.133 177 HA ASP 25 HA ASP 25 3.500 -10.270 -10.270 178 1HB ASP 25 2HB ASP 25 4.746 -8.449 -8.449 179 2HB ASP 25 1HB ASP 25 3.309 -7.569 -7.569 180 H LYS 26 HN LYS 26 1.289 -10.200 -10.200 181 HA LYS 26 HA LYS 26 -0.968 -9.932 -9.932 182 1HB LYS 26 2HB LYS 26 -0.371 -10.609 -10.609 183 2HB LYS 26 1HB LYS 26 -1.686 -9.443 -9.443 184 1HG LYS 26 2HG LYS 26 -3.085 -10.856 -10.856 185 2HG LYS 26 1HG LYS 26 -1.746 -11.859 -11.859 186 1HD LYS 26 2HD LYS 26 -2.982 -13.058 -13.058 187 2HD LYS 26 1HD LYS 26 -1.397 -12.622 -12.622 188 1HE LYS 26 2HE LYS 26 -3.465 -10.614 -10.614 189 2HE LYS 26 1HE LYS 26 -3.797 -12.172 -12.172 190 1HZ LYS 26 2HZ LYS 26 -1.177 -10.830 -10.830 191 2HZ LYS 26 1HZ LYS 26 -2.463 -10.505 -10.505 192 3HZ LYS 26 3HZ LYS 26 -1.828 -12.071 -12.071 193 H HIS 27 HN HIS 27 -2.237 -8.222 -8.222 194 HA HIS 27 HA HIS 27 -2.029 -5.753 -5.753 195 1HB HIS 27 2HB HIS 27 -1.645 -4.484 -4.484 196 2HB HIS 27 1HB HIS 27 -0.258 -5.242 -5.242 197 HD1 HIS 27 1HD HIS 27 0.827 -5.207 -5.207 198 HD2 HIS 27 2HD HIS 27 -2.455 -7.699 -7.699 199 HE1 HIS 27 1HE HIS 27 0.821 -6.795 -6.795 200 H THR 28 HN THR 28 -4.167 -5.669 -5.669 201 HA THR 28 HA THR 28 -6.174 -6.303 -6.303 202 HB THR 28 HB THR 28 -6.551 -4.823 -4.823 203 HG1 THR 28 1HG THR 28 -5.764 -6.607 -6.607 204 1HG2 THR 28 2HG2 THR 28 -8.476 -5.028 -5.028 205 2HG2 THR 28 1HG2 THR 28 -8.457 -6.748 -6.748 206 3HG2 THR 28 3HG2 THR 28 -8.757 -5.560 -5.560 207 H TYR 29 HN TYR 29 -6.268 -4.997 -4.997 208 HA TYR 29 HA TYR 29 -5.802 -2.180 -2.180 209 1HB TYR 29 2HB TYR 29 -6.705 -4.062 -4.062 210 2HB TYR 29 1HB TYR 29 -6.776 -2.321 -2.321 211 HD1 TYR 29 1HD TYR 29 -4.455 -5.093 -5.093 212 HD2 TYR 29 2HD TYR 29 -4.856 -1.127 -1.127 213 HE1 TYR 29 1HE TYR 29 -2.079 -5.097 -5.097 214 HE2 TYR 29 2HE TYR 29 -2.482 -1.118 -1.118 215 HH TYR 29 HH TYR 29 -0.271 -3.327 -3.327 216 H HIS 30 HN HIS 30 -7.186 -0.753 -0.753 217 HA HIS 30 HA HIS 30 -10.032 -1.387 -1.387 218 1HB HIS 30 2HB HIS 30 -8.240 0.460 0.460 219 2HB HIS 30 1HB HIS 30 -9.917 0.959 0.959 220 HD1 HIS 30 1HD HIS 30 -7.864 -1.827 -1.827 221 HD2 HIS 30 2HD HIS 30 -11.725 -0.296 -0.296 222 HE1 HIS 30 1HE HIS 30 -9.069 -3.020 -3.020 223 H ILE 31 HN ILE 31 -11.371 -0.646 -0.646 224 HA ILE 31 HA ILE 31 -10.527 1.638 1.638 225 HB ILE 31 HB ILE 31 -12.663 -0.420 -0.420 226 1HG1 ILE 31 2HG1 ILE 31 -9.960 -0.127 -0.127 227 2HG1 ILE 31 1HG1 ILE 31 -10.263 -1.238 -1.238 228 1HG2 ILE 31 1HG2 ILE 31 -12.281 2.134 2.134 229 2HG2 ILE 31 3HG2 ILE 31 -11.665 1.008 1.008 230 3HG2 ILE 31 2HG2 ILE 31 -13.320 0.851 0.851 231 1HD1 ILE 31 1HD1 ILE 31 -11.938 -1.347 -1.347 232 2HD1 ILE 31 3HD1 ILE 31 -10.351 -2.115 -2.115 233 3HD1 ILE 31 2HD1 ILE 31 -11.609 -2.609 -2.609 234 H LYS 32 HN LYS 32 -11.543 3.526 3.526 235 HA LYS 32 HA LYS 32 -13.893 3.703 3.703 236 1HB LYS 32 2HB LYS 32 -12.100 5.252 5.252 237 2HB LYS 32 1HB LYS 32 -12.099 5.824 5.824 238 1HG LYS 32 2HG LYS 32 -13.194 7.458 7.458 239 2HG LYS 32 1HG LYS 32 -14.427 6.646 6.646 240 1HD LYS 32 2HD LYS 32 -15.541 6.213 6.213 241 2HD LYS 32 1HD LYS 32 -14.206 5.174 5.174 242 1HE LYS 32 2HE LYS 32 -14.864 6.978 6.978 243 2HE LYS 32 1HE LYS 32 -13.160 6.938 6.938 244 1HZ LYS 32 1HZ LYS 32 -14.923 8.651 8.651 245 2HZ LYS 32 3HZ LYS 32 -14.559 9.159 9.159 246 3HZ LYS 32 2HZ LYS 32 -13.313 8.890 8.890 247 H ILE 33 HN ILE 33 -15.885 3.884 3.884 248 HA ILE 33 HA ILE 33 -16.252 4.765 4.765 249 HB ILE 33 HB ILE 33 -18.132 2.923 2.923 250 1HG1 ILE 33 2HG1 ILE 33 -16.023 2.052 2.052 251 2HG1 ILE 33 1HG1 ILE 33 -15.780 1.979 1.979 252 1HG2 ILE 33 1HG2 ILE 33 -17.787 3.798 3.798 253 2HG2 ILE 33 3HG2 ILE 33 -18.677 2.334 2.334 254 3HG2 ILE 33 2HG2 ILE 33 -19.219 3.899 3.899 255 1HD1 ILE 33 1HD1 ILE 33 -18.030 0.635 0.635 256 2HD1 ILE 33 3HD1 ILE 33 -17.553 0.353 0.353 257 3HD1 ILE 33 2HD1 ILE 33 -16.490 -0.146 -0.146 258 H THR 34 HN THR 34 -18.277 5.844 5.844 259 HA THR 34 HA THR 34 -19.917 6.795 6.795 260 HB THR 34 HB THR 34 -17.994 8.695 8.695 261 HG1 THR 34 1HG THR 34 -16.946 8.257 8.257 262 1HG2 THR 34 3HG2 THR 34 -20.191 9.756 9.756 263 2HG2 THR 34 2HG2 THR 34 -20.253 9.388 9.388 264 3HG2 THR 34 1HG2 THR 34 -19.030 10.496 10.496 265 H ASN 35 HN ASN 35 -21.743 7.981 7.981 266 HA ASN 35 HA ASN 35 -22.373 7.490 7.490 267 1HB ASN 35 2HB ASN 35 -23.968 6.626 6.626 268 2HB ASN 35 1HB ASN 35 -24.150 8.229 8.229 269 1HD2 ASN 35 2HD2 ASN 35 -25.608 7.768 7.768 270 2HD2 ASN 35 1HD2 ASN 35 -24.066 7.120 7.120 271 H ALA 36 HN ALA 36 -21.848 9.110 9.110 272 HA ALA 36 HA ALA 36 -22.003 11.870 11.870 273 1HB ALA 36 3HB ALA 36 -20.122 10.674 10.674 274 2HB ALA 36 2HB ALA 36 -21.155 11.272 11.272 275 3HB ALA 36 1HB ALA 36 -20.479 12.397 12.397 276 H GLY 37 HN GLY 37 -24.376 10.120 10.120 277 1HA GLY 37 2HA GLY 37 -25.501 11.639 11.639 278 2HA GLY 37 1HA GLY 37 -26.150 10.142 10.142 279 H GLY 38 HN GLY 38 -28.226 10.932 10.932 280 1HA GLY 38 2HA GLY 38 -28.480 13.047 13.047 281 2HA GLY 38 1HA GLY 38 -29.627 12.831 12.831 282 H ARG 39 HN ARG 39 -29.423 9.848 9.848 283 HA ARG 39 HA ARG 39 -31.020 9.617 9.617 284 1HB ARG 39 2HB ARG 39 -32.426 7.974 7.974 285 2HB ARG 39 1HB ARG 39 -32.435 9.489 9.489 286 1HG ARG 39 2HG ARG 39 -30.357 8.029 8.029 287 2HG ARG 39 1HG ARG 39 -31.642 6.850 6.850 288 1HD ARG 39 2HD ARG 39 -32.802 9.234 9.234 289 2HD ARG 39 1HD ARG 39 -31.432 8.787 8.787 290 HE ARG 39 HE ARG 39 -33.151 6.574 6.574 291 1HH1 ARG 39 1HH2 ARG 39 -32.676 9.321 9.321 292 2HH1 ARG 39 2HH2 ARG 39 -33.596 8.651 8.651 293 1HH2 ARG 39 1HH1 ARG 39 -34.364 5.681 5.681 294 2HH2 ARG 39 2HH1 ARG 39 -34.555 6.582 6.582 295 H ARG 40 HN ARG 40 -31.173 7.299 7.299 296 HA ARG 40 HA ARG 40 -28.623 6.305 6.305 297 1HB ARG 40 2HB ARG 40 -29.866 4.243 4.243 298 2HB ARG 40 1HB ARG 40 -30.383 5.763 5.763 299 1HG ARG 40 2HG ARG 40 -32.315 5.840 5.840 300 2HG ARG 40 1HG ARG 40 -31.768 4.409 4.409 301 1HD ARG 40 2HD ARG 40 -33.552 3.997 3.997 302 2HD ARG 40 1HD ARG 40 -32.096 3.019 3.019 303 HE ARG 40 HE ARG 40 -31.643 4.083 4.083 304 1HH1 ARG 40 1HH2 ARG 40 -34.192 5.765 5.765 305 2HH1 ARG 40 2HH2 ARG 40 -34.586 6.779 6.779 306 1HH2 ARG 40 1HH1 ARG 40 -32.154 5.415 5.415 307 2HH2 ARG 40 2HH1 ARG 40 -33.427 6.579 6.579 308 H ILE 41 HN ILE 41 -27.783 4.118 4.118 309 HA ILE 41 HA ILE 41 -28.657 3.033 3.033 310 HB ILE 41 HB ILE 41 -26.341 3.092 3.092 311 1HG1 ILE 41 2HG1 ILE 41 -25.735 5.323 5.323 312 2HG1 ILE 41 1HG1 ILE 41 -25.431 3.661 3.661 313 1HG2 ILE 41 2HG2 ILE 41 -28.229 4.741 4.741 314 2HG2 ILE 41 1HG2 ILE 41 -27.321 5.885 5.885 315 3HG2 ILE 41 3HG2 ILE 41 -26.589 5.198 5.198 316 1HD1 ILE 41 1HD1 ILE 41 -24.298 4.948 4.948 317 2HD1 ILE 41 3HD1 ILE 41 -23.450 4.783 4.783 318 3HD1 ILE 41 2HD1 ILE 41 -23.918 3.345 3.345 319 H GLY 42 HN GLY 42 -28.262 0.899 0.899 320 1HA GLY 42 2HA GLY 42 -26.931 -0.438 -0.438 321 2HA GLY 42 1HA GLY 42 -28.068 -1.188 -1.188 322 H TRP 43 HN TRP 43 -24.837 -0.833 -0.833 323 HA TRP 43 HA TRP 43 -23.934 -1.536 -1.536 324 1HB TRP 43 2HB TRP 43 -21.670 -0.970 -0.970 325 2HB TRP 43 1HB TRP 43 -22.793 0.377 0.377 326 HD1 TRP 43 1HD TRP 43 -23.803 0.773 0.773 327 HE1 TRP 43 1HE TRP 43 -22.599 0.487 0.487 328 HE3 TRP 43 3HE TRP 43 -19.936 -2.210 -2.210 329 HZ2 TRP 43 2HZ TRP 43 -20.310 -0.824 -0.824 330 HZ3 TRP 43 3HZ TRP 43 -18.281 -2.933 -2.933 331 HH2 TRP 43 2HH TRP 43 -18.466 -2.255 -2.255 332 H ALA 44 HN ALA 44 -22.326 -3.185 -3.185 333 HA ALA 44 HA ALA 44 -22.086 -5.155 -5.155 334 1HB ALA 44 2HB ALA 44 -23.582 -5.573 -5.573 335 2HB ALA 44 1HB ALA 44 -22.606 -6.905 -6.905 336 3HB ALA 44 3HB ALA 44 -23.888 -6.216 -6.216 337 H ILE 45 HN ILE 45 -20.291 -6.546 -6.546 338 HA ILE 45 HA ILE 45 -18.451 -5.784 -5.784 339 HB ILE 45 HB ILE 45 -17.589 -6.637 -6.637 340 1HG1 ILE 45 2HG1 ILE 45 -18.876 -4.495 -4.495 341 2HG1 ILE 45 1HG1 ILE 45 -17.193 -4.316 -4.316 342 1HG2 ILE 45 2HG2 ILE 45 -16.227 -5.845 -5.845 343 2HG2 ILE 45 1HG2 ILE 45 -15.543 -5.228 -5.228 344 3HG2 ILE 45 3HG2 ILE 45 -15.722 -6.967 -6.967 345 1HD1 ILE 45 3HD1 ILE 45 -18.291 -3.665 -3.665 346 2HD1 ILE 45 2HD1 ILE 45 -17.953 -2.496 -2.496 347 3HD1 ILE 45 1HD1 ILE 45 -16.635 -3.415 -3.415 348 H LYS 46 HN LYS 46 -17.065 -7.378 -7.378 349 HA LYS 46 HA LYS 46 -17.356 -10.122 -10.122 350 1HB LYS 46 2HB LYS 46 -18.101 -10.993 -10.993 351 2HB LYS 46 1HB LYS 46 -19.249 -9.782 -9.782 352 1HG LYS 46 2HG LYS 46 -18.151 -8.134 -8.134 353 2HG LYS 46 1HG LYS 46 -17.140 -9.440 -9.440 354 1HD LYS 46 2HD LYS 46 -20.142 -9.583 -9.583 355 2HD LYS 46 1HD LYS 46 -19.225 -8.847 -8.847 356 1HE LYS 46 2HE LYS 46 -17.914 -11.210 -11.210 357 2HE LYS 46 1HE LYS 46 -19.569 -11.672 -11.672 358 1HZ LYS 46 1HZ LYS 46 -18.932 -10.136 -10.136 359 2HZ LYS 46 3HZ LYS 46 -18.845 -11.825 -11.825 360 3HZ LYS 46 2HZ LYS 46 -20.314 -11.049 -11.049 361 H THR 47 HN THR 47 -15.541 -11.298 -11.298 362 HA THR 47 HA THR 47 -13.501 -10.097 -10.097 363 HB THR 47 HB THR 47 -11.787 -10.663 -10.663 364 HG1 THR 47 1HG THR 47 -13.762 -12.206 -12.206 365 1HG2 THR 47 3HG2 THR 47 -13.925 -9.055 -9.055 366 2HG2 THR 47 2HG2 THR 47 -13.351 -9.997 -9.997 367 3HG2 THR 47 1HG2 THR 47 -12.226 -8.987 -8.987 368 H THR 48 HN THR 48 -12.026 -11.555 -11.555 369 HA THR 48 HA THR 48 -13.243 -13.829 -13.829 370 HB THR 48 HB THR 48 -10.994 -14.287 -14.287 371 HG1 THR 48 1HG THR 48 -9.271 -13.126 -13.126 372 1HG2 THR 48 2HG2 THR 48 -12.609 -12.146 -12.146 373 2HG2 THR 48 1HG2 THR 48 -11.012 -11.421 -11.421 374 3HG2 THR 48 3HG2 THR 48 -11.257 -12.732 -12.732 375 H ASN 49 HN ASN 49 -11.104 -13.408 -13.408 376 HA ASN 49 HA ASN 49 -11.303 -16.301 -16.301 377 1HB ASN 49 2HB ASN 49 -8.969 -14.925 -14.925 378 2HB ASN 49 1HB ASN 49 -9.070 -14.908 -14.908 379 1HD2 ASN 49 2HD2 ASN 49 -7.813 -18.095 -18.095 380 2HD2 ASN 49 1HD2 ASN 49 -7.983 -16.495 -16.495 381 H MET 50 HN MET 50 -12.781 -16.543 -16.543 382 HA MET 50 HA MET 50 -12.873 -14.601 -14.601 383 1HB MET 50 2HB MET 50 -14.875 -16.502 -16.502 384 2HB MET 50 1HB MET 50 -15.062 -15.948 -15.948 385 1HG MET 50 2HG MET 50 -14.922 -14.205 -14.205 386 2HG MET 50 1HG MET 50 -16.372 -14.597 -14.597 387 1HE MET 50 2HE MET 50 -17.326 -13.375 -13.375 388 2HE MET 50 1HE MET 50 -16.397 -13.595 -13.595 389 3HE MET 50 3HE MET 50 -16.737 -11.970 -11.970 390 H ARG 51 HN ARG 51 -10.908 -16.823 -16.823 391 HA ARG 51 HA ARG 51 -11.586 -18.463 -18.463 392 1HB ARG 51 2HB ARG 51 -9.200 -19.029 -19.029 393 2HB ARG 51 1HB ARG 51 -10.232 -20.144 -20.144 394 1HG ARG 51 2HG ARG 51 -12.037 -19.594 -19.594 395 2HG ARG 51 1HG ARG 51 -10.771 -18.804 -18.804 396 1HD ARG 51 2HD ARG 51 -10.547 -20.846 -20.846 397 2HD ARG 51 1HD ARG 51 -9.583 -21.169 -21.169 398 HE ARG 51 HE ARG 51 -12.268 -21.735 -21.735 399 1HH1 ARG 51 1HH2 ARG 51 -9.646 -22.936 -22.936 400 2HH1 ARG 51 2HH2 ARG 51 -10.203 -24.575 -24.575 401 1HH2 ARG 51 1HH1 ARG 51 -13.010 -23.891 -23.891 402 2HH2 ARG 51 2HH1 ARG 51 -12.116 -25.119 -25.119 403 H ARG 52 HN ARG 52 -9.128 -16.332 -16.332 404 HA ARG 52 HA ARG 52 -7.728 -16.350 -16.350 405 1HB ARG 52 2HB ARG 52 -6.780 -15.465 -15.465 406 2HB ARG 52 1HB ARG 52 -5.837 -15.323 -15.323 407 1HG ARG 52 2HG ARG 52 -6.868 -18.014 -18.014 408 2HG ARG 52 1HG ARG 52 -5.696 -17.403 -17.403 409 1HD ARG 52 2HD ARG 52 -4.325 -18.409 -18.409 410 2HD ARG 52 1HD ARG 52 -4.337 -16.738 -16.738 411 HE ARG 52 HE ARG 52 -6.388 -18.289 -18.289 412 1HH1 ARG 52 1HH2 ARG 52 -2.983 -17.566 -17.566 413 2HH1 ARG 52 2HH2 ARG 52 -2.811 -17.955 -17.955 414 1HH2 ARG 52 1HH1 ARG 52 -6.175 -18.805 -18.805 415 2HH2 ARG 52 2HH1 ARG 52 -4.627 -18.661 -18.661 416 H LEU 53 HN LEU 53 -9.351 -14.337 -14.337 417 HA LEU 53 HA LEU 53 -8.839 -11.946 -11.946 418 1HB LEU 53 2HB LEU 53 -10.392 -11.849 -11.849 419 2HB LEU 53 1HB LEU 53 -9.295 -10.665 -10.665 420 HG LEU 53 HG LEU 53 -8.295 -13.275 -13.275 421 1HD1 LEU 53 1HD1 LEU 53 -8.696 -10.688 -10.688 422 2HD1 LEU 53 3HD1 LEU 53 -7.833 -12.102 -12.102 423 3HD1 LEU 53 2HD1 LEU 53 -9.563 -12.198 -12.198 424 1HD2 LEU 53 2HD2 LEU 53 -7.065 -11.300 -11.300 425 2HD2 LEU 53 1HD2 LEU 53 -6.253 -12.456 -12.456 426 3HD2 LEU 53 3HD2 LEU 53 -6.681 -10.856 -10.856 427 H SER 54 HN SER 54 -10.290 -11.400 -11.400 428 HA SER 54 HA SER 54 -13.111 -12.093 -12.093 429 1HB SER 54 2HB SER 54 -11.762 -11.959 -11.959 430 2HB SER 54 1HB SER 54 -13.415 -12.473 -12.473 431 HG SER 54 HG SER 54 -11.021 -13.834 -13.834 432 H VAL 55 HN VAL 55 -14.084 -10.258 -10.258 433 HA VAL 55 HA VAL 55 -13.283 -7.717 -7.717 434 HB VAL 55 HB VAL 55 -15.679 -8.110 -8.110 435 1HG1 VAL 55 1HG1 VAL 55 -14.051 -5.876 -5.876 436 2HG1 VAL 55 3HG1 VAL 55 -14.382 -5.840 -5.840 437 3HG1 VAL 55 2HG1 VAL 55 -15.716 -5.902 -5.902 438 1HG2 VAL 55 3HG2 VAL 55 -12.906 -8.660 -8.660 439 2HG2 VAL 55 2HG2 VAL 55 -14.377 -8.999 -8.999 440 3HG2 VAL 55 1HG2 VAL 55 -13.614 -7.413 -7.413 441 H ASP 56 HN ASP 56 -14.740 -6.299 -6.299 442 HA ASP 56 HA ASP 56 -17.300 -7.090 -7.090 443 1HB ASP 56 2HB ASP 56 -15.319 -8.424 -8.424 444 2HB ASP 56 1HB ASP 56 -15.665 -7.061 -7.061 445 HA PRO 57 HA PRO 57 -18.990 -6.288 -6.288 446 1HB PRO 57 2HB PRO 57 -20.402 -3.924 -3.924 447 2HB PRO 57 1HB PRO 57 -20.678 -4.856 -4.856 448 1HG PRO 57 2HG PRO 57 -19.667 -2.349 -2.349 449 2HG PRO 57 1HG PRO 57 -19.230 -3.573 -3.573 450 1HD PRO 57 2HD PRO 57 -17.705 -2.660 -2.660 451 2HD PRO 57 1HD PRO 57 -17.114 -3.015 -3.015 452 HA PRO 58 HA PRO 58 -18.542 -7.185 -7.185 453 1HB PRO 58 2HB PRO 58 -21.072 -8.678 -8.678 454 2HB PRO 58 1HB PRO 58 -19.528 -9.240 -9.240 455 1HG PRO 58 2HG PRO 58 -20.319 -9.933 -9.933 456 2HG PRO 58 1HG PRO 58 -18.617 -9.576 -9.576 457 1HD PRO 58 2HD PRO 58 -20.672 -7.880 -7.880 458 2HD PRO 58 1HD PRO 58 -18.947 -8.081 -8.081 459 H CYS 59 HN CYS 59 -21.826 -6.592 -6.592 460 HA CYS 59 HA CYS 59 -22.251 -4.693 -4.693 461 1HB CYS 59 2HB CYS 59 -24.650 -5.580 -5.580 462 2HB CYS 59 1HB CYS 59 -23.399 -6.583 -6.583 463 HG CYS 59 HG CYS 59 -23.760 -8.338 -8.338 464 H GLY 60 HN GLY 60 -24.599 -3.646 -3.646 465 1HA GLY 60 2HA GLY 60 -25.738 -3.297 -3.297 466 2HA GLY 60 1HA GLY 60 -24.254 -2.373 -2.373 467 H VAL 61 HN VAL 61 -25.921 -0.661 -0.661 468 HA VAL 61 HA VAL 61 -26.369 0.753 0.753 469 HB VAL 61 HB VAL 61 -28.575 0.470 0.470 470 1HG1 VAL 61 3HG1 VAL 61 -28.418 2.571 2.571 471 2HG1 VAL 61 2HG1 VAL 61 -28.745 1.547 1.547 472 3HG1 VAL 61 1HG1 VAL 61 -29.935 1.677 1.677 473 1HG2 VAL 61 3HG2 VAL 61 -28.286 -0.872 -0.872 474 2HG2 VAL 61 2HG2 VAL 61 -28.223 -1.663 -1.663 475 3HG2 VAL 61 1HG2 VAL 61 -29.723 -0.920 -0.920 476 H LEU 62 HN LEU 62 -26.270 2.971 2.971 477 HA LEU 62 HA LEU 62 -25.954 4.087 4.087 478 1HB LEU 62 2HB LEU 62 -24.112 5.544 5.544 479 2HB LEU 62 1HB LEU 62 -23.716 3.868 3.868 480 HG LEU 62 HG LEU 62 -24.494 4.850 4.850 481 1HD1 LEU 62 1HD1 LEU 62 -21.934 5.050 5.050 482 2HD1 LEU 62 3HD1 LEU 62 -21.851 4.439 4.439 483 3HD1 LEU 62 2HD1 LEU 62 -22.568 6.018 6.018 484 1HD2 LEU 62 1HD2 LEU 62 -23.879 2.282 2.282 485 2HD2 LEU 62 3HD2 LEU 62 -24.515 2.666 2.666 486 3HD2 LEU 62 2HD2 LEU 62 -22.775 2.669 2.669 487 H ASP 63 HN ASP 63 -26.852 6.048 6.048 488 HA ASP 63 HA ASP 63 -28.762 7.009 7.009 489 1HB ASP 63 2HB ASP 63 -28.019 7.515 7.515 490 2HB ASP 63 1HB ASP 63 -28.082 9.063 9.063 491 HA PRO 64 HA PRO 64 -26.847 10.140 10.140 492 1HB PRO 64 2HB PRO 64 -28.077 12.402 12.402 493 2HB PRO 64 1HB PRO 64 -28.236 11.936 11.936 494 1HG PRO 64 2HG PRO 64 -30.239 11.568 11.568 495 2HG PRO 64 1HG PRO 64 -29.909 10.402 10.402 496 1HD PRO 64 2HD PRO 64 -29.243 10.240 10.240 497 2HD PRO 64 1HD PRO 64 -29.816 8.968 8.968 498 H LYS 65 HN LYS 65 -24.724 10.449 10.449 499 HA LYS 65 HA LYS 65 -22.756 11.410 11.410 500 1HB LYS 65 2HB LYS 65 -24.372 13.437 13.437 501 2HB LYS 65 1HB LYS 65 -24.131 13.093 13.093 502 1HG LYS 65 2HG LYS 65 -22.033 13.891 13.891 503 2HG LYS 65 1HG LYS 65 -21.674 13.242 13.242 504 1HD LYS 65 2HD LYS 65 -21.719 15.420 15.420 505 2HD LYS 65 1HD LYS 65 -23.462 15.150 15.150 506 1HE LYS 65 2HE LYS 65 -22.272 15.904 15.904 507 2HE LYS 65 1HE LYS 65 -22.366 17.153 17.153 508 1HZ LYS 65 1HZ LYS 65 -24.814 16.193 16.193 509 2HZ LYS 65 3HZ LYS 65 -24.508 15.820 15.820 510 3HZ LYS 65 2HZ LYS 65 -24.397 17.421 17.421 511 H GLU 66 HN GLU 66 -23.926 9.071 9.071 512 HA GLU 66 HA GLU 66 -22.967 9.301 9.301 513 1HB GLU 66 2HB GLU 66 -24.701 7.447 7.447 514 2HB GLU 66 1HB GLU 66 -23.625 6.663 6.663 515 1HG GLU 66 2HG GLU 66 -24.747 8.903 8.903 516 2HG GLU 66 1HG GLU 66 -26.058 8.047 8.047 517 H LYS 67 HN LYS 67 -21.359 7.896 7.896 518 HA LYS 67 HA LYS 67 -19.433 6.964 6.964 519 1HB LYS 67 2HB LYS 67 -18.736 7.795 7.795 520 2HB LYS 67 1HB LYS 67 -17.647 7.559 7.559 521 1HG LYS 67 2HG LYS 67 -18.675 9.504 9.504 522 2HG LYS 67 1HG LYS 67 -19.677 9.759 9.759 523 1HD LYS 67 2HD LYS 67 -17.854 10.363 10.363 524 2HD LYS 67 1HD LYS 67 -16.692 9.614 9.614 525 1HE LYS 67 2HE LYS 67 -17.266 11.343 11.343 526 2HE LYS 67 1HE LYS 67 -18.289 12.125 12.125 527 1HZ LYS 67 1HZ LYS 67 -15.585 11.590 11.590 528 2HZ LYS 67 3HZ LYS 67 -15.702 12.701 12.701 529 3HZ LYS 67 2HZ LYS 67 -16.525 12.984 12.984 530 H VAL 68 HN VAL 68 -18.470 4.986 4.986 531 HA VAL 68 HA VAL 68 -19.138 3.351 3.351 532 HB VAL 68 HB VAL 68 -20.877 2.886 2.886 533 1HG1 VAL 68 1HG1 VAL 68 -19.337 3.323 3.323 534 2HG1 VAL 68 3HG1 VAL 68 -18.660 1.719 1.719 535 3HG1 VAL 68 2HG1 VAL 68 -20.363 1.897 1.897 536 1HG2 VAL 68 3HG2 VAL 68 -18.932 0.748 0.748 537 2HG2 VAL 68 2HG2 VAL 68 -20.521 1.115 1.115 538 3HG2 VAL 68 1HG2 VAL 68 -20.390 0.364 0.364 539 H LEU 69 HN LEU 69 -17.447 2.177 2.177 540 HA LEU 69 HA LEU 69 -15.001 2.269 2.269 541 1HB LEU 69 2HB LEU 69 -15.530 2.350 2.350 542 2HB LEU 69 1HB LEU 69 -15.027 0.683 0.683 543 HG LEU 69 HG LEU 69 -12.937 1.539 1.539 544 1HD1 LEU 69 1HD1 LEU 69 -14.224 4.120 4.120 545 2HD1 LEU 69 3HD1 LEU 69 -12.468 3.984 3.984 546 3HD1 LEU 69 2HD1 LEU 69 -13.309 3.688 3.688 547 1HD2 LEU 69 1HD2 LEU 69 -13.531 2.260 2.260 548 2HD2 LEU 69 3HD2 LEU 69 -12.804 0.773 0.773 549 3HD2 LEU 69 2HD2 LEU 69 -11.914 2.293 2.293 550 H MET 70 HN MET 70 -13.921 0.570 0.570 551 HA MET 70 HA MET 70 -15.241 -2.062 -2.062 552 1HB MET 70 2HB MET 70 -15.700 -0.889 -0.889 553 2HB MET 70 1HB MET 70 -13.969 -0.779 -0.779 554 1HG MET 70 2HG MET 70 -13.755 -3.057 -3.057 555 2HG MET 70 1HG MET 70 -15.271 -3.431 -3.431 556 1HE MET 70 3HE MET 70 -13.588 -2.004 -2.004 557 2HE MET 70 2HE MET 70 -14.986 -1.490 -1.490 558 3HE MET 70 1HE MET 70 -14.562 -0.637 -0.637 559 H ALA 71 HN ALA 71 -13.822 -3.868 -3.868 560 HA ALA 71 HA ALA 71 -10.961 -3.315 -3.315 561 1HB ALA 71 2HB ALA 71 -12.009 -3.741 -3.741 562 2HB ALA 71 1HB ALA 71 -12.354 -5.379 -5.379 563 3HB ALA 71 3HB ALA 71 -10.684 -4.823 -4.823 564 H VAL 72 HN VAL 72 -9.575 -4.972 -4.972 565 HA VAL 72 HA VAL 72 -10.863 -7.151 -7.151 566 HB VAL 72 HB VAL 72 -8.542 -5.487 -5.487 567 1HG1 VAL 72 1HG1 VAL 72 -10.007 -7.805 -7.805 568 2HG1 VAL 72 3HG1 VAL 72 -8.825 -6.792 -6.792 569 3HG1 VAL 72 2HG1 VAL 72 -8.330 -7.784 -7.784 570 1HG2 VAL 72 1HG2 VAL 72 -11.419 -5.213 -5.213 571 2HG2 VAL 72 3HG2 VAL 72 -10.128 -4.080 -4.080 572 3HG2 VAL 72 2HG2 VAL 72 -10.586 -5.335 -5.335 573 H SER 73 HN SER 73 -10.318 -8.530 -8.530 574 HA SER 73 HA SER 73 -7.785 -8.828 -8.828 575 1HB SER 73 2HB SER 73 -10.261 -10.418 -10.418 576 2HB SER 73 1HB SER 73 -8.795 -11.367 -11.367 577 HG SER 73 HG SER 73 -9.474 -10.745 -10.745 578 H CYS 74 HN CYS 74 -5.956 -9.828 -9.828 579 HA CYS 74 HA CYS 74 -5.982 -11.634 -11.634 580 1HB CYS 74 2HB CYS 74 -5.458 -9.235 -9.235 581 2HB CYS 74 1HB CYS 74 -3.954 -9.410 -9.410 582 HG CYS 74 HG CYS 74 -3.362 -10.059 -10.059 583 H ASP 75 HN ASP 75 -5.554 -13.301 -13.301 584 HA ASP 75 HA ASP 75 -3.654 -13.363 -13.363 585 1HB ASP 75 2HB ASP 75 -4.603 -15.567 -15.567 586 2HB ASP 75 1HB ASP 75 -3.566 -15.853 -15.853 587 H THR 76 HN THR 76 -1.517 -14.193 -14.193 588 HA THR 76 HA THR 76 0.201 -13.249 -13.249 589 HB THR 76 HB THR 76 1.956 -13.853 -13.853 590 HG1 THR 76 1HG THR 76 2.024 -15.643 -15.643 591 1HG2 THR 76 3HG2 THR 76 0.133 -12.413 -12.413 592 2HG2 THR 76 2HG2 THR 76 -0.125 -13.853 -13.853 593 3HG2 THR 76 1HG2 THR 76 1.458 -13.075 -13.075 594 H PHE 77 HN PHE 77 0.626 -14.184 -14.184 595 HA PHE 77 HA PHE 77 0.911 -17.099 -17.099 596 1HB PHE 77 2HB PHE 77 -0.433 -17.314 -17.314 597 2HB PHE 77 1HB PHE 77 -1.385 -16.409 -16.409 598 HD1 PHE 77 2HD PHE 77 -1.265 -13.818 -13.818 599 HD2 PHE 77 1HD PHE 77 -0.205 -16.512 -16.512 600 HE1 PHE 77 2HE PHE 77 -1.594 -12.026 -12.026 601 HE2 PHE 77 1HE PHE 77 -0.531 -14.725 -14.725 602 HZ PHE 77 HZ PHE 77 -1.226 -12.478 -12.478 603 H ASN 78 HN ASN 78 1.357 -17.302 -17.302 604 HA ASN 78 HA ASN 78 3.636 -15.524 -15.524 605 1HB ASN 78 2HB ASN 78 3.938 -18.150 -18.150 606 2HB ASN 78 1HB ASN 78 4.131 -18.253 -18.253 607 1HD2 ASN 78 2HD2 ASN 78 7.469 -17.472 -17.472 608 2HD2 ASN 78 1HD2 ASN 78 6.273 -18.586 -18.586 609 H ALA 79 HN ALA 79 3.928 -14.961 -14.961 610 HA ALA 79 HA ALA 79 1.823 -15.777 -15.777 611 1HB ALA 79 1HB ALA 79 3.863 -13.566 -13.566 612 2HB ALA 79 3HB ALA 79 2.657 -13.899 -13.899 613 3HB ALA 79 2HB ALA 79 2.146 -13.410 -13.410 614 H ALA 80 HN ALA 80 4.348 -17.371 -17.371 615 HA ALA 80 HA ALA 80 5.597 -17.588 -17.588 616 1HB ALA 80 1HB ALA 80 6.588 -17.802 -17.802 617 2HB ALA 80 3HB ALA 80 6.634 -19.438 -19.438 618 3HB ALA 80 2HB ALA 80 7.452 -18.123 -18.123 619 H THR 81 HN THR 81 3.421 -19.252 -19.252 620 HA THR 81 HA THR 81 2.893 -21.212 -21.212 621 HB THR 81 HB THR 81 3.108 -23.125 -23.125 622 HG1 THR 81 1HG THR 81 3.301 -22.855 -22.855 623 1HG2 THR 81 3HG2 THR 81 5.131 -22.148 -22.148 624 2HG2 THR 81 2HG2 THR 81 5.688 -21.670 -21.670 625 3HG2 THR 81 1HG2 THR 81 5.395 -23.372 -23.372 626 H GLU 82 HN GLU 82 1.261 -19.160 -19.160 627 HA GLU 82 HA GLU 82 -0.973 -20.560 -20.560 628 1HB GLU 82 2HB GLU 82 -0.050 -17.760 -17.760 629 2HB GLU 82 1HB GLU 82 -1.614 -18.410 -18.410 630 1HG GLU 82 2HG GLU 82 1.036 -19.585 -19.585 631 2HG GLU 82 1HG GLU 82 0.078 -18.489 -18.489 632 H ASP 83 HN ASP 83 -3.081 -19.434 -19.434 633 HA ASP 83 HA ASP 83 -3.574 -19.181 -19.181 634 1HB ASP 83 2HB ASP 83 -5.287 -19.512 -19.512 635 2HB ASP 83 1HB ASP 83 -5.156 -17.795 -17.795 636 H LEU 84 HN LEU 84 -3.225 -17.662 -17.662 637 HA LEU 84 HA LEU 84 -3.124 -14.855 -14.855 638 1HB LEU 84 2HB LEU 84 -0.754 -16.311 -16.311 639 2HB LEU 84 1HB LEU 84 -0.925 -14.566 -14.566 640 HG LEU 84 HG LEU 84 -0.886 -16.201 -16.201 641 1HD1 LEU 84 3HD1 LEU 84 1.235 -16.417 -16.417 642 2HD1 LEU 84 2HD1 LEU 84 1.375 -14.659 -14.659 643 3HD1 LEU 84 1HD1 LEU 84 1.416 -15.526 -15.526 644 1HD2 LEU 84 3HD2 LEU 84 -1.407 -13.432 -13.432 645 2HD2 LEU 84 2HD2 LEU 84 -1.574 -14.293 -14.293 646 3HD2 LEU 84 1HD2 LEU 84 -0.019 -13.596 -13.596 647 H ASN 85 HN ASN 85 -4.989 -14.796 -14.796 648 HA ASN 85 HA ASN 85 -4.400 -14.870 -14.870 649 1HB ASN 85 2HB ASN 85 -7.156 -15.360 -15.360 650 2HB ASN 85 1HB ASN 85 -6.523 -15.755 -15.755 651 1HD2 ASN 85 2HD2 ASN 85 -4.709 -18.622 -18.622 652 2HD2 ASN 85 1HD2 ASN 85 -4.483 -17.236 -17.236 653 H ASN 86 HN ASN 86 -4.284 -12.728 -12.728 654 HA ASN 86 HA ASN 86 -4.635 -10.483 -10.483 655 1HB ASN 86 2HB ASN 86 -6.481 -10.761 -10.761 656 2HB ASN 86 1HB ASN 86 -5.549 -9.355 -9.355 657 1HD2 ASN 86 2HD2 ASN 86 -4.033 -11.918 -11.918 658 2HD2 ASN 86 1HD2 ASN 86 -5.685 -11.889 -11.889 659 H ASP 87 HN ASP 87 -5.704 -10.511 -10.511 660 HA ASP 87 HA ASP 87 -8.447 -11.208 -11.208 661 1HB ASP 87 2HB ASP 87 -6.738 -11.276 -11.276 662 2HB ASP 87 1HB ASP 87 -6.778 -9.516 -9.516 663 H ARG 88 HN ARG 88 -10.240 -9.875 -9.875 664 HA ARG 88 HA ARG 88 -9.924 -7.016 -7.016 665 1HB ARG 88 2HB ARG 88 -12.067 -8.509 -8.509 666 2HB ARG 88 1HB ARG 88 -11.373 -6.933 -6.933 667 1HG ARG 88 2HG ARG 88 -9.263 -8.062 -8.062 668 2HG ARG 88 1HG ARG 88 -10.069 -9.613 -9.613 669 1HD ARG 88 2HD ARG 88 -11.002 -7.466 -7.466 670 2HD ARG 88 1HD ARG 88 -10.021 -8.855 -8.855 671 HE ARG 88 HE ARG 88 -12.297 -9.801 -9.801 672 1HH1 ARG 88 1HH2 ARG 88 -11.440 -8.145 -8.145 673 2HH1 ARG 88 2HH2 ARG 88 -12.785 -8.768 -8.768 674 1HH2 ARG 88 1HH1 ARG 88 -14.072 -10.628 -10.628 675 2HH2 ARG 88 2HH1 ARG 88 -14.282 -10.180 -10.180 676 H ILE 89 HN ILE 89 -11.350 -5.753 -5.753 677 HA ILE 89 HA ILE 89 -13.367 -7.149 -7.149 678 HB ILE 89 HB ILE 89 -11.997 -4.508 -4.508 679 1HG1 ILE 89 2HG1 ILE 89 -11.744 -7.158 -7.158 680 2HG1 ILE 89 1HG1 ILE 89 -10.565 -6.522 -6.522 681 1HG2 ILE 89 1HG2 ILE 89 -13.988 -6.043 -6.043 682 2HG2 ILE 89 3HG2 ILE 89 -13.123 -4.592 -4.592 683 3HG2 ILE 89 2HG2 ILE 89 -14.274 -4.508 -4.508 684 1HD1 ILE 89 3HD1 ILE 89 -11.281 -4.757 -4.757 685 2HD1 ILE 89 2HD1 ILE 89 -10.373 -6.216 -6.216 686 3HD1 ILE 89 1HD1 ILE 89 -9.719 -5.059 -5.059 687 H THR 90 HN THR 90 -15.118 -7.062 -7.062 688 HA THR 90 HA THR 90 -15.890 -4.640 -4.640 689 HB THR 90 HB THR 90 -17.853 -6.838 -6.838 690 HG1 THR 90 1HG THR 90 -15.401 -7.149 -7.149 691 1HG2 THR 90 1HG2 THR 90 -17.491 -4.740 -4.740 692 2HG2 THR 90 3HG2 THR 90 -17.113 -6.207 -6.207 693 3HG2 THR 90 2HG2 THR 90 -18.672 -6.046 -6.046 694 H ILE 91 HN ILE 91 -17.486 -3.221 -3.221 695 HA ILE 91 HA ILE 91 -18.944 -3.661 -3.661 696 HB ILE 91 HB ILE 91 -17.756 -0.998 -0.998 697 1HG1 ILE 91 2HG1 ILE 91 -16.345 -1.623 -1.623 698 2HG1 ILE 91 1HG1 ILE 91 -16.646 -3.261 -3.261 699 1HG2 ILE 91 2HG2 ILE 91 -19.747 -1.756 -1.756 700 2HG2 ILE 91 1HG2 ILE 91 -18.315 -1.316 -1.316 701 3HG2 ILE 91 3HG2 ILE 91 -19.007 -0.169 -0.169 702 1HD1 ILE 91 3HD1 ILE 91 -15.658 -2.658 -2.658 703 2HD1 ILE 91 2HD1 ILE 91 -15.300 -1.051 -1.051 704 3HD1 ILE 91 1HD1 ILE 91 -14.529 -2.472 -2.472 705 H GLU 92 HN GLU 92 -21.018 -3.752 -3.752 706 HA GLU 92 HA GLU 92 -22.006 -1.842 -1.842 707 1HB GLU 92 2HB GLU 92 -23.880 -3.528 -3.528 708 2HB GLU 92 1HB GLU 92 -22.295 -4.010 -4.010 709 1HG GLU 92 2HG GLU 92 -22.755 -4.806 -4.806 710 2HG GLU 92 1HG GLU 92 -23.943 -5.477 -5.477 711 H TRP 93 HN TRP 93 -23.377 -0.343 -0.343 712 HA TRP 93 HA TRP 93 -25.038 -0.928 -0.928 713 1HB TRP 93 2HB TRP 93 -24.561 1.157 1.157 714 2HB TRP 93 1HB TRP 93 -23.003 0.468 0.468 715 HD1 TRP 93 1HD TRP 93 -25.129 3.512 3.512 716 HE1 TRP 93 1HE TRP 93 -23.931 5.175 5.175 717 HE3 TRP 93 3HE TRP 93 -21.367 0.485 0.485 718 HZ2 TRP 93 2HZ TRP 93 -21.688 5.201 5.201 719 HZ3 TRP 93 3HZ TRP 93 -19.738 1.407 1.407 720 HH2 TRP 93 2HH TRP 93 -19.897 3.717 3.717 721 H THR 94 HN THR 94 -27.084 -0.065 -0.065 722 HA THR 94 HA THR 94 -27.822 1.714 1.714 723 HB THR 94 HB THR 94 -28.374 -0.326 -0.326 724 HG1 THR 94 1HG THR 94 -30.192 1.237 1.237 725 1HG2 THR 94 2HG2 THR 94 -28.427 -1.391 -1.391 726 2HG2 THR 94 1HG2 THR 94 -30.066 -1.589 -1.589 727 3HG2 THR 94 3HG2 THR 94 -28.698 -2.244 -2.244 728 H ASN 95 HN ASN 95 -29.591 3.025 3.025 729 HA ASN 95 HA ASN 95 -30.114 3.692 3.692 730 1HB ASN 95 2HB ASN 95 -31.905 4.350 4.350 731 2HB ASN 95 1HB ASN 95 -31.710 5.262 5.262 732 1HD2 ASN 95 2HD2 ASN 95 -29.679 6.487 6.487 733 2HD2 ASN 95 1HD2 ASN 95 -31.241 5.749 5.749 734 H THR 96 HN THR 96 -31.565 3.000 3.000 735 HA THR 96 HA THR 96 -33.103 0.657 0.657 736 HB THR 96 HB THR 96 -33.592 0.602 0.602 737 HG1 THR 96 1HG THR 96 -33.966 2.327 2.327 738 1HG2 THR 96 1HG2 THR 96 -31.107 0.592 0.592 739 2HG2 THR 96 3HG2 THR 96 -31.097 2.258 2.258 740 3HG2 THR 96 2HG2 THR 96 -31.596 0.952 0.952 741 HA PRO 97 HA PRO 97 -36.910 2.307 2.307 742 1HB PRO 97 2HB PRO 97 -38.155 0.389 0.389 743 2HB PRO 97 1HB PRO 97 -38.458 0.613 0.613 744 1HG PRO 97 2HG PRO 97 -37.032 -1.460 -1.460 745 2HG PRO 97 1HG PRO 97 -36.586 -0.607 -0.607 746 1HD PRO 97 2HD PRO 97 -35.326 -0.495 -0.495 747 2HD PRO 97 1HD PRO 97 -34.573 -0.388 -0.388 748 H ASP 98 HN ASP 98 -38.829 3.429 3.429 749 HA ASP 98 HA ASP 98 -38.424 5.328 5.328 750 1HB ASP 98 2HB ASP 98 -40.890 4.222 4.222 751 2HB ASP 98 1HB ASP 98 -41.060 5.355 5.355 752 H GLY 99 HN GLY 99 -38.174 5.193 5.193 753 1HA GLY 99 2HA GLY 99 -38.305 4.426 4.426 754 2HA GLY 99 1HA GLY 99 -39.985 4.077 4.077 755 H ALA 100 HN ALA 100 -36.989 2.653 2.653 756 HA ALA 100 HA ALA 100 -37.993 0.020 0.020 757 1HB ALA 100 3HB ALA 100 -35.905 1.184 1.184 758 2HB ALA 100 2HB ALA 100 -35.064 0.363 0.363 759 3HB ALA 100 1HB ALA 100 -36.069 -0.561 -0.561 760 H ALA 101 HN ALA 101 -36.852 -1.786 -1.786 761 HA ALA 101 HA ALA 101 -37.119 -1.358 -1.358 762 1HB ALA 101 3HB ALA 101 -36.105 -3.734 -3.734 763 2HB ALA 101 2HB ALA 101 -36.406 -3.721 -3.721 764 3HB ALA 101 1HB ALA 101 -37.742 -3.482 -3.482 765 H LYS 102 HN LYS 102 -35.473 -2.012 -2.012 766 HA LYS 102 HA LYS 102 -32.954 -0.703 -0.703 767 1HB LYS 102 2HB LYS 102 -34.097 -0.123 -0.123 768 2HB LYS 102 1HB LYS 102 -34.005 -1.798 -1.798 769 1HG LYS 102 2HG LYS 102 -31.440 -1.463 -1.463 770 2HG LYS 102 1HG LYS 102 -31.848 0.249 0.249 771 1HD LYS 102 2HD LYS 102 -33.118 -1.416 -1.416 772 2HD LYS 102 1HD LYS 102 -31.354 -1.449 -1.449 773 1HE LYS 102 2HE LYS 102 -31.624 0.409 0.409 774 2HE LYS 102 1HE LYS 102 -31.774 1.193 1.193 775 1HZ LYS 102 1HZ LYS 102 -34.033 0.231 0.231 776 2HZ LYS 102 3HZ LYS 102 -33.559 1.845 1.845 777 3HZ LYS 102 2HZ LYS 102 -34.176 0.989 0.989 778 H GLN 103 HN GLN 103 -32.507 -2.517 -2.517 779 HA GLN 103 HA GLN 103 -30.461 -4.136 -4.136 780 1HB GLN 103 2HB GLN 103 -32.882 -5.206 -5.206 781 2HB GLN 103 1HB GLN 103 -32.542 -6.058 -6.058 782 1HG GLN 103 2HG GLN 103 -30.320 -6.674 -6.674 783 2HG GLN 103 1HG GLN 103 -30.813 -5.952 -5.952 784 1HE2 GLN 103 2HE2 GLN 103 -32.354 -8.826 -8.826 785 2HE2 GLN 103 1HE2 GLN 103 -31.565 -7.328 -7.328 786 H PHE 104 HN PHE 104 -29.358 -5.215 -5.215 787 HA PHE 104 HA PHE 104 -29.832 -4.252 -4.252 788 1HB PHE 104 2HB PHE 104 -27.566 -4.698 -4.698 789 2HB PHE 104 1HB PHE 104 -27.945 -6.410 -6.410 790 HD1 PHE 104 2HD PHE 104 -28.639 -7.638 -7.638 791 HD2 PHE 104 1HD PHE 104 -26.660 -3.870 -3.870 792 HE1 PHE 104 2HE PHE 104 -27.905 -8.004 -8.004 793 HE2 PHE 104 1HE PHE 104 -25.922 -4.230 -4.230 794 HZ PHE 104 HZ PHE 104 -26.545 -6.299 -6.299 795 H ARG 105 HN ARG 105 -31.295 -5.000 -5.000 796 HA ARG 105 HA ARG 105 -32.219 -7.771 -7.771 797 1HB ARG 105 2HB ARG 105 -33.655 -5.464 -5.464 798 2HB ARG 105 1HB ARG 105 -33.601 -5.992 -5.992 799 1HG ARG 105 2HG ARG 105 -35.382 -7.228 -7.228 800 2HG ARG 105 1HG ARG 105 -34.248 -8.299 -8.299 801 1HD ARG 105 2HD ARG 105 -34.588 -6.755 -6.755 802 2HD ARG 105 1HD ARG 105 -36.004 -6.162 -6.162 803 HE ARG 105 HE ARG 105 -36.065 -8.977 -8.977 804 1HH1 ARG 105 1HH2 ARG 105 -36.443 -6.187 -6.187 805 2HH1 ARG 105 2HH2 ARG 105 -37.522 -6.981 -6.981 806 1HH2 ARG 105 1HH1 ARG 105 -37.483 -10.032 -10.032 807 2HH2 ARG 105 2HH1 ARG 105 -38.112 -9.168 -9.168 808 H ARG 106 HN ARG 106 -32.526 -9.069 -9.069 809 HA ARG 106 HA ARG 106 -30.366 -8.744 -8.744 810 1HB ARG 106 2HB ARG 106 -30.857 -10.948 -10.948 811 2HB ARG 106 1HB ARG 106 -32.448 -10.925 -10.925 812 1HG ARG 106 2HG ARG 106 -30.781 -12.309 -12.309 813 2HG ARG 106 1HG ARG 106 -31.498 -11.032 -11.032 814 1HD ARG 106 2HD ARG 106 -29.522 -9.638 -9.638 815 2HD ARG 106 1HD ARG 106 -28.808 -10.915 -10.915 816 HE ARG 106 HE ARG 106 -29.498 -11.818 -11.818 817 1HH1 ARG 106 1HH2 ARG 106 -27.097 -10.100 -10.100 818 2HH1 ARG 106 2HH2 ARG 106 -25.805 -10.468 -10.468 819 1HH2 ARG 106 1HH1 ARG 106 -27.805 -12.309 -12.309 820 2HH2 ARG 106 2HH1 ARG 106 -26.208 -11.724 -11.724 821 H GLU 107 HN GLU 107 -33.799 -8.285 -8.285 822 HA GLU 107 HA GLU 107 -34.338 -8.399 -8.399 823 1HB GLU 107 2HB GLU 107 -35.801 -7.935 -7.935 824 2HB GLU 107 1HB GLU 107 -36.034 -6.503 -6.503 825 1HG GLU 107 2HG GLU 107 -36.575 -8.138 -8.138 826 2HG GLU 107 1HG GLU 107 -36.729 -9.347 -9.347 827 H TRP 108 HN TRP 108 -32.833 -6.010 -6.010 828 HA TRP 108 HA TRP 108 -33.364 -3.689 -3.689 829 1HB TRP 108 2HB TRP 108 -31.013 -4.511 -4.511 830 2HB TRP 108 1HB TRP 108 -31.120 -2.919 -2.919 831 HD1 TRP 108 1HD TRP 108 -34.539 -3.553 -3.553 832 HE1 TRP 108 1HE TRP 108 -35.199 -2.598 -2.598 833 HE3 TRP 108 3HE TRP 108 -29.868 -2.788 -2.788 834 HZ2 TRP 108 2HZ TRP 108 -33.911 -1.646 -1.646 835 HZ3 TRP 108 3HZ TRP 108 -29.671 -1.852 -1.852 836 HH2 TRP 108 2HH TRP 108 -31.651 -1.293 -1.293 837 H PHE 109 HN PHE 109 -31.502 -6.429 -6.429 838 HA PHE 109 HA PHE 109 -30.387 -4.947 -4.947 839 1HB PHE 109 2HB PHE 109 -29.090 -7.338 -7.338 840 2HB PHE 109 1HB PHE 109 -28.415 -6.329 -6.329 841 HD1 PHE 109 1HD PHE 109 -29.746 -6.015 -6.015 842 HD2 PHE 109 2HD PHE 109 -26.896 -4.714 -4.714 843 HE1 PHE 109 1HE PHE 109 -28.686 -4.588 -4.588 844 HE2 PHE 109 2HE PHE 109 -25.830 -3.284 -3.284 845 HZ PHE 109 HZ PHE 109 -26.726 -3.220 -3.220 846 H GLN 110 HN GLN 110 -32.914 -6.192 -6.192 847 HA GLN 110 HA GLN 110 -32.458 -8.497 -8.497 848 1HB GLN 110 2HB GLN 110 -34.601 -7.947 -7.947 849 2HB GLN 110 1HB GLN 110 -34.934 -9.000 -9.000 850 1HG GLN 110 2HG GLN 110 -32.455 -9.617 -9.617 851 2HG GLN 110 1HG GLN 110 -33.924 -9.809 -9.809 852 1HE2 GLN 110 2HE2 GLN 110 -33.811 -13.065 -13.065 853 2HE2 GLN 110 1HE2 GLN 110 -33.385 -12.070 -12.070 854 H GLY 111 HN GLY 111 -32.424 -5.758 -5.758 855 1HA GLY 111 2HA GLY 111 -34.639 -5.891 -5.891 856 2HA GLY 111 1HA GLY 111 -34.450 -4.421 -4.421 857 H ASP 112 HN ASP 112 -34.394 -4.035 -4.035 858 HA ASP 112 HA ASP 112 -31.608 -4.084 -4.084 859 1HB ASP 112 2HB ASP 112 -34.243 -3.953 -3.953 860 2HB ASP 112 1HB ASP 112 -32.965 -2.997 -2.997 861 H GLY 113 HN GLY 113 -30.428 -2.253 -2.253 862 1HA GLY 113 2HA GLY 113 -29.936 0.013 0.013 863 2HA GLY 113 1HA GLY 113 -31.646 0.361 0.361 864 H MET 114 HN MET 114 -29.980 1.977 1.977 865 HA MET 114 HA MET 114 -29.469 2.829 2.829 866 1HB MET 114 2HB MET 114 -31.972 1.581 1.581 867 2HB MET 114 1HB MET 114 -31.063 1.075 1.075 868 1HG MET 114 2HG MET 114 -30.521 3.549 3.549 869 2HG MET 114 1HG MET 114 -31.803 3.849 3.849 870 1HE MET 114 1HE MET 114 -33.005 5.228 5.228 871 2HE MET 114 3HE MET 114 -34.353 4.700 4.700 872 3HE MET 114 2HE MET 114 -32.844 5.221 5.221 873 H VAL 115 HN VAL 115 -28.532 2.326 2.326 874 HA VAL 115 HA VAL 115 -27.219 1.111 1.111 875 HB VAL 115 HB VAL 115 -27.308 -1.252 -1.252 876 1HG1 VAL 115 3HG1 VAL 115 -26.413 -0.725 -0.725 877 2HG1 VAL 115 2HG1 VAL 115 -27.260 -2.249 -2.249 878 3HG1 VAL 115 1HG1 VAL 115 -25.807 -1.874 -1.874 879 1HG2 VAL 115 1HG2 VAL 115 -29.512 -0.068 -0.068 880 2HG2 VAL 115 3HG2 VAL 115 -29.482 -1.510 -1.510 881 3HG2 VAL 115 2HG2 VAL 115 -29.144 -1.640 -1.640 882 H ARG 116 HN ARG 116 -25.092 1.396 1.396 883 HA ARG 116 HA ARG 116 -23.527 1.476 1.476 884 1HB ARG 116 2HB ARG 116 -23.796 3.495 3.495 885 2HB ARG 116 1HB ARG 116 -22.539 2.650 2.650 886 1HG ARG 116 2HG ARG 116 -21.213 3.961 3.961 887 2HG ARG 116 1HG ARG 116 -21.408 2.625 2.625 888 1HD ARG 116 2HD ARG 116 -23.365 3.870 3.870 889 2HD ARG 116 1HD ARG 116 -22.900 5.240 5.240 890 HE ARG 116 HE ARG 116 -20.628 4.606 4.606 891 1HH1 ARG 116 1HH2 ARG 116 -23.899 5.387 5.387 892 2HH1 ARG 116 2HH2 ARG 116 -23.449 6.107 6.107 893 1HH2 ARG 116 1HH1 ARG 116 -20.023 5.551 5.551 894 2HH2 ARG 116 2HH1 ARG 116 -21.245 6.199 6.199 895 H ARG 117 HN ARG 117 -21.566 0.405 0.405 896 HA ARG 117 HA ARG 117 -20.809 -1.317 -1.317 897 1HB ARG 117 2HB ARG 117 -22.154 -2.603 -2.603 898 2HB ARG 117 1HB ARG 117 -20.923 -2.246 -2.246 899 1HG ARG 117 2HG ARG 117 -19.295 -3.336 -3.336 900 2HG ARG 117 1HG ARG 117 -20.757 -4.018 -4.018 901 1HD ARG 117 2HD ARG 117 -20.443 -4.247 -4.247 902 2HD ARG 117 1HD ARG 117 -19.393 -5.246 -5.246 903 HE ARG 117 HE ARG 117 -21.978 -5.552 -5.552 904 1HH1 ARG 117 1HH2 ARG 117 -20.211 -6.197 -6.197 905 2HH1 ARG 117 2HH2 ARG 117 -21.183 -7.560 -7.560 906 1HH2 ARG 117 1HH1 ARG 117 -23.267 -7.346 -7.346 907 2HH2 ARG 117 2HH1 ARG 117 -22.922 -8.214 -8.214 908 H LYS 118 HN LYS 118 -18.914 -0.420 -0.420 909 HA LYS 118 HA LYS 118 -16.943 0.090 0.090 910 1HB LYS 118 2HB LYS 118 -15.858 1.640 1.640 911 2HB LYS 118 1HB LYS 118 -17.562 2.053 2.053 912 1HG LYS 118 2HG LYS 118 -17.769 0.556 0.556 913 2HG LYS 118 1HG LYS 118 -16.051 0.928 0.928 914 1HD LYS 118 2HD LYS 118 -17.770 3.232 3.232 915 2HD LYS 118 1HD LYS 118 -18.059 2.481 2.481 916 1HE LYS 118 2HE LYS 118 -16.240 3.446 3.446 917 2HE LYS 118 1HE LYS 118 -15.246 2.698 2.698 918 1HZ LYS 118 3HZ LYS 118 -16.798 5.166 5.166 919 2HZ LYS 118 2HZ LYS 118 -15.227 5.208 5.208 920 3HZ LYS 118 1HZ LYS 118 -15.513 4.536 4.536 921 H ASN 119 HN ASN 119 -15.110 -1.065 -1.065 922 HA ASN 119 HA ASN 119 -14.716 -3.058 -3.058 923 1HB ASN 119 2HB ASN 119 -13.229 -3.016 -3.016 924 2HB ASN 119 1HB ASN 119 -13.583 -4.388 -4.388 925 1HD2 ASN 119 2HD2 ASN 119 -16.288 -3.094 -3.094 926 2HD2 ASN 119 1HD2 ASN 119 -14.909 -2.144 -2.144 927 H LEU 120 HN LEU 120 -12.804 -3.297 -3.297 928 HA LEU 120 HA LEU 120 -10.854 -1.111 -1.111 929 1HB LEU 120 2HB LEU 120 -11.767 -2.572 -2.572 930 2HB LEU 120 1HB LEU 120 -10.334 -1.562 -1.562 931 HG LEU 120 HG LEU 120 -13.160 -0.635 -0.635 932 1HD1 LEU 120 3HD1 LEU 120 -11.304 -0.244 -0.244 933 2HD1 LEU 120 2HD1 LEU 120 -12.809 0.642 0.642 934 3HD1 LEU 120 1HD1 LEU 120 -12.842 -1.106 -1.106 935 1HD2 LEU 120 1HD2 LEU 120 -10.544 0.862 0.862 936 2HD2 LEU 120 3HD2 LEU 120 -11.637 0.654 0.654 937 3HD2 LEU 120 2HD2 LEU 120 -12.133 1.627 1.627 938 HA PRO 121 HA PRO 121 -8.509 -4.806 -4.806 939 1HB PRO 121 2HB PRO 121 -6.570 -2.595 -2.595 940 2HB PRO 121 1HB PRO 121 -7.037 -3.933 -3.933 941 1HG PRO 121 2HG PRO 121 -7.944 -1.471 -1.471 942 2HG PRO 121 1HG PRO 121 -8.988 -2.885 -2.885 943 1HD PRO 121 2HD PRO 121 -8.965 -0.900 -0.900 944 2HD PRO 121 1HD PRO 121 -10.337 -1.734 -1.734 945 H ILE 122 HN ILE 122 -7.073 -5.996 -5.996 946 HA ILE 122 HA ILE 122 -5.696 -4.705 -4.705 947 HB ILE 122 HB ILE 122 -6.276 -7.648 -7.648 948 1HG1 ILE 122 2HG1 ILE 122 -8.436 -6.558 -6.558 949 2HG1 ILE 122 1HG1 ILE 122 -8.323 -7.229 -7.229 950 1HG2 ILE 122 2HG2 ILE 122 -5.655 -5.668 -5.668 951 2HG2 ILE 122 1HG2 ILE 122 -6.269 -7.287 -7.287 952 3HG2 ILE 122 3HG2 ILE 122 -4.725 -7.084 -7.084 953 1HD1 ILE 122 3HD1 ILE 122 -7.801 -5.000 -5.000 954 2HD1 ILE 122 2HD1 ILE 122 -7.956 -4.341 -4.341 955 3HD1 ILE 122 1HD1 ILE 122 -9.358 -5.046 -5.046 956 H GLU 123 HN GLU 123 -3.607 -4.433 -4.433 957 HA GLU 123 HA GLU 123 -2.218 -6.526 -6.526 958 1HB GLU 123 2HB GLU 123 -2.139 -3.601 -3.601 959 2HB GLU 123 1HB GLU 123 -0.545 -4.340 -4.340 960 1HG GLU 123 2HG GLU 123 -1.137 -4.033 -4.033 961 2HG GLU 123 1HG GLU 123 -1.181 -5.759 -5.759 962 H TYR 124 HN TYR 124 -0.662 -7.648 -7.648 963 HA TYR 124 HA TYR 124 0.082 -6.950 -6.950 964 1HB TYR 124 2HB TYR 124 0.842 -9.378 -9.378 965 2HB TYR 124 1HB TYR 124 1.084 -9.171 -9.171 966 HD1 TYR 124 2HD TYR 124 -1.702 -7.792 -7.792 967 HD2 TYR 124 1HD TYR 124 -0.442 -11.409 -11.409 968 HE1 TYR 124 2HE TYR 124 -3.915 -8.776 -8.776 969 HE2 TYR 124 1HE TYR 124 -2.652 -12.402 -12.402 970 HH TYR 124 HH TYR 124 -4.567 -11.932 -11.932 971 H ASN 125 HN ASN 125 1.669 -5.496 -5.496 972 HA ASN 125 HA ASN 125 3.785 -5.320 -5.320 973 1HB ASN 125 2HB ASN 125 2.706 -3.638 -3.638 974 2HB ASN 125 1HB ASN 125 4.465 -3.695 -3.695 975 1HD2 ASN 125 2HD2 ASN 125 3.632 -0.906 -0.906 976 2HD2 ASN 125 1HD2 ASN 125 3.475 -1.333 -1.333 977 H LEU 126 HN LEU 126 4.571 -7.504 -7.504 978 HA LEU 126 HA LEU 126 5.655 -8.415 -8.415 979 1HB LEU 126 2HB LEU 126 6.616 -9.058 -9.058 980 2HB LEU 126 1HB LEU 126 6.907 -10.011 -10.011 981 HG LEU 126 HG LEU 126 4.253 -9.572 -9.572 982 1HD1 LEU 126 2HD1 LEU 126 5.982 -11.212 -11.212 983 2HD1 LEU 126 1HD1 LEU 126 5.650 -12.177 -12.177 984 3HD1 LEU 126 3HD1 LEU 126 4.351 -11.815 -11.815 985 1HD2 LEU 126 1HD2 LEU 126 4.883 -11.080 -11.080 986 2HD2 LEU 126 3HD2 LEU 126 3.943 -9.592 -9.592 987 3HD2 LEU 126 2HD2 LEU 126 3.333 -11.083 -11.083 988 1H ALA 1 3HN ALA 1 41.212 -12.844 -12.844 989 2H ALA 1 2HN ALA 1 41.612 -12.670 -12.670 990 3H ALA 1 1HN ALA 1 42.374 -11.679 -11.679 991 HA ALA 1 HA ALA 1 40.509 -10.458 -10.458 992 1HB ALA 1 3HB ALA 1 41.639 -10.362 -10.362 993 2HB ALA 1 2HB ALA 1 40.060 -10.941 -10.941 994 3HB ALA 1 1HB ALA 1 40.189 -9.423 -9.423 995 H GLN 2 HN GLN 2 39.308 -12.255 -12.255 996 HA GLN 2 HA GLN 2 36.874 -12.955 -12.955 997 1HB GLN 2 2HB GLN 2 38.165 -14.456 -14.456 998 2HB GLN 2 1HB GLN 2 36.631 -14.881 -14.881 999 1HG GLN 2 2HG GLN 2 38.062 -14.921 -14.921 1000 2HG GLN 2 1HG GLN 2 39.397 -15.145 -15.145 1001 1HE2 GLN 2 2HE2 GLN 2 38.286 -18.486 -18.486 1002 2HE2 GLN 2 1HE2 GLN 2 39.024 -17.115 -17.115 1003 H SER 3 HN SER 3 36.045 -10.860 -10.860 1004 HA SER 3 HA SER 3 35.347 -10.637 -10.637 1005 1HB SER 3 2HB SER 3 36.051 -8.720 -8.720 1006 2HB SER 3 1HB SER 3 34.504 -8.310 -8.310 1007 HG SER 3 HG SER 3 36.815 -7.761 -7.761 1008 H VAL 4 HN VAL 4 33.127 -9.498 -9.498 1009 HA VAL 4 HA VAL 4 31.146 -10.542 -10.542 1010 HB VAL 4 HB VAL 4 29.738 -11.136 -11.136 1011 1HG1 VAL 4 2HG1 VAL 4 31.998 -12.703 -12.703 1012 2HG1 VAL 4 1HG1 VAL 4 31.039 -13.389 -13.389 1013 3HG1 VAL 4 3HG1 VAL 4 30.260 -12.922 -12.922 1014 1HG2 VAL 4 3HG2 VAL 4 31.442 -10.082 -10.082 1015 2HG2 VAL 4 2HG2 VAL 4 30.885 -11.696 -11.696 1016 3HG2 VAL 4 1HG2 VAL 4 32.462 -11.484 -11.484 1017 HA PRO 5 HA PRO 5 29.577 -6.382 -6.382 1018 1HB PRO 5 2HB PRO 5 27.024 -7.655 -7.655 1019 2HB PRO 5 1HB PRO 5 27.874 -6.273 -6.273 1020 1HG PRO 5 2HG PRO 5 27.895 -8.637 -8.637 1021 2HG PRO 5 1HG PRO 5 29.342 -7.613 -7.613 1022 1HD PRO 5 2HD PRO 5 28.715 -10.051 -10.051 1023 2HD PRO 5 1HD PRO 5 30.256 -9.538 -9.538 1024 HA PRO 6 HA PRO 6 27.361 -5.898 -5.898 1025 1HB PRO 6 2HB PRO 6 25.113 -4.601 -4.601 1026 2HB PRO 6 1HB PRO 6 26.055 -4.008 -4.008 1027 1HG PRO 6 2HG PRO 6 26.458 -3.034 -3.034 1028 2HG PRO 6 1HG PRO 6 27.817 -3.316 -3.316 1029 1HD PRO 6 2HD PRO 6 26.924 -4.916 -4.916 1030 2HD PRO 6 1HD PRO 6 28.569 -4.577 -4.577 1031 H GLY 7 HN GLY 7 26.454 -7.600 -7.600 1032 1HA GLY 7 2HA GLY 7 24.726 -9.430 -9.430 1033 2HA GLY 7 1HA GLY 7 25.021 -9.337 -9.337 1034 H ASP 8 HN ASP 8 22.587 -9.498 -9.498 1035 HA ASP 8 HA ASP 8 20.923 -7.338 -7.338 1036 1HB ASP 8 2HB ASP 8 20.462 -10.273 -10.273 1037 2HB ASP 8 1HB ASP 8 19.086 -9.255 -9.255 1038 H ILE 9 HN ILE 9 20.416 -6.207 -6.207 1039 HA ILE 9 HA ILE 9 20.404 -7.434 -7.434 1040 HB ILE 9 HB ILE 9 19.914 -5.144 -5.144 1041 1HG1 ILE 9 2HG1 ILE 9 20.553 -3.797 -3.797 1042 2HG1 ILE 9 1HG1 ILE 9 19.054 -4.711 -4.711 1043 1HG2 ILE 9 3HG2 ILE 9 22.269 -5.585 -5.585 1044 2HG2 ILE 9 2HG2 ILE 9 22.106 -4.148 -4.148 1045 3HG2 ILE 9 1HG2 ILE 9 22.188 -5.744 -5.744 1046 1HD1 ILE 9 3HD1 ILE 9 18.985 -3.335 -3.335 1047 2HD1 ILE 9 2HD1 ILE 9 19.519 -2.191 -2.191 1048 3HD1 ILE 9 1HD1 ILE 9 18.000 -3.064 -3.064 1049 H ASN 10 HN ASN 10 18.659 -8.220 -8.220 1050 HA ASN 10 HA ASN 10 16.108 -8.196 -8.196 1051 1HB ASN 10 2HB ASN 10 17.285 -9.301 -9.301 1052 2HB ASN 10 1HB ASN 10 15.556 -8.981 -8.981 1053 1HD2 ASN 10 2HD2 ASN 10 16.475 -12.416 -12.416 1054 2HD2 ASN 10 1HD2 ASN 10 17.145 -11.495 -11.495 1055 H THR 11 HN THR 11 14.313 -6.995 -6.995 1056 HA THR 11 HA THR 11 14.409 -4.974 -4.974 1057 HB THR 11 HB THR 11 13.189 -3.521 -3.521 1058 HG1 THR 11 1HG THR 11 14.321 -3.860 -3.860 1059 1HG2 THR 11 3HG2 THR 11 15.390 -3.098 -3.098 1060 2HG2 THR 11 2HG2 THR 11 16.158 -3.621 -3.621 1061 3HG2 THR 11 1HG2 THR 11 15.073 -2.229 -2.229 1062 H GLN 12 HN GLN 12 12.352 -4.189 -4.189 1063 HA GLN 12 HA GLN 12 9.999 -5.589 -5.589 1064 1HB GLN 12 2HB GLN 12 11.282 -6.093 -6.093 1065 2HB GLN 12 1HB GLN 12 9.571 -5.711 -5.711 1066 1HG GLN 12 2HG GLN 12 9.063 -7.778 -7.778 1067 2HG GLN 12 1HG GLN 12 9.875 -7.552 -7.552 1068 1HE2 GLN 12 2HE2 GLN 12 11.485 -9.860 -9.860 1069 2HE2 GLN 12 1HE2 GLN 12 9.967 -9.056 -9.056 1070 HA PRO 13 HA PRO 13 8.265 -4.839 -4.839 1071 1HB PRO 13 2HB PRO 13 8.106 -2.767 -2.767 1072 2HB PRO 13 1HB PRO 13 6.788 -3.272 -3.272 1073 1HG PRO 13 2HG PRO 13 8.738 -1.030 -1.030 1074 2HG PRO 13 1HG PRO 13 6.998 -1.063 -1.063 1075 1HD PRO 13 2HD PRO 13 8.807 -1.263 -1.263 1076 2HD PRO 13 1HD PRO 13 7.285 -2.177 -2.177 1077 H SER 14 HN SER 14 9.232 -5.457 -5.457 1078 HA SER 14 HA SER 14 12.044 -4.626 -4.626 1079 1HB SER 14 2HB SER 14 11.573 -7.023 -7.023 1080 2HB SER 14 1HB SER 14 12.540 -6.805 -6.805 1081 HG SER 14 HG SER 14 10.600 -8.312 -8.312 1082 H GLN 15 HN GLN 15 9.059 -4.392 -4.392 1083 HA GLN 15 HA GLN 15 10.405 -3.871 -3.871 1084 1HB GLN 15 2HB GLN 15 7.692 -5.011 -5.011 1085 2HB GLN 15 1HB GLN 15 8.021 -4.241 -4.241 1086 1HG GLN 15 2HG GLN 15 9.848 -6.380 -6.380 1087 2HG GLN 15 1HG GLN 15 8.284 -6.819 -6.819 1088 1HE2 GLN 15 2HE2 GLN 15 9.100 -5.728 -5.728 1089 2HE2 GLN 15 1HE2 GLN 15 7.802 -5.837 -5.837 1090 H LYS 16 HN LYS 16 7.400 -2.999 -2.999 1091 HA LYS 16 HA LYS 16 7.993 -0.174 -0.174 1092 1HB LYS 16 2HB LYS 16 5.436 -1.520 -1.520 1093 2HB LYS 16 1HB LYS 16 5.677 0.221 0.221 1094 1HG LYS 16 2HG LYS 16 6.793 0.243 0.243 1095 2HG LYS 16 1HG LYS 16 7.739 -1.185 -1.185 1096 1HD LYS 16 2HD LYS 16 5.702 -2.564 -2.564 1097 2HD LYS 16 1HD LYS 16 4.951 -1.097 -1.097 1098 1HE LYS 16 2HE LYS 16 7.626 -2.014 -2.014 1099 2HE LYS 16 1HE LYS 16 6.137 -2.698 -2.698 1100 1HZ LYS 16 3HZ LYS 16 5.514 -0.197 -0.197 1101 2HZ LYS 16 2HZ LYS 16 7.189 0.031 0.031 1102 3HZ LYS 16 1HZ LYS 16 6.494 -0.962 -0.962 1103 H ILE 17 HN ILE 17 6.138 1.188 1.188 1104 HA ILE 17 HA ILE 17 4.976 -0.059 -0.059 1105 HB ILE 17 HB ILE 17 7.190 0.661 0.661 1106 1HG1 ILE 17 2HG1 ILE 17 5.084 2.542 2.542 1107 2HG1 ILE 17 1HG1 ILE 17 5.110 0.820 0.820 1108 1HG2 ILE 17 3HG2 ILE 17 7.391 2.505 2.505 1109 2HG2 ILE 17 2HG2 ILE 17 6.366 3.479 3.479 1110 3HG2 ILE 17 1HG2 ILE 17 7.932 2.908 2.908 1111 1HD1 ILE 17 1HD1 ILE 17 7.687 1.950 1.950 1112 2HD1 ILE 17 3HD1 ILE 17 6.444 2.889 2.889 1113 3HD1 ILE 17 2HD1 ILE 17 6.575 1.154 1.154 1114 H VAL 18 HN VAL 18 2.956 0.653 0.653 1115 HA VAL 18 HA VAL 18 2.282 3.278 3.278 1116 HB VAL 18 HB VAL 18 0.430 0.929 0.929 1117 1HG1 VAL 18 1HG1 VAL 18 -0.298 3.504 3.504 1118 2HG1 VAL 18 3HG1 VAL 18 -0.231 3.150 3.150 1119 3HG1 VAL 18 2HG1 VAL 18 -1.276 2.198 2.198 1120 1HG2 VAL 18 2HG2 VAL 18 1.994 1.858 1.858 1121 2HG2 VAL 18 1HG2 VAL 18 1.827 0.230 0.230 1122 3HG2 VAL 18 3HG2 VAL 18 0.477 0.980 0.980 1123 H PHE 19 HN PHE 19 1.852 4.802 4.802 1124 HA PHE 19 HA PHE 19 1.321 4.185 4.185 1125 1HB PHE 19 2HB PHE 19 1.536 6.747 6.747 1126 2HB PHE 19 1HB PHE 19 1.029 6.741 6.741 1127 HD1 PHE 19 1HD PHE 19 3.787 5.758 5.758 1128 HD2 PHE 19 2HD PHE 19 2.605 6.637 6.637 1129 HE1 PHE 19 1HE PHE 19 6.146 5.735 5.735 1130 HE2 PHE 19 2HE PHE 19 4.962 6.618 6.618 1131 HZ PHE 19 HZ PHE 19 6.737 6.165 6.165 1132 H ASN 20 HN ASN 20 -0.636 3.176 3.176 1133 HA ASN 20 HA ASN 20 -2.993 4.011 4.011 1134 1HB ASN 20 2HB ASN 20 -2.618 2.243 2.243 1135 2HB ASN 20 1HB ASN 20 -4.146 2.458 2.458 1136 1HD2 ASN 20 2HD2 ASN 20 -1.290 -0.013 -0.013 1137 2HD2 ASN 20 1HD2 ASN 20 -1.058 0.954 0.954 1138 H ALA 21 HN ALA 21 -4.503 5.442 5.442 1139 HA ALA 21 HA ALA 21 -4.095 7.443 7.443 1140 1HB ALA 21 2HB ALA 21 -5.860 6.969 6.969 1141 2HB ALA 21 1HB ALA 21 -6.894 7.073 7.073 1142 3HB ALA 21 3HB ALA 21 -5.808 8.403 8.403 1143 HA PRO 22 HA PRO 22 -5.999 8.768 8.768 1144 1HB PRO 22 2HB PRO 22 -6.800 9.903 9.903 1145 2HB PRO 22 1HB PRO 22 -7.897 8.864 8.864 1146 1HG PRO 22 2HG PRO 22 -6.357 8.269 8.269 1147 2HG PRO 22 1HG PRO 22 -7.993 7.764 7.764 1148 1HD PRO 22 2HD PRO 22 -5.665 6.224 6.224 1149 2HD PRO 22 1HD PRO 22 -7.220 5.897 5.897 1150 H TYR 23 HN TYR 23 -4.853 10.723 10.723 1151 HA TYR 23 HA TYR 23 -2.309 10.261 10.261 1152 1HB TYR 23 2HB TYR 23 -3.193 12.286 12.286 1153 2HB TYR 23 1HB TYR 23 -1.649 12.403 12.403 1154 HD1 TYR 23 2HD TYR 23 -0.511 9.851 9.851 1155 HD2 TYR 23 1HD TYR 23 -2.946 11.511 11.511 1156 HE1 TYR 23 2HE TYR 23 0.495 8.308 8.308 1157 HE2 TYR 23 1HE TYR 23 -1.948 9.971 9.971 1158 HH TYR 23 HH TYR 23 -0.721 8.029 8.029 1159 H ASP 24 HN ASP 24 -4.348 10.589 10.589 1160 HA ASP 24 HA ASP 24 -3.764 13.233 13.233 1161 1HB ASP 24 2HB ASP 24 -6.110 12.932 12.932 1162 2HB ASP 24 1HB ASP 24 -6.465 11.977 11.977 1163 H ASP 25 HN ASP 25 -3.196 10.114 10.114 1164 HA ASP 25 HA ASP 25 -3.514 10.251 10.251 1165 1HB ASP 25 2HB ASP 25 -4.756 8.431 8.431 1166 2HB ASP 25 1HB ASP 25 -3.317 7.552 7.552 1167 H LYS 26 HN LYS 26 -1.301 10.183 10.183 1168 HA LYS 26 HA LYS 26 0.955 9.919 9.919 1169 1HB LYS 26 2HB LYS 26 0.358 10.594 10.594 1170 2HB LYS 26 1HB LYS 26 1.673 9.427 9.427 1171 1HG LYS 26 2HG LYS 26 3.072 10.840 10.840 1172 2HG LYS 26 1HG LYS 26 1.735 11.842 11.842 1173 1HD LYS 26 2HD LYS 26 2.967 13.043 13.043 1174 2HD LYS 26 1HD LYS 26 1.381 12.606 12.606 1175 1HE LYS 26 2HE LYS 26 3.451 10.600 10.600 1176 2HE LYS 26 1HE LYS 26 3.781 12.159 12.159 1177 1HZ LYS 26 2HZ LYS 26 1.163 10.811 10.811 1178 2HZ LYS 26 1HZ LYS 26 2.449 10.491 10.491 1179 3HZ LYS 26 3HZ LYS 26 1.811 12.055 12.055 1180 H HIS 27 HN HIS 27 2.227 8.210 8.210 1181 HA HIS 27 HA HIS 27 2.019 5.740 5.740 1182 1HB HIS 27 2HB HIS 27 1.636 4.470 4.470 1183 2HB HIS 27 1HB HIS 27 0.248 5.231 5.231 1184 HD1 HIS 27 1HD HIS 27 -0.831 5.190 5.190 1185 HD2 HIS 27 2HD HIS 27 2.448 7.684 7.684 1186 HE1 HIS 27 1HE HIS 27 -0.824 6.778 6.778 1187 H THR 28 HN THR 28 4.155 5.654 5.654 1188 HA THR 28 HA THR 28 6.165 6.292 6.292 1189 HB THR 28 HB THR 28 6.540 4.812 4.812 1190 HG1 THR 28 1HG THR 28 5.743 6.597 6.597 1191 1HG2 THR 28 2HG2 THR 28 8.466 5.022 5.022 1192 2HG2 THR 28 1HG2 THR 28 8.448 6.740 6.740 1193 3HG2 THR 28 3HG2 THR 28 8.746 5.547 5.547 1194 H TYR 29 HN TYR 29 6.261 4.987 4.987 1195 HA TYR 29 HA TYR 29 5.796 2.170 2.170 1196 1HB TYR 29 2HB TYR 29 6.702 4.054 4.054 1197 2HB TYR 29 1HB TYR 29 6.774 2.313 2.313 1198 HD1 TYR 29 1HD TYR 29 4.450 5.086 5.086 1199 HD2 TYR 29 2HD TYR 29 4.857 1.119 1.119 1200 HE1 TYR 29 1HE TYR 29 2.074 5.085 5.085 1201 HE2 TYR 29 2HE TYR 29 2.483 1.108 1.108 1202 HH TYR 29 HH TYR 29 0.269 3.317 3.317 1203 H HIS 30 HN HIS 30 7.182 0.744 0.744 1204 HA HIS 30 HA HIS 30 10.028 1.380 1.380 1205 1HB HIS 30 2HB HIS 30 8.239 -0.468 -0.468 1206 2HB HIS 30 1HB HIS 30 9.915 -0.965 -0.965 1207 HD1 HIS 30 1HD HIS 30 7.859 1.820 1.820 1208 HD2 HIS 30 2HD HIS 30 11.721 0.291 0.291 1209 HE1 HIS 30 1HE HIS 30 9.061 3.015 3.015 1210 H ILE 31 HN ILE 31 11.367 0.639 0.639 1211 HA ILE 31 HA ILE 31 10.528 -1.644 -1.644 1212 HB ILE 31 HB ILE 31 12.662 0.416 0.416 1213 1HG1 ILE 31 2HG1 ILE 31 9.962 0.121 0.121 1214 2HG1 ILE 31 1HG1 ILE 31 10.261 1.231 1.231 1215 1HG2 ILE 31 1HG2 ILE 31 12.283 -2.139 -2.139 1216 2HG2 ILE 31 3HG2 ILE 31 11.668 -1.014 -1.014 1217 3HG2 ILE 31 2HG2 ILE 31 13.322 -0.855 -0.855 1218 1HD1 ILE 31 1HD1 ILE 31 11.941 1.341 1.341 1219 2HD1 ILE 31 3HD1 ILE 31 10.354 2.108 2.108 1220 3HD1 ILE 31 2HD1 ILE 31 11.607 2.604 2.604 1221 H LYS 32 HN LYS 32 11.549 -3.531 -3.531 1222 HA LYS 32 HA LYS 32 13.898 -3.703 -3.703 1223 1HB LYS 32 2HB LYS 32 12.106 -5.255 -5.255 1224 2HB LYS 32 1HB LYS 32 12.106 -5.828 -5.828 1225 1HG LYS 32 2HG LYS 32 13.204 -7.460 -7.460 1226 2HG LYS 32 1HG LYS 32 14.437 -6.647 -6.647 1227 1HD LYS 32 2HD LYS 32 15.546 -6.213 -6.213 1228 2HD LYS 32 1HD LYS 32 14.210 -5.176 -5.176 1229 1HE LYS 32 2HE LYS 32 14.867 -6.982 -6.982 1230 2HE LYS 32 1HE LYS 32 13.163 -6.945 -6.945 1231 1HZ LYS 32 1HZ LYS 32 14.929 -8.651 -8.651 1232 2HZ LYS 32 3HZ LYS 32 14.572 -9.162 -9.162 1233 3HZ LYS 32 2HZ LYS 32 13.321 -8.895 -8.895 1234 H ILE 33 HN ILE 33 15.890 -3.888 -3.888 1235 HA ILE 33 HA ILE 33 16.260 -4.765 -4.765 1236 HB ILE 33 HB ILE 33 18.135 -2.920 -2.920 1237 1HG1 ILE 33 2HG1 ILE 33 16.028 -2.054 -2.054 1238 2HG1 ILE 33 1HG1 ILE 33 15.781 -1.983 -1.983 1239 1HG2 ILE 33 1HG2 ILE 33 17.795 -3.794 -3.794 1240 2HG2 ILE 33 3HG2 ILE 33 18.683 -2.331 -2.331 1241 3HG2 ILE 33 2HG2 ILE 33 19.226 -3.897 -3.897 1242 1HD1 ILE 33 1HD1 ILE 33 18.026 -0.632 -0.632 1243 2HD1 ILE 33 3HD1 ILE 33 17.552 -0.349 -0.349 1244 3HD1 ILE 33 2HD1 ILE 33 16.483 0.144 0.144 1245 H THR 34 HN THR 34 18.286 -5.841 -5.841 1246 HA THR 34 HA THR 34 19.924 -6.792 -6.792 1247 HB THR 34 HB THR 34 18.005 -8.694 -8.694 1248 HG1 THR 34 1HG THR 34 16.952 -8.262 -8.262 1249 1HG2 THR 34 3HG2 THR 34 20.203 -9.753 -9.753 1250 2HG2 THR 34 2HG2 THR 34 20.263 -9.382 -9.382 1251 3HG2 THR 34 1HG2 THR 34 19.041 -10.493 -10.493 1252 H ASN 35 HN ASN 35 21.751 -7.979 -7.979 1253 HA ASN 35 HA ASN 35 22.383 -7.484 -7.484 1254 1HB ASN 35 2HB ASN 35 23.977 -6.618 -6.618 1255 2HB ASN 35 1HB ASN 35 24.160 -8.220 -8.220 1256 1HD2 ASN 35 2HD2 ASN 35 25.620 -7.760 -7.760 1257 2HD2 ASN 35 1HD2 ASN 35 24.078 -7.112 -7.112 1258 H ALA 36 HN ALA 36 21.865 -9.102 -9.102 1259 HA ALA 36 HA ALA 36 22.016 -11.861 -11.861 1260 1HB ALA 36 3HB ALA 36 20.138 -10.662 -10.662 1261 2HB ALA 36 2HB ALA 36 21.172 -11.259 -11.259 1262 3HB ALA 36 1HB ALA 36 20.493 -12.385 -12.385 1263 H GLY 37 HN GLY 37 24.389 -10.107 -10.107 1264 1HA GLY 37 2HA GLY 37 25.519 -11.628 -11.628 1265 2HA GLY 37 1HA GLY 37 26.167 -10.130 -10.130 1266 H GLY 38 HN GLY 38 28.241 -10.919 -10.919 1267 1HA GLY 38 2HA GLY 38 28.498 -13.032 -13.032 1268 2HA GLY 38 1HA GLY 38 29.647 -12.815 -12.815 1269 H ARG 39 HN ARG 39 29.436 -9.831 -9.831 1270 HA ARG 39 HA ARG 39 31.030 -9.599 -9.599 1271 1HB ARG 39 2HB ARG 39 32.436 -7.955 -7.955 1272 2HB ARG 39 1HB ARG 39 32.448 -9.470 -9.470 1273 1HG ARG 39 2HG ARG 39 30.370 -8.012 -8.012 1274 2HG ARG 39 1HG ARG 39 31.652 -6.832 -6.832 1275 1HD ARG 39 2HD ARG 39 32.814 -9.216 -9.216 1276 2HD ARG 39 1HD ARG 39 31.446 -8.769 -8.769 1277 HE ARG 39 HE ARG 39 33.164 -6.557 -6.557 1278 1HH1 ARG 39 1HH2 ARG 39 32.693 -9.301 -9.301 1279 2HH1 ARG 39 2HH2 ARG 39 33.615 -8.629 -8.629 1280 1HH2 ARG 39 1HH1 ARG 39 34.377 -5.660 -5.660 1281 2HH2 ARG 39 2HH1 ARG 39 34.573 -6.559 -6.559 1282 H ARG 40 HN ARG 40 31.181 -7.281 -7.281 1283 HA ARG 40 HA ARG 40 28.630 -6.291 -6.291 1284 1HB ARG 40 2HB ARG 40 29.870 -4.228 -4.228 1285 2HB ARG 40 1HB ARG 40 30.387 -5.746 -5.746 1286 1HG ARG 40 2HG ARG 40 32.321 -5.822 -5.822 1287 2HG ARG 40 1HG ARG 40 31.774 -4.390 -4.390 1288 1HD ARG 40 2HD ARG 40 33.557 -3.982 -3.982 1289 2HD ARG 40 1HD ARG 40 32.102 -3.001 -3.001 1290 HE ARG 40 HE ARG 40 31.645 -4.067 -4.067 1291 1HH1 ARG 40 1HH2 ARG 40 34.194 -5.752 -5.752 1292 2HH1 ARG 40 2HH2 ARG 40 34.588 -6.761 -6.761 1293 1HH2 ARG 40 1HH1 ARG 40 32.156 -5.394 -5.394 1294 2HH2 ARG 40 2HH1 ARG 40 33.429 -6.559 -6.559 1295 H ILE 41 HN ILE 41 27.790 -4.103 -4.103 1296 HA ILE 41 HA ILE 41 28.663 -3.020 -3.020 1297 HB ILE 41 HB ILE 41 26.347 -3.084 -3.084 1298 1HG1 ILE 41 2HG1 ILE 41 25.744 -5.315 -5.315 1299 2HG1 ILE 41 1HG1 ILE 41 25.439 -3.654 -3.654 1300 1HG2 ILE 41 2HG2 ILE 41 28.238 -4.729 -4.729 1301 2HG2 ILE 41 1HG2 ILE 41 27.334 -5.874 -5.874 1302 3HG2 ILE 41 3HG2 ILE 41 26.600 -5.191 -5.191 1303 1HD1 ILE 41 1HD1 ILE 41 24.306 -4.942 -4.942 1304 2HD1 ILE 41 3HD1 ILE 41 23.457 -4.773 -4.773 1305 3HD1 ILE 41 2HD1 ILE 41 23.928 -3.338 -3.338 1306 H GLY 42 HN GLY 42 28.267 -0.887 -0.887 1307 1HA GLY 42 2HA GLY 42 26.934 0.448 0.448 1308 2HA GLY 42 1HA GLY 42 28.072 1.200 1.200 1309 H TRP 43 HN TRP 43 24.839 0.841 0.841 1310 HA TRP 43 HA TRP 43 23.939 1.543 1.543 1311 1HB TRP 43 2HB TRP 43 21.675 0.978 0.978 1312 2HB TRP 43 1HB TRP 43 22.797 -0.369 -0.369 1313 HD1 TRP 43 1HD TRP 43 23.806 -0.763 -0.763 1314 HE1 TRP 43 1HE TRP 43 22.596 -0.482 -0.482 1315 HE3 TRP 43 3HE TRP 43 19.938 2.215 2.215 1316 HZ2 TRP 43 2HZ TRP 43 20.304 0.826 0.826 1317 HZ3 TRP 43 3HZ TRP 43 18.280 2.935 2.935 1318 HH2 TRP 43 2HH TRP 43 18.460 2.254 2.254 1319 H ALA 44 HN ALA 44 22.330 3.192 3.192 1320 HA ALA 44 HA ALA 44 22.087 5.163 5.163 1321 1HB ALA 44 2HB ALA 44 23.583 5.582 5.582 1322 2HB ALA 44 1HB ALA 44 22.608 6.915 6.915 1323 3HB ALA 44 3HB ALA 44 23.890 6.222 6.222 1324 H ILE 45 HN ILE 45 20.290 6.552 6.552 1325 HA ILE 45 HA ILE 45 18.452 5.787 5.787 1326 HB ILE 45 HB ILE 45 17.585 6.641 6.641 1327 1HG1 ILE 45 2HG1 ILE 45 18.875 4.500 4.500 1328 2HG1 ILE 45 1HG1 ILE 45 17.190 4.320 4.320 1329 1HG2 ILE 45 2HG2 ILE 45 16.229 5.847 5.847 1330 2HG2 ILE 45 1HG2 ILE 45 15.543 5.228 5.228 1331 3HG2 ILE 45 3HG2 ILE 45 15.719 6.966 6.966 1332 1HD1 ILE 45 3HD1 ILE 45 18.293 3.664 3.664 1333 2HD1 ILE 45 2HD1 ILE 45 17.952 2.499 2.499 1334 3HD1 ILE 45 1HD1 ILE 45 16.636 3.418 3.418 1335 H LYS 46 HN LYS 46 17.060 7.378 7.378 1336 HA LYS 46 HA LYS 46 17.347 10.122 10.122 1337 1HB LYS 46 2HB LYS 46 18.093 10.997 10.997 1338 2HB LYS 46 1HB LYS 46 19.244 9.790 9.790 1339 1HG LYS 46 2HG LYS 46 18.154 8.140 8.140 1340 2HG LYS 46 1HG LYS 46 17.141 9.442 9.442 1341 1HD LYS 46 2HD LYS 46 20.143 9.595 9.595 1342 2HD LYS 46 1HD LYS 46 19.230 8.855 8.855 1343 1HE LYS 46 2HE LYS 46 17.911 11.216 11.216 1344 2HE LYS 46 1HE LYS 46 19.567 11.681 11.681 1345 1HZ LYS 46 1HZ LYS 46 18.936 10.139 10.139 1346 2HZ LYS 46 3HZ LYS 46 18.842 11.829 11.829 1347 3HZ LYS 46 2HZ LYS 46 20.315 11.058 11.058 1348 H THR 47 HN THR 47 15.534 11.299 11.299 1349 HA THR 47 HA THR 47 13.495 10.095 10.095 1350 HB THR 47 HB THR 47 11.781 10.658 10.658 1351 HG1 THR 47 1HG THR 47 13.754 12.196 12.196 1352 1HG2 THR 47 3HG2 THR 47 13.923 9.055 9.055 1353 2HG2 THR 47 2HG2 THR 47 13.347 9.996 9.996 1354 3HG2 THR 47 1HG2 THR 47 12.225 8.983 8.983 1355 H THR 48 HN THR 48 12.021 11.551 11.551 1356 HA THR 48 HA THR 48 13.236 13.825 13.825 1357 HB THR 48 HB THR 48 10.985 14.282 14.282 1358 HG1 THR 48 1HG THR 48 9.264 13.118 13.118 1359 1HG2 THR 48 2HG2 THR 48 12.605 12.144 12.144 1360 2HG2 THR 48 1HG2 THR 48 11.009 11.417 11.417 1361 3HG2 THR 48 3HG2 THR 48 11.254 12.730 12.730 1362 H ASN 49 HN ASN 49 11.095 13.405 13.405 1363 HA ASN 49 HA ASN 49 11.292 16.297 16.297 1364 1HB ASN 49 2HB ASN 49 8.961 14.918 14.918 1365 2HB ASN 49 1HB ASN 49 9.059 14.902 14.902 1366 1HD2 ASN 49 2HD2 ASN 49 7.794 18.086 18.086 1367 2HD2 ASN 49 1HD2 ASN 49 7.967 16.487 16.487 1368 H MET 50 HN MET 50 12.772 16.540 16.540 1369 HA MET 50 HA MET 50 12.863 14.598 14.598 1370 1HB MET 50 2HB MET 50 14.864 16.502 16.502 1371 2HB MET 50 1HB MET 50 15.051 15.947 15.947 1372 1HG MET 50 2HG MET 50 14.913 14.206 14.206 1373 2HG MET 50 1HG MET 50 16.361 14.598 14.598 1374 1HE MET 50 2HE MET 50 17.316 13.375 13.375 1375 2HE MET 50 1HE MET 50 16.387 13.594 13.594 1376 3HE MET 50 3HE MET 50 16.726 11.970 11.970 1377 H ARG 51 HN ARG 51 10.895 16.818 16.818 1378 HA ARG 51 HA ARG 51 11.570 18.457 18.457 1379 1HB ARG 51 2HB ARG 51 9.185 19.027 19.027 1380 2HB ARG 51 1HB ARG 51 10.222 20.140 20.140 1381 1HG ARG 51 2HG ARG 51 12.023 19.588 19.588 1382 2HG ARG 51 1HG ARG 51 10.755 18.798 18.798 1383 1HD ARG 51 2HD ARG 51 10.535 20.841 20.841 1384 2HD ARG 51 1HD ARG 51 9.566 21.161 21.161 1385 HE ARG 51 HE ARG 51 12.248 21.733 21.733 1386 1HH1 ARG 51 1HH2 ARG 51 9.629 22.928 22.928 1387 2HH1 ARG 51 2HH2 ARG 51 10.183 24.569 24.569 1388 1HH2 ARG 51 1HH1 ARG 51 12.987 23.889 23.889 1389 2HH2 ARG 51 2HH1 ARG 51 12.094 25.116 25.116 1390 H ARG 52 HN ARG 52 9.115 16.326 16.326 1391 HA ARG 52 HA ARG 52 7.712 16.343 16.343 1392 1HB ARG 52 2HB ARG 52 6.767 15.458 15.458 1393 2HB ARG 52 1HB ARG 52 5.825 15.313 15.313 1394 1HG ARG 52 2HG ARG 52 6.852 18.006 18.006 1395 2HG ARG 52 1HG ARG 52 5.681 17.395 17.395 1396 1HD ARG 52 2HD ARG 52 4.308 18.397 18.397 1397 2HD ARG 52 1HD ARG 52 4.322 16.724 16.724 1398 HE ARG 52 HE ARG 52 6.370 18.275 18.275 1399 1HH1 ARG 52 1HH2 ARG 52 2.965 17.553 17.553 1400 2HH1 ARG 52 2HH2 ARG 52 2.791 17.941 17.941 1401 1HH2 ARG 52 1HH1 ARG 52 6.154 18.790 18.790 1402 2HH2 ARG 52 2HH1 ARG 52 4.605 18.646 18.646 1403 H LEU 53 HN LEU 53 9.339 14.330 14.330 1404 HA LEU 53 HA LEU 53 8.828 11.940 11.940 1405 1HB LEU 53 2HB LEU 53 10.384 11.843 11.843 1406 2HB LEU 53 1HB LEU 53 9.289 10.657 10.657 1407 HG LEU 53 HG LEU 53 8.287 13.267 13.267 1408 1HD1 LEU 53 1HD1 LEU 53 8.688 10.680 10.680 1409 2HD1 LEU 53 3HD1 LEU 53 7.829 12.097 12.097 1410 3HD1 LEU 53 2HD1 LEU 53 9.559 12.188 12.188 1411 1HD2 LEU 53 2HD2 LEU 53 7.056 11.289 11.289 1412 2HD2 LEU 53 1HD2 LEU 53 6.245 12.446 12.446 1413 3HD2 LEU 53 3HD2 LEU 53 6.672 10.848 10.848 1414 H SER 54 HN SER 54 10.281 11.390 11.390 1415 HA SER 54 HA SER 54 13.101 12.089 12.089 1416 1HB SER 54 2HB SER 54 11.751 11.954 11.954 1417 2HB SER 54 1HB SER 54 13.403 12.471 12.471 1418 HG SER 54 HG SER 54 11.009 13.828 13.828 1419 H VAL 55 HN VAL 55 14.074 10.254 10.254 1420 HA VAL 55 HA VAL 55 13.275 7.712 7.712 1421 HB VAL 55 HB VAL 55 15.672 8.109 8.109 1422 1HG1 VAL 55 1HG1 VAL 55 14.046 5.872 5.872 1423 2HG1 VAL 55 3HG1 VAL 55 14.378 5.838 5.838 1424 3HG1 VAL 55 2HG1 VAL 55 15.712 5.901 5.901 1425 1HG2 VAL 55 3HG2 VAL 55 12.898 8.654 8.654 1426 2HG2 VAL 55 2HG2 VAL 55 14.371 9.000 9.000 1427 3HG2 VAL 55 1HG2 VAL 55 13.612 7.414 7.414 1428 H ASP 56 HN ASP 56 14.734 6.296 6.296 1429 HA ASP 56 HA ASP 56 17.292 7.093 7.093 1430 1HB ASP 56 2HB ASP 56 15.308 8.426 8.426 1431 2HB ASP 56 1HB ASP 56 15.653 7.061 7.061 1432 HA PRO 57 HA PRO 57 18.981 6.291 6.291 1433 1HB PRO 57 2HB PRO 57 20.393 3.927 3.927 1434 2HB PRO 57 1HB PRO 57 20.671 4.861 4.861 1435 1HG PRO 57 2HG PRO 57 19.661 2.353 2.353 1436 2HG PRO 57 1HG PRO 57 19.219 3.581 3.581 1437 1HD PRO 57 2HD PRO 57 17.703 2.663 2.663 1438 2HD PRO 57 1HD PRO 57 17.107 3.015 3.015 1439 HA PRO 58 HA PRO 58 18.536 7.189 7.189 1440 1HB PRO 58 2HB PRO 58 21.067 8.680 8.680 1441 2HB PRO 58 1HB PRO 58 19.524 9.243 9.243 1442 1HG PRO 58 2HG PRO 58 20.310 9.936 9.936 1443 2HG PRO 58 1HG PRO 58 18.608 9.578 9.578 1444 1HD PRO 58 2HD PRO 58 20.662 7.883 7.883 1445 2HD PRO 58 1HD PRO 58 18.938 8.083 8.083 1446 H CYS 59 HN CYS 59 21.821 6.599 6.599 1447 HA CYS 59 HA CYS 59 22.249 4.700 4.700 1448 1HB CYS 59 2HB CYS 59 24.648 5.589 5.589 1449 2HB CYS 59 1HB CYS 59 23.397 6.589 6.589 1450 HG CYS 59 HG CYS 59 23.752 8.346 8.346 1451 H GLY 60 HN GLY 60 24.598 3.657 3.657 1452 1HA GLY 60 2HA GLY 60 25.732 3.306 3.306 1453 2HA GLY 60 1HA GLY 60 24.249 2.380 2.380 1454 H VAL 61 HN VAL 61 25.920 0.670 0.670 1455 HA VAL 61 HA VAL 61 26.371 -0.741 -0.741 1456 HB VAL 61 HB VAL 61 28.576 -0.455 -0.455 1457 1HG1 VAL 61 3HG1 VAL 61 28.424 -2.558 -2.558 1458 2HG1 VAL 61 2HG1 VAL 61 28.749 -1.535 -1.535 1459 3HG1 VAL 61 1HG1 VAL 61 29.938 -1.661 -1.661 1460 1HG2 VAL 61 3HG2 VAL 61 28.289 0.880 0.880 1461 2HG2 VAL 61 2HG2 VAL 61 28.219 1.677 1.677 1462 3HG2 VAL 61 1HG2 VAL 61 29.723 0.937 0.937 1463 H LEU 62 HN LEU 62 26.276 -2.962 -2.962 1464 HA LEU 62 HA LEU 62 25.957 -4.079 -4.079 1465 1HB LEU 62 2HB LEU 62 24.118 -5.538 -5.538 1466 2HB LEU 62 1HB LEU 62 23.719 -3.863 -3.863 1467 HG LEU 62 HG LEU 62 24.498 -4.842 -4.842 1468 1HD1 LEU 62 1HD1 LEU 62 21.938 -5.045 -5.045 1469 2HD1 LEU 62 3HD1 LEU 62 21.853 -4.431 -4.431 1470 3HD1 LEU 62 2HD1 LEU 62 22.571 -6.011 -6.011 1471 1HD2 LEU 62 1HD2 LEU 62 23.879 -2.276 -2.276 1472 2HD2 LEU 62 3HD2 LEU 62 24.522 -2.657 -2.657 1473 3HD2 LEU 62 2HD2 LEU 62 22.780 -2.663 -2.663 1474 H ASP 63 HN ASP 63 26.860 -6.035 -6.035 1475 HA ASP 63 HA ASP 63 28.769 -6.998 -6.998 1476 1HB ASP 63 2HB ASP 63 28.023 -7.505 -7.505 1477 2HB ASP 63 1HB ASP 63 28.091 -9.051 -9.051 1478 HA PRO 64 HA PRO 64 26.859 -10.129 -10.129 1479 1HB PRO 64 2HB PRO 64 28.090 -12.391 -12.391 1480 2HB PRO 64 1HB PRO 64 28.249 -11.922 -11.922 1481 1HG PRO 64 2HG PRO 64 30.250 -11.555 -11.555 1482 2HG PRO 64 1HG PRO 64 29.922 -10.389 -10.389 1483 1HD PRO 64 2HD PRO 64 29.253 -10.229 -10.229 1484 2HD PRO 64 1HD PRO 64 29.826 -8.956 -8.956 1485 H LYS 65 HN LYS 65 24.737 -10.443 -10.443 1486 HA LYS 65 HA LYS 65 22.769 -11.405 -11.405 1487 1HB LYS 65 2HB LYS 65 24.387 -13.429 -13.429 1488 2HB LYS 65 1HB LYS 65 24.145 -13.083 -13.083 1489 1HG LYS 65 2HG LYS 65 22.049 -13.886 -13.886 1490 2HG LYS 65 1HG LYS 65 21.687 -13.238 -13.238 1491 1HD LYS 65 2HD LYS 65 21.737 -15.415 -15.415 1492 2HD LYS 65 1HD LYS 65 23.480 -15.143 -15.143 1493 1HE LYS 65 2HE LYS 65 22.290 -15.899 -15.899 1494 2HE LYS 65 1HE LYS 65 22.386 -17.148 -17.148 1495 1HZ LYS 65 1HZ LYS 65 24.832 -16.181 -16.181 1496 2HZ LYS 65 3HZ LYS 65 24.524 -15.817 -15.817 1497 3HZ LYS 65 2HZ LYS 65 24.416 -17.414 -17.414 1498 H GLU 66 HN GLU 66 23.937 -9.063 -9.063 1499 HA GLU 66 HA GLU 66 22.974 -9.296 -9.296 1500 1HB GLU 66 2HB GLU 66 24.707 -7.437 -7.437 1501 2HB GLU 66 1HB GLU 66 23.629 -6.657 -6.657 1502 1HG GLU 66 2HG GLU 66 24.753 -8.898 -8.898 1503 2HG GLU 66 1HG GLU 66 26.062 -8.038 -8.038 1504 H LYS 67 HN LYS 67 21.365 -7.889 -7.889 1505 HA LYS 67 HA LYS 67 19.437 -6.962 -6.962 1506 1HB LYS 67 2HB LYS 67 18.743 -7.794 -7.794 1507 2HB LYS 67 1HB LYS 67 17.652 -7.558 -7.558 1508 1HG LYS 67 2HG LYS 67 18.684 -9.501 -9.501 1509 2HG LYS 67 1HG LYS 67 19.685 -9.758 -9.758 1510 1HD LYS 67 2HD LYS 67 17.859 -10.360 -10.360 1511 2HD LYS 67 1HD LYS 67 16.699 -9.612 -9.612 1512 1HE LYS 67 2HE LYS 67 17.273 -11.341 -11.341 1513 2HE LYS 67 1HE LYS 67 18.297 -12.121 -12.121 1514 1HZ LYS 67 1HZ LYS 67 15.595 -11.590 -11.590 1515 2HZ LYS 67 3HZ LYS 67 15.708 -12.697 -12.697 1516 3HZ LYS 67 2HZ LYS 67 16.534 -12.986 -12.986 1517 H VAL 68 HN VAL 68 18.472 -4.986 -4.986 1518 HA VAL 68 HA VAL 68 19.137 -3.348 -3.348 1519 HB VAL 68 HB VAL 68 20.876 -2.882 -2.882 1520 1HG1 VAL 68 1HG1 VAL 68 19.347 -3.321 -3.321 1521 2HG1 VAL 68 3HG1 VAL 68 18.655 -1.724 -1.724 1522 3HG1 VAL 68 2HG1 VAL 68 20.360 -1.883 -1.883 1523 1HG2 VAL 68 3HG2 VAL 68 18.929 -0.745 -0.745 1524 2HG2 VAL 68 2HG2 VAL 68 20.513 -1.113 -1.113 1525 3HG2 VAL 68 1HG2 VAL 68 20.391 -0.361 -0.361 1526 H LEU 69 HN LEU 69 17.443 -2.176 -2.176 1527 HA LEU 69 HA LEU 69 15.000 -2.271 -2.271 1528 1HB LEU 69 2HB LEU 69 15.527 -2.349 -2.349 1529 2HB LEU 69 1HB LEU 69 15.023 -0.683 -0.683 1530 HG LEU 69 HG LEU 69 12.934 -1.544 -1.544 1531 1HD1 LEU 69 1HD1 LEU 69 14.223 -4.124 -4.124 1532 2HD1 LEU 69 3HD1 LEU 69 12.465 -3.989 -3.989 1533 3HD1 LEU 69 2HD1 LEU 69 13.310 -3.694 -3.694 1534 1HD2 LEU 69 1HD2 LEU 69 13.526 -2.261 -2.261 1535 2HD2 LEU 69 3HD2 LEU 69 12.802 -0.775 -0.775 1536 3HD2 LEU 69 2HD2 LEU 69 11.910 -2.293 -2.293 1537 H MET 70 HN MET 70 13.918 -0.571 -0.571 1538 HA MET 70 HA MET 70 15.237 2.061 2.061 1539 1HB MET 70 2HB MET 70 15.700 0.891 0.891 1540 2HB MET 70 1HB MET 70 13.970 0.779 0.779 1541 1HG MET 70 2HG MET 70 13.753 3.057 3.057 1542 2HG MET 70 1HG MET 70 15.269 3.432 3.432 1543 1HE MET 70 3HE MET 70 13.588 1.995 1.995 1544 2HE MET 70 2HE MET 70 14.989 1.487 1.487 1545 3HE MET 70 1HE MET 70 14.570 0.633 0.633 1546 H ALA 71 HN ALA 71 13.816 3.867 3.867 1547 HA ALA 71 HA ALA 71 10.956 3.309 3.309 1548 1HB ALA 71 2HB ALA 71 12.001 3.734 3.734 1549 2HB ALA 71 1HB ALA 71 12.342 5.374 5.374 1550 3HB ALA 71 3HB ALA 71 10.674 4.811 4.811 1551 H VAL 72 HN VAL 72 9.569 4.966 4.966 1552 HA VAL 72 HA VAL 72 10.856 7.148 7.148 1553 HB VAL 72 HB VAL 72 8.536 5.483 5.483 1554 1HG1 VAL 72 1HG1 VAL 72 10.001 7.803 7.803 1555 2HG1 VAL 72 3HG1 VAL 72 8.822 6.788 6.788 1556 3HG1 VAL 72 2HG1 VAL 72 8.322 7.779 7.779 1557 1HG2 VAL 72 1HG2 VAL 72 11.414 5.211 5.211 1558 2HG2 VAL 72 3HG2 VAL 72 10.124 4.076 4.076 1559 3HG2 VAL 72 2HG2 VAL 72 10.581 5.329 5.329 1560 H SER 73 HN SER 73 10.308 8.523 8.523 1561 HA SER 73 HA SER 73 7.774 8.820 8.820 1562 1HB SER 73 2HB SER 73 10.249 10.410 10.410 1563 2HB SER 73 1HB SER 73 8.784 11.359 11.359 1564 HG SER 73 HG SER 73 9.466 10.736 10.736 1565 H CYS 74 HN CYS 74 5.945 9.817 9.817 1566 HA CYS 74 HA CYS 74 5.972 11.626 11.626 1567 1HB CYS 74 2HB CYS 74 5.454 9.229 9.229 1568 2HB CYS 74 1HB CYS 74 3.949 9.397 9.397 1569 HG CYS 74 HG CYS 74 3.356 10.050 10.050 1570 H ASP 75 HN ASP 75 5.539 13.288 13.288 1571 HA ASP 75 HA ASP 75 3.638 13.351 13.351 1572 1HB ASP 75 2HB ASP 75 4.585 15.555 15.555 1573 2HB ASP 75 1HB ASP 75 3.546 15.840 15.840 1574 H THR 76 HN THR 76 1.498 14.178 14.178 1575 HA THR 76 HA THR 76 -0.216 13.232 13.232 1576 HB THR 76 HB THR 76 -1.975 13.837 13.837 1577 HG1 THR 76 1HG THR 76 -2.043 15.624 15.624 1578 1HG2 THR 76 3HG2 THR 76 -0.162 12.392 12.392 1579 2HG2 THR 76 2HG2 THR 76 0.106 13.833 13.833 1580 3HG2 THR 76 1HG2 THR 76 -1.482 13.064 13.064 1581 H PHE 77 HN PHE 77 -0.648 14.169 14.169 1582 HA PHE 77 HA PHE 77 -0.927 17.084 17.084 1583 1HB PHE 77 2HB PHE 77 0.423 17.298 17.298 1584 2HB PHE 77 1HB PHE 77 1.370 16.390 16.390 1585 HD1 PHE 77 2HD PHE 77 1.259 13.802 13.802 1586 HD2 PHE 77 1HD PHE 77 0.190 16.496 16.496 1587 HE1 PHE 77 2HE PHE 77 1.588 12.012 12.012 1588 HE2 PHE 77 1HE PHE 77 0.517 14.709 14.709 1589 HZ PHE 77 HZ PHE 77 1.216 12.464 12.464 1590 H ASN 78 HN ASN 78 -1.371 17.288 17.288 1591 HA ASN 78 HA ASN 78 -3.646 15.507 15.507 1592 1HB ASN 78 2HB ASN 78 -3.954 18.133 18.133 1593 2HB ASN 78 1HB ASN 78 -4.148 18.236 18.236 1594 1HD2 ASN 78 2HD2 ASN 78 -7.484 17.442 17.442 1595 2HD2 ASN 78 1HD2 ASN 78 -6.293 18.560 18.560 1596 H ALA 79 HN ALA 79 -3.940 14.949 14.949 1597 HA ALA 79 HA ALA 79 -1.835 15.762 15.762 1598 1HB ALA 79 1HB ALA 79 -3.873 13.549 13.549 1599 2HB ALA 79 3HB ALA 79 -2.668 13.878 13.878 1600 3HB ALA 79 2HB ALA 79 -2.156 13.395 13.395 1601 H ALA 80 HN ALA 80 -4.358 17.356 17.356 1602 HA ALA 80 HA ALA 80 -5.610 17.570 17.570 1603 1HB ALA 80 1HB ALA 80 -6.603 17.781 17.781 1604 2HB ALA 80 3HB ALA 80 -6.649 19.419 19.419 1605 3HB ALA 80 2HB ALA 80 -7.466 18.105 18.105 1606 H THR 81 HN THR 81 -3.436 19.233 19.233 1607 HA THR 81 HA THR 81 -2.906 21.192 21.192 1608 HB THR 81 HB THR 81 -3.123 23.107 23.107 1609 HG1 THR 81 1HG THR 81 -3.319 22.840 22.840 1610 1HG2 THR 81 3HG2 THR 81 -5.143 22.127 22.127 1611 2HG2 THR 81 2HG2 THR 81 -5.702 21.648 21.648 1612 3HG2 THR 81 1HG2 THR 81 -5.412 23.351 23.351 1613 H GLU 82 HN GLU 82 -1.272 19.144 19.144 1614 HA GLU 82 HA GLU 82 0.959 20.546 20.546 1615 1HB GLU 82 2HB GLU 82 0.039 17.746 17.746 1616 2HB GLU 82 1HB GLU 82 1.603 18.397 18.397 1617 1HG GLU 82 2HG GLU 82 -1.049 19.572 19.572 1618 2HG GLU 82 1HG GLU 82 -0.092 18.474 18.474 1619 H ASP 83 HN ASP 83 3.068 19.420 19.420 1620 HA ASP 83 HA ASP 83 3.563 19.171 19.171 1621 1HB ASP 83 2HB ASP 83 5.273 19.501 19.501 1622 2HB ASP 83 1HB ASP 83 5.143 17.783 17.783 1623 H LEU 84 HN LEU 84 3.213 17.651 17.651 1624 HA LEU 84 HA LEU 84 3.117 14.844 14.844 1625 1HB LEU 84 2HB LEU 84 0.746 16.298 16.298 1626 2HB LEU 84 1HB LEU 84 0.918 14.553 14.553 1627 HG LEU 84 HG LEU 84 0.880 16.187 16.187 1628 1HD1 LEU 84 3HD1 LEU 84 -1.241 16.406 16.406 1629 2HD1 LEU 84 2HD1 LEU 84 -1.384 14.648 14.648 1630 3HD1 LEU 84 1HD1 LEU 84 -1.423 15.514 15.514 1631 1HD2 LEU 84 3HD2 LEU 84 1.399 13.419 13.419 1632 2HD2 LEU 84 2HD2 LEU 84 1.565 14.277 14.277 1633 3HD2 LEU 84 1HD2 LEU 84 0.010 13.581 13.581 1634 H ASN 85 HN ASN 85 4.983 14.790 14.790 1635 HA ASN 85 HA ASN 85 4.396 14.861 14.861 1636 1HB ASN 85 2HB ASN 85 7.150 15.354 15.354 1637 2HB ASN 85 1HB ASN 85 6.520 15.749 15.749 1638 1HD2 ASN 85 2HD2 ASN 85 4.701 18.615 18.615 1639 2HD2 ASN 85 1HD2 ASN 85 4.480 17.230 17.230 1640 H ASN 86 HN ASN 86 4.282 12.719 12.719 1641 HA ASN 86 HA ASN 86 4.633 10.474 10.474 1642 1HB ASN 86 2HB ASN 86 6.484 10.754 10.754 1643 2HB ASN 86 1HB ASN 86 5.553 9.347 9.347 1644 1HD2 ASN 86 2HD2 ASN 86 4.039 11.909 11.909 1645 2HD2 ASN 86 1HD2 ASN 86 5.689 11.883 11.883 1646 H ASP 87 HN ASP 87 5.699 10.500 10.500 1647 HA ASP 87 HA ASP 87 8.441 11.199 11.199 1648 1HB ASP 87 2HB ASP 87 6.731 11.263 11.263 1649 2HB ASP 87 1HB ASP 87 6.777 9.502 9.502 1650 H ARG 88 HN ARG 88 10.237 9.869 9.869 1651 HA ARG 88 HA ARG 88 9.925 7.010 7.010 1652 1HB ARG 88 2HB ARG 88 12.067 8.505 8.505 1653 2HB ARG 88 1HB ARG 88 11.375 6.927 6.927 1654 1HG ARG 88 2HG ARG 88 9.265 8.054 8.054 1655 2HG ARG 88 1HG ARG 88 10.069 9.607 9.607 1656 1HD ARG 88 2HD ARG 88 11.006 7.460 7.460 1657 2HD ARG 88 1HD ARG 88 10.025 8.848 8.848 1658 HE ARG 88 HE ARG 88 12.299 9.794 9.794 1659 1HH1 ARG 88 1HH2 ARG 88 11.444 8.143 8.143 1660 2HH1 ARG 88 2HH2 ARG 88 12.789 8.767 8.767 1661 1HH2 ARG 88 1HH1 ARG 88 14.075 10.624 10.624 1662 2HH2 ARG 88 2HH1 ARG 88 14.286 10.178 10.178 1663 H ILE 89 HN ILE 89 11.351 5.750 5.750 1664 HA ILE 89 HA ILE 89 13.368 7.145 7.145 1665 HB ILE 89 HB ILE 89 12.000 4.503 4.503 1666 1HG1 ILE 89 2HG1 ILE 89 11.743 7.154 7.154 1667 2HG1 ILE 89 1HG1 ILE 89 10.565 6.516 6.516 1668 1HG2 ILE 89 1HG2 ILE 89 13.988 6.040 6.040 1669 2HG2 ILE 89 3HG2 ILE 89 13.125 4.592 4.592 1670 3HG2 ILE 89 2HG2 ILE 89 14.275 4.506 4.506 1671 1HD1 ILE 89 3HD1 ILE 89 11.283 4.752 4.752 1672 2HD1 ILE 89 2HD1 ILE 89 10.371 6.209 6.209 1673 3HD1 ILE 89 1HD1 ILE 89 9.721 5.050 5.050 1674 H THR 90 HN THR 90 15.119 7.061 7.061 1675 HA THR 90 HA THR 90 15.894 4.640 4.640 1676 HB THR 90 HB THR 90 17.853 6.841 6.841 1677 HG1 THR 90 1HG THR 90 15.405 7.148 7.148 1678 1HG2 THR 90 1HG2 THR 90 17.495 4.742 4.742 1679 2HG2 THR 90 3HG2 THR 90 17.120 6.209 6.209 1680 3HG2 THR 90 2HG2 THR 90 18.678 6.048 6.048 1681 H ILE 91 HN ILE 91 17.491 3.221 3.221 1682 HA ILE 91 HA ILE 91 18.947 3.665 3.665 1683 HB ILE 91 HB ILE 91 17.761 1.000 1.000 1684 1HG1 ILE 91 2HG1 ILE 91 16.349 1.623 1.623 1685 2HG1 ILE 91 1HG1 ILE 91 16.650 3.263 3.263 1686 1HG2 ILE 91 2HG2 ILE 91 19.751 1.760 1.760 1687 2HG2 ILE 91 1HG2 ILE 91 18.321 1.321 1.321 1688 3HG2 ILE 91 3HG2 ILE 91 19.012 0.173 0.173 1689 1HD1 ILE 91 3HD1 ILE 91 15.663 2.660 2.660 1690 2HD1 ILE 91 2HD1 ILE 91 15.303 1.054 1.054 1691 3HD1 ILE 91 1HD1 ILE 91 14.533 2.475 2.475 1692 H GLU 92 HN GLU 92 21.020 3.755 3.755 1693 HA GLU 92 HA GLU 92 22.011 1.849 1.849 1694 1HB GLU 92 2HB GLU 92 23.883 3.539 3.539 1695 2HB GLU 92 1HB GLU 92 22.298 4.020 4.020 1696 1HG GLU 92 2HG GLU 92 22.752 4.812 4.812 1697 2HG GLU 92 1HG GLU 92 23.943 5.485 5.485 1698 H TRP 93 HN TRP 93 23.385 0.349 0.349 1699 HA TRP 93 HA TRP 93 25.043 0.939 0.939 1700 1HB TRP 93 2HB TRP 93 24.567 -1.147 -1.147 1701 2HB TRP 93 1HB TRP 93 23.010 -0.458 -0.458 1702 HD1 TRP 93 1HD TRP 93 25.137 -3.502 -3.502 1703 HE1 TRP 93 1HE TRP 93 23.940 -5.165 -5.165 1704 HE3 TRP 93 3HE TRP 93 21.377 -0.476 -0.476 1705 HZ2 TRP 93 2HZ TRP 93 21.700 -5.193 -5.193 1706 HZ3 TRP 93 3HZ TRP 93 19.748 -1.399 -1.399 1707 HH2 TRP 93 2HH TRP 93 19.909 -3.710 -3.710 1708 H THR 94 HN THR 94 27.091 0.078 0.078 1709 HA THR 94 HA THR 94 27.830 -1.703 -1.703 1710 HB THR 94 HB THR 94 28.382 0.335 0.335 1711 HG1 THR 94 1HG THR 94 30.201 -1.224 -1.224 1712 1HG2 THR 94 2HG2 THR 94 28.432 1.404 1.404 1713 2HG2 THR 94 1HG2 THR 94 30.070 1.606 1.606 1714 3HG2 THR 94 3HG2 THR 94 28.699 2.255 2.255 1715 H ASN 95 HN ASN 95 29.601 -3.010 -3.010 1716 HA ASN 95 HA ASN 95 30.124 -3.679 -3.679 1717 1HB ASN 95 2HB ASN 95 31.916 -4.332 -4.332 1718 2HB ASN 95 1HB ASN 95 31.723 -5.246 -5.246 1719 1HD2 ASN 95 2HD2 ASN 95 29.688 -6.475 -6.475 1720 2HD2 ASN 95 1HD2 ASN 95 31.250 -5.739 -5.739 1721 H THR 96 HN THR 96 31.572 -2.985 -2.985 1722 HA THR 96 HA THR 96 33.109 -0.641 -0.641 1723 HB THR 96 HB THR 96 33.595 -0.586 -0.586 1724 HG1 THR 96 1HG THR 96 33.976 -2.310 -2.310 1725 1HG2 THR 96 1HG2 THR 96 31.110 -0.583 -0.583 1726 2HG2 THR 96 3HG2 THR 96 31.104 -2.246 -2.246 1727 3HG2 THR 96 2HG2 THR 96 31.598 -0.935 -0.935 1728 HA PRO 97 HA PRO 97 36.919 -2.285 -2.285 1729 1HB PRO 97 2HB PRO 97 38.159 -0.364 -0.364 1730 2HB PRO 97 1HB PRO 97 38.465 -0.587 -0.587 1731 1HG PRO 97 2HG PRO 97 37.034 1.484 1.484 1732 2HG PRO 97 1HG PRO 97 36.591 0.630 0.630 1733 1HD PRO 97 2HD PRO 97 35.326 0.516 0.516 1734 2HD PRO 97 1HD PRO 97 34.578 0.407 0.407 1735 H ASP 98 HN ASP 98 38.836 -3.407 -3.407 1736 HA ASP 98 HA ASP 98 38.432 -5.305 -5.305 1737 1HB ASP 98 2HB ASP 98 40.899 -4.196 -4.196 1738 2HB ASP 98 1HB ASP 98 41.068 -5.330 -5.330 1739 H GLY 99 HN GLY 99 38.179 -5.169 -5.169 1740 1HA GLY 99 2HA GLY 99 38.307 -4.403 -4.403 1741 2HA GLY 99 1HA GLY 99 39.987 -4.053 -4.053 1742 H ALA 100 HN ALA 100 36.991 -2.633 -2.633 1743 HA ALA 100 HA ALA 100 37.992 0.002 0.002 1744 1HB ALA 100 3HB ALA 100 35.906 -1.170 -1.170 1745 2HB ALA 100 2HB ALA 100 35.064 -0.348 -0.348 1746 3HB ALA 100 1HB ALA 100 36.067 0.576 0.576 1747 H ALA 101 HN ALA 101 36.847 1.806 1.806 1748 HA ALA 101 HA ALA 101 37.115 1.378 1.378 1749 1HB ALA 101 3HB ALA 101 36.102 3.753 3.753 1750 2HB ALA 101 2HB ALA 101 36.401 3.740 3.740 1751 3HB ALA 101 1HB ALA 101 37.739 3.502 3.502 1752 H LYS 102 HN LYS 102 35.466 2.033 2.033 1753 HA LYS 102 HA LYS 102 32.948 0.721 0.721 1754 1HB LYS 102 2HB LYS 102 34.092 0.137 0.137 1755 2HB LYS 102 1HB LYS 102 33.997 1.812 1.812 1756 1HG LYS 102 2HG LYS 102 31.432 1.472 1.472 1757 2HG LYS 102 1HG LYS 102 31.845 -0.239 -0.239 1758 1HD LYS 102 2HD LYS 102 33.111 1.428 1.428 1759 2HD LYS 102 1HD LYS 102 31.348 1.460 1.460 1760 1HE LYS 102 2HE LYS 102 31.619 -0.396 -0.396 1761 2HE LYS 102 1HE LYS 102 31.771 -1.182 -1.182 1762 1HZ LYS 102 2HZ LYS 102 34.174 -0.967 -0.967 1763 2HZ LYS 102 1HZ LYS 102 34.023 -0.221 -0.221 1764 3HZ LYS 102 3HZ LYS 102 33.556 -1.834 -1.834 1765 H GLN 103 HN GLN 103 32.502 2.535 2.535 1766 HA GLN 103 HA GLN 103 30.454 4.152 4.152 1767 1HB GLN 103 2HB GLN 103 32.875 5.226 5.226 1768 2HB GLN 103 1HB GLN 103 32.531 6.078 6.078 1769 1HG GLN 103 2HG GLN 103 30.308 6.687 6.687 1770 2HG GLN 103 1HG GLN 103 30.806 5.964 5.964 1771 1HE2 GLN 103 2HE2 GLN 103 32.339 8.844 8.844 1772 2HE2 GLN 103 1HE2 GLN 103 31.556 7.342 7.342 1773 H PHE 104 HN PHE 104 29.353 5.237 5.237 1774 HA PHE 104 HA PHE 104 29.831 4.267 4.267 1775 1HB PHE 104 2HB PHE 104 27.564 4.705 4.705 1776 2HB PHE 104 1HB PHE 104 27.938 6.419 6.419 1777 HD1 PHE 104 2HD PHE 104 28.637 7.648 7.648 1778 HD2 PHE 104 1HD PHE 104 26.658 3.881 3.881 1779 HE1 PHE 104 2HE PHE 104 27.903 8.013 8.013 1780 HE2 PHE 104 1HE PHE 104 25.921 4.238 4.238 1781 HZ PHE 104 HZ PHE 104 26.544 6.306 6.306 1782 H ARG 105 HN ARG 105 31.295 5.015 5.015 1783 HA ARG 105 HA ARG 105 32.214 7.787 7.787 1784 1HB ARG 105 2HB ARG 105 33.653 5.482 5.482 1785 2HB ARG 105 1HB ARG 105 33.600 6.012 6.012 1786 1HG ARG 105 2HG ARG 105 35.378 7.249 7.249 1787 2HG ARG 105 1HG ARG 105 34.240 8.319 8.319 1788 1HD ARG 105 2HD ARG 105 34.582 6.775 6.775 1789 2HD ARG 105 1HD ARG 105 35.999 6.184 6.184 1790 HE ARG 105 HE ARG 105 36.057 8.997 8.997 1791 1HH1 ARG 105 1HH2 ARG 105 36.437 6.210 6.210 1792 2HH1 ARG 105 2HH2 ARG 105 37.513 7.004 7.004 1793 1HH2 ARG 105 1HH1 ARG 105 37.473 10.054 10.054 1794 2HH2 ARG 105 2HH1 ARG 105 38.100 9.192 9.192 1795 H ARG 106 HN ARG 106 32.517 9.086 9.086 1796 HA ARG 106 HA ARG 106 30.360 8.761 8.761 1797 1HB ARG 106 2HB ARG 106 30.859 10.964 10.964 1798 2HB ARG 106 1HB ARG 106 32.447 10.937 10.937 1799 1HG ARG 106 2HG ARG 106 30.775 12.325 12.325 1800 2HG ARG 106 1HG ARG 106 31.492 11.053 11.053 1801 1HD ARG 106 2HD ARG 106 29.518 9.653 9.653 1802 2HD ARG 106 1HD ARG 106 28.804 10.932 10.932 1803 HE ARG 106 HE ARG 106 29.494 11.834 11.834 1804 1HH1 ARG 106 1HH2 ARG 106 27.093 10.111 10.111 1805 2HH1 ARG 106 2HH2 ARG 106 25.802 10.478 10.478 1806 1HH2 ARG 106 1HH1 ARG 106 27.803 12.322 12.322 1807 2HH2 ARG 106 2HH1 ARG 106 26.206 11.734 11.734 1808 H GLU 107 HN GLU 107 33.795 8.309 8.309 1809 HA GLU 107 HA GLU 107 34.338 8.415 8.415 1810 1HB GLU 107 2HB GLU 107 35.795 7.954 7.954 1811 2HB GLU 107 1HB GLU 107 36.032 6.523 6.523 1812 1HG GLU 107 2HG GLU 107 36.573 8.162 8.162 1813 2HG GLU 107 1HG GLU 107 36.727 9.368 9.368 1814 H TRP 108 HN TRP 108 32.829 6.028 6.028 1815 HA TRP 108 HA TRP 108 33.365 3.706 3.706 1816 1HB TRP 108 2HB TRP 108 31.012 4.522 4.522 1817 2HB TRP 108 1HB TRP 108 31.124 2.931 2.931 1818 HD1 TRP 108 1HD TRP 108 34.540 3.573 3.573 1819 HE1 TRP 108 1HE TRP 108 35.199 2.621 2.621 1820 HE3 TRP 108 3HE TRP 108 29.868 2.797 2.797 1821 HZ2 TRP 108 2HZ TRP 108 33.911 1.667 1.667 1822 HZ3 TRP 108 3HZ TRP 108 29.670 1.861 1.861 1823 HH2 TRP 108 2HH TRP 108 31.650 1.307 1.307 1824 H PHE 109 HN PHE 109 31.503 6.445 6.445 1825 HA PHE 109 HA PHE 109 30.391 4.963 4.963 1826 1HB PHE 109 2HB PHE 109 29.090 7.354 7.354 1827 2HB PHE 109 1HB PHE 109 28.418 6.342 6.342 1828 HD1 PHE 109 1HD PHE 109 29.749 6.032 6.032 1829 HD2 PHE 109 2HD PHE 109 26.901 4.727 4.727 1830 HE1 PHE 109 1HE PHE 109 28.691 4.604 4.604 1831 HE2 PHE 109 2HE PHE 109 25.837 3.296 3.296 1832 HZ PHE 109 HZ PHE 109 26.731 3.234 3.234 1833 H GLN 110 HN GLN 110 32.917 6.210 6.210 1834 HA GLN 110 HA GLN 110 32.461 8.513 8.513 1835 1HB GLN 110 2HB GLN 110 34.603 7.967 7.967 1836 2HB GLN 110 1HB GLN 110 34.935 9.020 9.020 1837 1HG GLN 110 2HG GLN 110 32.455 9.635 9.635 1838 2HG GLN 110 1HG GLN 110 33.925 9.828 9.828 1839 1HE2 GLN 110 2HE2 GLN 110 33.806 13.085 13.085 1840 2HE2 GLN 110 1HE2 GLN 110 33.378 12.090 12.090 1841 H GLY 111 HN GLY 111 32.432 5.774 5.774 1842 1HA GLY 111 2HA GLY 111 34.651 5.909 5.909 1843 2HA GLY 111 1HA GLY 111 34.458 4.438 4.438 1844 H ASP 112 HN ASP 112 34.406 4.051 4.051 1845 HA ASP 112 HA ASP 112 31.622 4.100 4.100 1846 1HB ASP 112 2HB ASP 112 34.256 3.974 3.974 1847 2HB ASP 112 1HB ASP 112 32.980 3.014 3.014 1848 H GLY 113 HN GLY 113 30.439 2.270 2.270 1849 1HA GLY 113 2HA GLY 113 29.950 0.002 0.002 1850 2HA GLY 113 1HA GLY 113 31.660 -0.344 -0.344 1851 H MET 114 HN MET 114 29.994 -1.961 -1.961 1852 HA MET 114 HA MET 114 29.485 -2.814 -2.814 1853 1HB MET 114 2HB MET 114 31.986 -1.564 -1.564 1854 2HB MET 114 1HB MET 114 31.077 -1.059 -1.059 1855 1HG MET 114 2HG MET 114 30.534 -3.532 -3.532 1856 2HG MET 114 1HG MET 114 31.818 -3.832 -3.832 1857 1HE MET 114 1HE MET 114 33.020 -5.208 -5.208 1858 2HE MET 114 3HE MET 114 34.368 -4.680 -4.680 1859 3HE MET 114 2HE MET 114 32.860 -5.207 -5.207 1860 H VAL 115 HN VAL 115 28.544 -2.313 -2.313 1861 HA VAL 115 HA VAL 115 27.229 -1.100 -1.100 1862 HB VAL 115 HB VAL 115 27.316 1.265 1.265 1863 1HG1 VAL 115 3HG1 VAL 115 26.421 0.736 0.736 1864 2HG1 VAL 115 2HG1 VAL 115 27.262 2.263 2.263 1865 3HG1 VAL 115 1HG1 VAL 115 25.810 1.881 1.881 1866 1HG2 VAL 115 1HG2 VAL 115 29.520 0.085 0.085 1867 2HG2 VAL 115 3HG2 VAL 115 29.488 1.528 1.528 1868 3HG2 VAL 115 2HG2 VAL 115 29.148 1.655 1.655 1869 H ARG 116 HN ARG 116 25.103 -1.385 -1.385 1870 HA ARG 116 HA ARG 116 23.541 -1.468 -1.468 1871 1HB ARG 116 2HB ARG 116 23.808 -3.490 -3.490 1872 2HB ARG 116 1HB ARG 116 22.550 -2.643 -2.643 1873 1HG ARG 116 2HG ARG 116 21.224 -3.950 -3.950 1874 2HG ARG 116 1HG ARG 116 21.424 -2.614 -2.614 1875 1HD ARG 116 2HD ARG 116 23.379 -3.862 -3.862 1876 2HD ARG 116 1HD ARG 116 22.914 -5.231 -5.231 1877 HE ARG 116 HE ARG 116 20.642 -4.601 -4.601 1878 1HH1 ARG 116 1HH2 ARG 116 23.916 -5.374 -5.374 1879 2HH1 ARG 116 2HH2 ARG 116 23.468 -6.094 -6.094 1880 1HH2 ARG 116 1HH1 ARG 116 20.041 -5.547 -5.547 1881 2HH2 ARG 116 2HH1 ARG 116 21.264 -6.193 -6.193 1882 H ARG 117 HN ARG 117 21.582 -0.400 -0.400 1883 HA ARG 117 HA ARG 117 20.819 1.320 1.320 1884 1HB ARG 117 2HB ARG 117 22.164 2.607 2.607 1885 2HB ARG 117 1HB ARG 117 20.936 2.250 2.250 1886 1HG ARG 117 2HG ARG 117 19.305 3.338 3.338 1887 2HG ARG 117 1HG ARG 117 20.767 4.021 4.021 1888 1HD ARG 117 2HD ARG 117 20.454 4.250 4.250 1889 2HD ARG 117 1HD ARG 117 19.401 5.246 5.246 1890 HE ARG 117 HE ARG 117 21.984 5.559 5.559 1891 1HH1 ARG 117 1HH2 ARG 117 20.217 6.203 6.203 1892 2HH1 ARG 117 2HH2 ARG 117 21.188 7.567 7.567 1893 1HH2 ARG 117 1HH1 ARG 117 23.271 7.354 7.354 1894 2HH2 ARG 117 2HH1 ARG 117 22.925 8.222 8.222 1895 H LYS 118 HN LYS 118 18.921 0.431 0.431 1896 HA LYS 118 HA LYS 118 16.956 -0.086 -0.086 1897 1HB LYS 118 2HB LYS 118 15.869 -1.636 -1.636 1898 2HB LYS 118 1HB LYS 118 17.574 -2.050 -2.050 1899 1HG LYS 118 2HG LYS 118 17.776 -0.552 -0.552 1900 2HG LYS 118 1HG LYS 118 16.059 -0.925 -0.925 1901 1HD LYS 118 2HD LYS 118 17.781 -3.229 -3.229 1902 2HD LYS 118 1HD LYS 118 18.068 -2.478 -2.478 1903 1HE LYS 118 2HE LYS 118 16.247 -3.440 -3.440 1904 2HE LYS 118 1HE LYS 118 15.255 -2.696 -2.696 1905 1HZ LYS 118 3HZ LYS 118 16.812 -5.163 -5.163 1906 2HZ LYS 118 2HZ LYS 118 15.239 -5.206 -5.206 1907 3HZ LYS 118 1HZ LYS 118 15.529 -4.536 -4.536 1908 H ASN 119 HN ASN 119 15.123 1.069 1.069 1909 HA ASN 119 HA ASN 119 14.721 3.060 3.060 1910 1HB ASN 119 2HB ASN 119 13.236 3.017 3.017 1911 2HB ASN 119 1HB ASN 119 13.589 4.388 4.388 1912 1HD2 ASN 119 2HD2 ASN 119 16.299 3.094 3.094 1913 2HD2 ASN 119 1HD2 ASN 119 14.919 2.143 2.143 1914 H LEU 120 HN LEU 120 12.810 3.294 3.294 1915 HA LEU 120 HA LEU 120 10.862 1.106 1.106 1916 1HB LEU 120 2HB LEU 120 11.772 2.568 2.568 1917 2HB LEU 120 1HB LEU 120 10.340 1.555 1.555 1918 HG LEU 120 HG LEU 120 13.167 0.633 0.633 1919 1HD1 LEU 120 3HD1 LEU 120 11.311 0.240 0.240 1920 2HD1 LEU 120 2HD1 LEU 120 12.818 -0.646 -0.646 1921 3HD1 LEU 120 1HD1 LEU 120 12.849 1.102 1.102 1922 1HD2 LEU 120 1HD2 LEU 120 10.553 -0.868 -0.868 1923 2HD2 LEU 120 3HD2 LEU 120 11.647 -0.660 -0.660 1924 3HD2 LEU 120 2HD2 LEU 120 12.144 -1.631 -1.631 1925 HA PRO 121 HA PRO 121 8.514 4.799 4.799 1926 1HB PRO 121 2HB PRO 121 6.577 2.587 2.587 1927 2HB PRO 121 1HB PRO 121 7.045 3.926 3.926 1928 1HG PRO 121 2HG PRO 121 7.956 1.465 1.465 1929 2HG PRO 121 1HG PRO 121 8.999 2.879 2.879 1930 1HD PRO 121 2HD PRO 121 8.971 0.893 0.893 1931 2HD PRO 121 1HD PRO 121 10.345 1.726 1.726 1932 H ILE 122 HN ILE 122 7.076 5.987 5.987 1933 HA ILE 122 HA ILE 122 5.699 4.694 4.694 1934 HB ILE 122 HB ILE 122 6.274 7.638 7.638 1935 1HG1 ILE 122 2HG1 ILE 122 8.436 6.550 6.550 1936 2HG1 ILE 122 1HG1 ILE 122 8.322 7.223 7.223 1937 1HG2 ILE 122 2HG2 ILE 122 5.656 5.657 5.657 1938 2HG2 ILE 122 1HG2 ILE 122 6.268 7.277 7.277 1939 3HG2 ILE 122 3HG2 ILE 122 4.725 7.071 7.071 1940 1HD1 ILE 122 3HD1 ILE 122 7.804 4.996 4.996 1941 2HD1 ILE 122 2HD1 ILE 122 7.954 4.333 4.333 1942 3HD1 ILE 122 1HD1 ILE 122 9.360 5.040 5.040 1943 H GLU 123 HN GLU 123 3.611 4.415 4.415 1944 HA GLU 123 HA GLU 123 2.221 6.511 6.511 1945 1HB GLU 123 2HB GLU 123 2.142 3.586 3.586 1946 2HB GLU 123 1HB GLU 123 0.549 4.326 4.326 1947 1HG GLU 123 2HG GLU 123 1.147 4.012 4.012 1948 2HG GLU 123 1HG GLU 123 1.183 5.740 5.740 1949 H TYR 124 HN TYR 124 0.663 7.630 7.630 1950 HA TYR 124 HA TYR 124 -0.081 6.933 6.933 1951 1HB TYR 124 2HB TYR 124 -0.841 9.361 9.361 1952 2HB TYR 124 1HB TYR 124 -1.084 9.153 9.153 1953 HD1 TYR 124 2HD TYR 124 1.703 7.778 7.778 1954 HD2 TYR 124 1HD TYR 124 0.440 11.393 11.393 1955 HE1 TYR 124 2HE TYR 124 3.914 8.765 8.765 1956 HE2 TYR 124 1HE TYR 124 2.648 12.390 12.390 1957 HH TYR 124 HH TYR 124 4.559 11.930 11.930 1958 H ASN 125 HN ASN 125 -1.668 5.477 5.477 1959 HA ASN 125 HA ASN 125 -3.783 5.301 5.301 1960 1HB ASN 125 2HB ASN 125 -2.704 3.620 3.620 1961 2HB ASN 125 1HB ASN 125 -4.463 3.677 3.677 1962 1HD2 ASN 125 2HD2 ASN 125 -3.623 0.888 0.888 1963 2HD2 ASN 125 1HD2 ASN 125 -3.464 1.314 1.314 1964 H LEU 126 HN LEU 126 -4.571 7.486 7.486 1965 HA LEU 126 HA LEU 126 -5.661 8.392 8.392 1966 1HB LEU 126 2HB LEU 126 -6.624 9.039 9.039 1967 2HB LEU 126 1HB LEU 126 -6.910 9.991 9.991 1968 HG LEU 126 HG LEU 126 -4.260 9.552 9.552 1969 1HD1 LEU 126 2HD1 LEU 126 -5.988 11.191 11.191 1970 2HD1 LEU 126 1HD1 LEU 126 -5.655 12.158 12.158 1971 3HD1 LEU 126 3HD1 LEU 126 -4.358 11.794 11.794 1972 1HD2 LEU 126 1HD2 LEU 126 -4.888 11.060 11.060 1973 2HD2 LEU 126 3HD2 LEU 126 -3.948 9.572 9.572 1974 3HD2 LEU 126 2HD2 LEU 126 -3.337 11.063 11.063 Start of MODEL 12 1 1H ALA 1 2HN ALA 1 -45.859 6.023 6.023 2 2H ALA 1 1HN ALA 1 -46.106 6.070 6.070 3 3H ALA 1 3HN ALA 1 -46.516 4.661 4.661 4 HA ALA 1 HA ALA 1 -44.535 4.214 4.214 5 1HB ALA 1 2HB ALA 1 -44.070 6.719 6.719 6 2HB ALA 1 1HB ALA 1 -43.245 6.615 6.615 7 3HB ALA 1 3HB ALA 1 -42.691 5.637 5.637 8 H GLN 2 HN GLN 2 -42.331 3.656 3.656 9 HA GLN 2 HA GLN 2 -42.264 3.594 3.594 10 1HB GLN 2 2HB GLN 2 -43.849 1.632 1.632 11 2HB GLN 2 1HB GLN 2 -42.314 0.816 0.816 12 1HG GLN 2 2HG GLN 2 -43.649 0.447 0.447 13 2HG GLN 2 1HG GLN 2 -42.395 1.601 1.601 14 1HE2 GLN 2 2HE2 GLN 2 -44.587 4.195 4.195 15 2HE2 GLN 2 1HE2 GLN 2 -42.952 3.691 3.691 16 H SER 3 HN SER 3 -40.505 1.871 1.871 17 HA SER 3 HA SER 3 -38.307 1.289 1.289 18 1HB SER 3 2HB SER 3 -37.569 0.134 0.134 19 2HB SER 3 1HB SER 3 -39.300 0.156 0.156 20 HG SER 3 HG SER 3 -37.352 1.126 1.126 21 H VAL 4 HN VAL 4 -36.298 2.259 2.259 22 HA VAL 4 HA VAL 4 -35.903 4.634 4.634 23 HB VAL 4 HB VAL 4 -36.976 5.537 5.537 24 1HG1 VAL 4 3HG1 VAL 4 -35.793 3.539 3.539 25 2HG1 VAL 4 2HG1 VAL 4 -34.718 4.877 4.877 26 3HG1 VAL 4 1HG1 VAL 4 -36.443 4.995 4.995 27 1HG2 VAL 4 3HG2 VAL 4 -34.036 6.124 6.124 28 2HG2 VAL 4 2HG2 VAL 4 -35.385 6.971 6.971 29 3HG2 VAL 4 1HG2 VAL 4 -35.133 7.090 7.090 30 HA PRO 5 HA PRO 5 -31.816 2.905 2.905 31 1HB PRO 5 2HB PRO 5 -30.467 5.045 5.045 32 2HB PRO 5 1HB PRO 5 -31.497 4.009 4.009 33 1HG PRO 5 2HG PRO 5 -32.113 6.667 6.667 34 2HG PRO 5 1HG PRO 5 -32.488 6.078 6.078 35 1HD PRO 5 2HD PRO 5 -34.328 6.117 6.117 36 2HD PRO 5 1HD PRO 5 -34.312 4.862 4.862 37 HA PRO 6 HA PRO 6 -30.074 4.360 4.360 38 1HB PRO 6 2HB PRO 6 -27.748 2.987 2.987 39 2HB PRO 6 1HB PRO 6 -29.303 2.205 2.205 40 1HG PRO 6 2HG PRO 6 -27.724 2.331 2.331 41 2HG PRO 6 1HG PRO 6 -28.577 0.953 0.953 42 1HD PRO 6 2HD PRO 6 -29.609 2.436 2.436 43 2HD PRO 6 1HD PRO 6 -30.618 1.631 1.631 44 H GLY 7 HN GLY 7 -28.843 6.057 6.057 45 1HA GLY 7 2HA GLY 7 -27.712 7.803 7.803 46 2HA GLY 7 1HA GLY 7 -27.364 7.809 7.809 47 H ASP 8 HN ASP 8 -26.067 7.408 7.408 48 HA ASP 8 HA ASP 8 -24.151 5.464 5.464 49 1HB ASP 8 2HB ASP 8 -22.754 6.939 6.939 50 2HB ASP 8 1HB ASP 8 -24.418 6.742 6.742 51 H ILE 9 HN ILE 9 -22.147 5.206 5.206 52 HA ILE 9 HA ILE 9 -21.324 7.265 7.265 53 HB ILE 9 HB ILE 9 -20.358 5.523 5.523 54 1HG1 ILE 9 2HG1 ILE 9 -21.558 3.236 3.236 55 2HG1 ILE 9 1HG1 ILE 9 -20.327 4.025 4.025 56 1HG2 ILE 9 1HG2 ILE 9 -22.770 6.130 6.130 57 2HG2 ILE 9 3HG2 ILE 9 -23.162 4.710 4.710 58 3HG2 ILE 9 2HG2 ILE 9 -22.363 4.519 4.519 59 1HD1 ILE 9 2HD1 ILE 9 -18.750 3.816 3.816 60 2HD1 ILE 9 1HD1 ILE 9 -19.983 2.924 2.924 61 3HD1 ILE 9 3HD1 ILE 9 -19.327 2.263 2.263 62 H ASN 10 HN ASN 10 -19.136 7.746 7.746 63 HA ASN 10 HA ASN 10 -17.529 7.090 7.090 64 1HB ASN 10 2HB ASN 10 -17.717 9.355 9.355 65 2HB ASN 10 1HB ASN 10 -16.052 8.857 8.857 66 1HD2 ASN 10 2HD2 ASN 10 -17.810 11.159 11.159 67 2HD2 ASN 10 1HD2 ASN 10 -18.237 10.977 10.977 68 H THR 11 HN THR 11 -15.486 6.157 6.157 69 HA THR 11 HA THR 11 -14.612 5.192 5.192 70 HB THR 11 HB THR 11 -13.979 3.041 3.041 71 HG1 THR 11 1HG THR 11 -15.320 2.717 2.717 72 1HG2 THR 11 1HG2 THR 11 -15.359 3.173 3.173 73 2HG2 THR 11 3HG2 THR 11 -16.766 3.270 3.270 74 3HG2 THR 11 2HG2 THR 11 -15.714 1.855 1.855 75 H GLN 12 HN GLN 12 -12.420 4.947 4.947 76 HA GLN 12 HA GLN 12 -10.711 5.608 5.608 77 1HB GLN 12 2HB GLN 12 -10.731 6.887 6.887 78 2HB GLN 12 1HB GLN 12 -9.287 6.899 6.899 79 1HG GLN 12 2HG GLN 12 -11.967 8.068 8.068 80 2HG GLN 12 1HG GLN 12 -10.517 8.962 8.962 81 1HE2 GLN 12 1HE2 GLN 12 -8.796 9.092 9.092 82 2HE2 GLN 12 2HE2 GLN 12 -8.991 8.746 8.746 83 HA PRO 13 HA PRO 13 -9.098 4.749 4.749 84 1HB PRO 13 2HB PRO 13 -8.942 2.261 2.261 85 2HB PRO 13 1HB PRO 13 -7.544 3.156 3.156 86 1HG PRO 13 2HG PRO 13 -9.117 0.980 0.980 87 2HG PRO 13 1HG PRO 13 -7.359 1.218 1.218 88 1HD PRO 13 2HD PRO 13 -8.806 1.883 1.883 89 2HD PRO 13 1HD PRO 13 -7.406 2.845 2.845 90 H SER 14 HN SER 14 -10.462 4.484 4.484 91 HA SER 14 HA SER 14 -13.117 3.408 3.408 92 1HB SER 14 2HB SER 14 -13.419 5.195 5.195 93 2HB SER 14 1HB SER 14 -13.886 5.459 5.459 94 HG SER 14 HG SER 14 -12.374 7.021 7.021 95 H GLN 15 HN GLN 15 -10.500 3.258 3.258 96 HA GLN 15 HA GLN 15 -12.117 1.858 1.858 97 1HB GLN 15 2HB GLN 15 -9.939 3.600 3.600 98 2HB GLN 15 1HB GLN 15 -9.294 2.020 2.020 99 1HG GLN 15 2HG GLN 15 -9.982 2.932 2.932 100 2HG GLN 15 1HG GLN 15 -11.277 1.820 1.820 101 1HE2 GLN 15 2HE2 GLN 15 -13.731 4.236 4.236 102 2HE2 GLN 15 1HE2 GLN 15 -13.276 2.570 2.570 103 H LYS 16 HN LYS 16 -9.167 1.373 1.373 104 HA LYS 16 HA LYS 16 -9.741 -1.303 -1.303 105 1HB LYS 16 2HB LYS 16 -8.024 -2.439 -2.439 106 2HB LYS 16 1HB LYS 16 -9.322 -1.762 -1.762 107 1HG LYS 16 2HG LYS 16 -7.976 -0.182 -0.182 108 2HG LYS 16 1HG LYS 16 -6.883 -0.121 -0.121 109 1HD LYS 16 2HD LYS 16 -5.496 -1.498 -1.498 110 2HD LYS 16 1HD LYS 16 -6.749 -2.739 -2.739 111 1HE LYS 16 2HE LYS 16 -6.648 -2.596 -2.596 112 2HE LYS 16 1HE LYS 16 -7.537 -1.085 -1.085 113 1HZ LYS 16 2HZ LYS 16 -4.753 -0.681 -0.681 114 2HZ LYS 16 1HZ LYS 16 -5.043 -1.409 -1.409 115 3HZ LYS 16 3HZ LYS 16 -5.797 0.055 0.055 116 H ILE 17 HN ILE 17 -8.144 -2.277 -2.277 117 HA ILE 17 HA ILE 17 -6.180 -0.349 -0.349 118 HB ILE 17 HB ILE 17 -7.851 -1.135 -1.135 119 1HG1 ILE 17 2HG1 ILE 17 -5.245 -2.412 -2.412 120 2HG1 ILE 17 1HG1 ILE 17 -5.339 -0.672 -0.672 121 1HG2 ILE 17 2HG2 ILE 17 -7.129 -3.714 -3.714 122 2HG2 ILE 17 1HG2 ILE 17 -7.103 -3.710 -3.710 123 3HG2 ILE 17 3HG2 ILE 17 -8.567 -3.234 -3.234 124 1HD1 ILE 17 1HD1 ILE 17 -7.498 -1.375 -1.375 125 2HD1 ILE 17 3HD1 ILE 17 -6.067 -2.192 -2.192 126 3HD1 ILE 17 2HD1 ILE 17 -6.058 -0.442 -0.442 127 H VAL 18 HN VAL 18 -4.071 -1.084 -1.084 128 HA VAL 18 HA VAL 18 -3.257 -3.649 -3.649 129 HB VAL 18 HB VAL 18 -2.742 -1.944 -1.944 130 1HG1 VAL 18 2HG1 VAL 18 -2.446 -0.180 -0.180 131 2HG1 VAL 18 1HG1 VAL 18 -0.751 -0.651 -0.651 132 3HG1 VAL 18 3HG1 VAL 18 -1.601 0.002 0.002 133 1HG2 VAL 18 1HG2 VAL 18 -1.092 -3.891 -3.891 134 2HG2 VAL 18 3HG2 VAL 18 -0.729 -2.834 -2.834 135 3HG2 VAL 18 2HG2 VAL 18 -0.043 -2.490 -2.490 136 H PHE 19 HN PHE 19 -2.759 -4.677 -4.677 137 HA PHE 19 HA PHE 19 -1.550 -3.486 -3.486 138 1HB PHE 19 2HB PHE 19 -1.649 -6.377 -6.377 139 2HB PHE 19 1HB PHE 19 -1.066 -5.845 -5.845 140 HD1 PHE 19 2HD PHE 19 -3.028 -3.727 -3.727 141 HD2 PHE 19 1HD PHE 19 -3.567 -7.588 -7.588 142 HE1 PHE 19 2HE PHE 19 -5.328 -3.787 -3.787 143 HE2 PHE 19 1HE PHE 19 -5.868 -7.655 -7.655 144 HZ PHE 19 HZ PHE 19 -6.751 -5.753 -5.753 145 H ASN 20 HN ASN 20 0.412 -2.632 -2.632 146 HA ASN 20 HA ASN 20 2.457 -3.332 -3.332 147 1HB ASN 20 2HB ASN 20 2.007 -1.021 -1.021 148 2HB ASN 20 1HB ASN 20 2.858 -1.630 -1.630 149 1HD2 ASN 20 2HD2 ASN 20 6.032 -1.337 -1.337 150 2HD2 ASN 20 1HD2 ASN 20 5.046 -1.882 -1.882 151 H ALA 21 HN ALA 21 4.348 -4.418 -4.418 152 HA ALA 21 HA ALA 21 4.380 -6.463 -6.463 153 1HB ALA 21 3HB ALA 21 5.932 -5.700 -5.700 154 2HB ALA 21 2HB ALA 21 6.987 -6.189 -6.189 155 3HB ALA 21 1HB ALA 21 5.737 -7.288 -7.288 156 HA PRO 22 HA PRO 22 6.781 -7.576 -7.576 157 1HB PRO 22 2HB PRO 22 7.250 -8.241 -8.241 158 2HB PRO 22 1HB PRO 22 8.375 -8.294 -8.294 159 1HG PRO 22 2HG PRO 22 8.591 -6.496 -6.496 160 2HG PRO 22 1HG PRO 22 9.115 -6.151 -6.151 161 1HD PRO 22 2HD PRO 22 6.592 -5.337 -5.337 162 2HD PRO 22 1HD PRO 22 7.640 -4.387 -4.387 163 H TYR 23 HN TYR 23 5.873 -9.676 -9.676 164 HA TYR 23 HA TYR 23 3.208 -9.383 -9.383 165 1HB TYR 23 2HB TYR 23 4.147 -11.362 -11.362 166 2HB TYR 23 1HB TYR 23 2.522 -11.288 -11.288 167 HD1 TYR 23 2HD TYR 23 2.333 -8.250 -8.250 168 HD2 TYR 23 1HD TYR 23 3.584 -10.935 -10.935 169 HE1 TYR 23 2HE TYR 23 1.699 -6.598 -6.598 170 HE2 TYR 23 1HE TYR 23 2.953 -9.287 -9.287 171 HH TYR 23 HH TYR 23 2.635 -6.266 -6.266 172 H ASP 24 HN ASP 24 5.616 -9.885 -9.885 173 HA ASP 24 HA ASP 24 5.059 -12.601 -12.601 174 1HB ASP 24 2HB ASP 24 7.378 -12.058 -12.058 175 2HB ASP 24 1HB ASP 24 7.651 -11.152 -11.152 176 H ASP 25 HN ASP 25 4.283 -9.555 -9.555 177 HA ASP 25 HA ASP 25 4.325 -10.054 -10.054 178 1HB ASP 25 2HB ASP 25 6.049 -8.270 -8.270 179 2HB ASP 25 1HB ASP 25 4.647 -7.231 -7.231 180 H LYS 26 HN LYS 26 2.609 -9.127 -9.127 181 HA LYS 26 HA LYS 26 0.159 -8.970 -8.970 182 1HB LYS 26 2HB LYS 26 0.677 -8.059 -8.059 183 2HB LYS 26 1HB LYS 26 -0.862 -8.547 -8.547 184 1HG LYS 26 2HG LYS 26 -0.300 -10.794 -10.794 185 2HG LYS 26 1HG LYS 26 1.431 -10.462 -10.462 186 1HD LYS 26 2HD LYS 26 0.212 -9.309 -9.309 187 2HD LYS 26 1HD LYS 26 -0.404 -10.955 -10.955 188 1HE LYS 26 2HE LYS 26 2.332 -11.135 -11.135 189 2HE LYS 26 1HE LYS 26 2.196 -10.038 -10.038 190 1HZ LYS 26 1HZ LYS 26 0.466 -12.077 -12.077 191 2HZ LYS 26 3HZ LYS 26 1.802 -12.862 -12.862 192 3HZ LYS 26 2HZ LYS 26 2.005 -11.856 -11.856 193 H HIS 27 HN HIS 27 -0.283 -7.326 -7.326 194 HA HIS 27 HA HIS 27 0.394 -4.599 -4.599 195 1HB HIS 27 2HB HIS 27 -0.186 -5.664 -5.664 196 2HB HIS 27 1HB HIS 27 0.166 -3.981 -3.981 197 HD1 HIS 27 1HD HIS 27 2.662 -3.679 -3.679 198 HD2 HIS 27 2HD HIS 27 1.976 -7.091 -7.091 199 HE1 HIS 27 1HE HIS 27 4.938 -4.620 -4.620 200 H THR 28 HN THR 28 -1.162 -3.063 -3.063 201 HA THR 28 HA THR 28 -3.940 -3.947 -3.947 202 HB THR 28 HB THR 28 -3.376 -1.672 -1.672 203 HG1 THR 28 1HG THR 28 -2.293 -2.782 -2.782 204 1HG2 THR 28 2HG2 THR 28 -5.358 -3.852 -3.852 205 2HG2 THR 28 1HG2 THR 28 -4.970 -3.262 -3.262 206 3HG2 THR 28 3HG2 THR 28 -5.579 -2.147 -2.147 207 H TYR 29 HN TYR 29 -4.811 -3.050 -3.050 208 HA TYR 29 HA TYR 29 -4.000 -0.330 -0.330 209 1HB TYR 29 2HB TYR 29 -5.300 -2.532 -2.532 210 2HB TYR 29 1HB TYR 29 -5.008 -0.905 -0.905 211 HD1 TYR 29 1HD TYR 29 -3.281 -3.904 -3.904 212 HD2 TYR 29 2HD TYR 29 -2.938 -0.345 -0.345 213 HE1 TYR 29 1HE TYR 29 -1.016 -4.573 -4.573 214 HE2 TYR 29 2HE TYR 29 -0.672 -1.003 -1.003 215 HH TYR 29 HH TYR 29 1.162 -3.104 -3.104 216 H HIS 30 HN HIS 30 -5.318 1.146 1.146 217 HA HIS 30 HA HIS 30 -8.069 0.568 0.568 218 1HB HIS 30 2HB HIS 30 -6.273 2.937 2.937 219 2HB HIS 30 1HB HIS 30 -8.015 3.130 3.130 220 HD1 HIS 30 1HD HIS 30 -5.611 0.459 0.459 221 HD2 HIS 30 2HD HIS 30 -8.563 3.082 3.082 222 HE1 HIS 30 1HE HIS 30 -5.896 0.044 0.044 223 H ILE 31 HN ILE 31 -9.893 1.632 1.632 224 HA ILE 31 HA ILE 31 -9.505 2.887 2.887 225 HB ILE 31 HB ILE 31 -11.804 1.066 1.066 226 1HG1 ILE 31 2HG1 ILE 31 -9.665 -0.174 -0.174 227 2HG1 ILE 31 1HG1 ILE 31 -10.758 -0.616 -0.616 228 1HG2 ILE 31 3HG2 ILE 31 -12.231 2.823 2.823 229 2HG2 ILE 31 2HG2 ILE 31 -10.933 2.139 2.139 230 3HG2 ILE 31 1HG2 ILE 31 -12.373 1.183 1.183 231 1HD1 ILE 31 3HD1 ILE 31 -8.991 1.552 1.552 232 2HD1 ILE 31 2HD1 ILE 31 -8.112 0.108 0.108 233 3HD1 ILE 31 1HD1 ILE 31 -9.296 0.009 0.009 234 H LYS 32 HN LYS 32 -11.028 4.490 4.490 235 HA LYS 32 HA LYS 32 -12.413 5.661 5.661 236 1HB LYS 32 2HB LYS 32 -10.637 6.987 6.987 237 2HB LYS 32 1HB LYS 32 -11.734 7.040 7.040 238 1HG LYS 32 2HG LYS 32 -13.161 8.498 8.498 239 2HG LYS 32 1HG LYS 32 -12.753 7.940 7.940 240 1HD LYS 32 2HD LYS 32 -10.813 9.456 9.456 241 2HD LYS 32 1HD LYS 32 -11.944 10.261 10.261 242 1HE LYS 32 2HE LYS 32 -9.974 8.154 8.154 243 2HE LYS 32 1HE LYS 32 -9.656 9.886 9.886 244 1HZ LYS 32 2HZ LYS 32 -12.056 9.631 9.631 245 2HZ LYS 32 1HZ LYS 32 -11.234 8.242 8.242 246 3HZ LYS 32 3HZ LYS 32 -10.562 9.771 9.771 247 H ILE 33 HN ILE 33 -14.536 5.500 5.500 248 HA ILE 33 HA ILE 33 -16.058 5.269 5.269 249 HB ILE 33 HB ILE 33 -16.834 4.021 4.021 250 1HG1 ILE 33 2HG1 ILE 33 -15.814 2.568 2.568 251 2HG1 ILE 33 1HG1 ILE 33 -14.758 3.048 3.048 252 1HG2 ILE 33 3HG2 ILE 33 -18.036 4.081 4.081 253 2HG2 ILE 33 2HG2 ILE 33 -18.315 2.695 2.695 254 3HG2 ILE 33 1HG2 ILE 33 -18.805 4.310 4.310 255 1HD1 ILE 33 1HD1 ILE 33 -16.734 1.759 1.759 256 2HD1 ILE 33 3HD1 ILE 33 -16.683 0.856 0.856 257 3HD1 ILE 33 2HD1 ILE 33 -15.225 1.017 1.017 258 H THR 34 HN THR 34 -17.629 6.735 6.735 259 HA THR 34 HA THR 34 -18.728 8.141 8.141 260 HB THR 34 HB THR 34 -17.511 9.470 9.470 261 HG1 THR 34 1HG THR 34 -16.264 10.505 10.505 262 1HG2 THR 34 1HG2 THR 34 -19.640 10.568 10.568 263 2HG2 THR 34 3HG2 THR 34 -18.927 10.847 10.847 264 3HG2 THR 34 2HG2 THR 34 -18.206 11.585 11.585 265 H ASN 35 HN ASN 35 -20.747 9.191 9.191 266 HA ASN 35 HA ASN 35 -22.304 7.838 7.838 267 1HB ASN 35 2HB ASN 35 -23.114 7.871 7.871 268 2HB ASN 35 1HB ASN 35 -23.244 9.625 9.625 269 1HD2 ASN 35 2HD2 ASN 35 -25.770 7.469 7.469 270 2HD2 ASN 35 1HD2 ASN 35 -24.116 7.000 7.000 271 H ALA 36 HN ALA 36 -22.512 8.791 8.791 272 HA ALA 36 HA ALA 36 -22.233 11.680 11.680 273 1HB ALA 36 2HB ALA 36 -21.272 9.710 9.710 274 2HB ALA 36 1HB ALA 36 -22.778 10.043 10.043 275 3HB ALA 36 3HB ALA 36 -21.602 11.334 11.334 276 H GLY 37 HN GLY 37 -24.687 10.168 10.168 277 1HA GLY 37 2HA GLY 37 -26.652 11.410 11.410 278 2HA GLY 37 1HA GLY 37 -26.965 9.934 9.934 279 H GLY 38 HN GLY 38 -28.681 10.599 10.599 280 1HA GLY 38 2HA GLY 38 -28.063 12.490 12.490 281 2HA GLY 38 1HA GLY 38 -29.438 12.871 12.871 282 H ARG 39 HN ARG 39 -28.230 9.856 9.856 283 HA ARG 39 HA ARG 39 -30.286 9.641 9.641 284 1HB ARG 39 2HB ARG 39 -30.980 8.807 8.807 285 2HB ARG 39 1HB ARG 39 -31.055 7.448 7.448 286 1HG ARG 39 2HG ARG 39 -32.722 8.422 8.422 287 2HG ARG 39 1HG ARG 39 -32.365 10.045 10.045 288 1HD ARG 39 2HD ARG 39 -34.380 9.404 9.404 289 2HD ARG 39 1HD ARG 39 -33.125 9.239 9.239 290 HE ARG 39 HE ARG 39 -33.324 6.762 6.762 291 1HH1 ARG 39 1HH2 ARG 39 -35.497 8.935 8.935 292 2HH1 ARG 39 2HH2 ARG 39 -36.487 7.668 7.668 293 1HH2 ARG 39 1HH1 ARG 39 -34.622 5.085 5.085 294 2HH2 ARG 39 2HH1 ARG 39 -35.990 5.479 5.479 295 H ARG 40 HN ARG 40 -30.349 7.439 7.439 296 HA ARG 40 HA ARG 40 -27.687 6.476 6.476 297 1HB ARG 40 2HB ARG 40 -30.304 5.343 5.343 298 2HB ARG 40 1HB ARG 40 -28.706 4.863 4.863 299 1HG ARG 40 2HG ARG 40 -28.496 6.645 6.645 300 2HG ARG 40 1HG ARG 40 -29.238 7.739 7.739 301 1HD ARG 40 2HD ARG 40 -30.768 5.756 5.756 302 2HD ARG 40 1HD ARG 40 -30.540 7.450 7.450 303 HE ARG 40 HE ARG 40 -32.331 6.389 6.389 304 1HH1 ARG 40 1HH2 ARG 40 -30.564 9.189 9.189 305 2HH1 ARG 40 2HH2 ARG 40 -31.615 10.318 10.318 306 1HH2 ARG 40 1HH1 ARG 40 -33.722 7.867 7.867 307 2HH2 ARG 40 2HH1 ARG 40 -33.412 9.566 9.566 308 H ILE 41 HN ILE 41 -26.713 4.672 4.672 309 HA ILE 41 HA ILE 41 -28.299 2.799 2.799 310 HB ILE 41 HB ILE 41 -26.331 2.771 2.771 311 1HG1 ILE 41 2HG1 ILE 41 -25.928 5.634 5.634 312 2HG1 ILE 41 1HG1 ILE 41 -25.099 4.412 4.412 313 1HG2 ILE 41 3HG2 ILE 41 -28.604 3.616 3.616 314 2HG2 ILE 41 2HG2 ILE 41 -28.089 5.218 5.218 315 3HG2 ILE 41 1HG2 ILE 41 -27.339 4.471 4.471 316 1HD1 ILE 41 2HD1 ILE 41 -24.895 4.719 4.719 317 2HD1 ILE 41 1HD1 ILE 41 -23.703 5.268 5.268 318 3HD1 ILE 41 3HD1 ILE 41 -24.028 3.545 3.545 319 H GLY 42 HN GLY 42 -27.969 0.856 0.856 320 1HA GLY 42 2HA GLY 42 -25.713 0.247 0.247 321 2HA GLY 42 1HA GLY 42 -26.946 -0.889 -0.889 322 H TRP 43 HN TRP 43 -23.748 -0.351 -0.351 323 HA TRP 43 HA TRP 43 -23.439 -1.534 -1.534 324 1HB TRP 43 2HB TRP 43 -21.166 -0.602 -0.602 325 2HB TRP 43 1HB TRP 43 -22.375 0.661 0.661 326 HD1 TRP 43 1HD TRP 43 -22.673 1.561 1.561 327 HE1 TRP 43 1HE TRP 43 -20.864 1.878 1.878 328 HE3 TRP 43 3HE TRP 43 -19.024 -1.423 -1.423 329 HZ2 TRP 43 2HZ TRP 43 -18.237 0.981 0.981 330 HZ3 TRP 43 3HZ TRP 43 -16.892 -1.639 -1.639 331 HH2 TRP 43 2HH TRP 43 -16.508 -0.460 -0.460 332 H ALA 44 HN ALA 44 -21.732 -3.082 -3.082 333 HA ALA 44 HA ALA 44 -20.608 -4.356 -4.356 334 1HB ALA 44 3HB ALA 44 -22.724 -5.670 -5.670 335 2HB ALA 44 2HB ALA 44 -21.534 -6.612 -6.612 336 3HB ALA 44 1HB ALA 44 -22.631 -5.532 -5.532 337 H ILE 45 HN ILE 45 -18.702 -5.331 -5.331 338 HA ILE 45 HA ILE 45 -17.772 -5.183 -5.183 339 HB ILE 45 HB ILE 45 -16.185 -5.857 -5.857 340 1HG1 ILE 45 2HG1 ILE 45 -17.128 -3.623 -3.623 341 2HG1 ILE 45 1HG1 ILE 45 -15.403 -3.507 -3.507 342 1HG2 ILE 45 1HG2 ILE 45 -15.530 -5.492 -5.492 343 2HG2 ILE 45 3HG2 ILE 45 -14.389 -4.851 -4.851 344 3HG2 ILE 45 2HG2 ILE 45 -14.811 -6.563 -6.563 345 1HD1 ILE 45 3HD1 ILE 45 -16.484 -3.416 -3.416 346 2HD1 ILE 45 2HD1 ILE 45 -17.679 -2.550 -2.550 347 3HD1 ILE 45 1HD1 ILE 45 -15.997 -2.020 -2.020 348 H LYS 46 HN LYS 46 -17.051 -6.903 -6.903 349 HA LYS 46 HA LYS 46 -16.956 -9.556 -9.556 350 1HB LYS 46 2HB LYS 46 -18.970 -8.742 -8.742 351 2HB LYS 46 1HB LYS 46 -18.446 -10.411 -10.411 352 1HG LYS 46 2HG LYS 46 -19.674 -8.773 -8.773 353 2HG LYS 46 1HG LYS 46 -20.565 -9.889 -9.889 354 1HD LYS 46 2HD LYS 46 -18.325 -11.294 -11.294 355 2HD LYS 46 1HD LYS 46 -19.033 -10.443 -10.443 356 1HE LYS 46 2HE LYS 46 -21.247 -11.383 -11.383 357 2HE LYS 46 1HE LYS 46 -20.432 -12.335 -12.335 358 1HZ LYS 46 1HZ LYS 46 -19.569 -12.503 -12.503 359 2HZ LYS 46 3HZ LYS 46 -20.902 -13.396 -13.396 360 3HZ LYS 46 2HZ LYS 46 -19.383 -13.637 -13.637 361 H THR 47 HN THR 47 -15.430 -10.786 -10.786 362 HA THR 47 HA THR 47 -14.415 -9.962 -9.962 363 HB THR 47 HB THR 47 -12.692 -9.167 -9.167 364 HG1 THR 47 1HG THR 47 -11.448 -10.437 -10.437 365 1HG2 THR 47 3HG2 THR 47 -13.688 -10.078 -10.078 366 2HG2 THR 47 2HG2 THR 47 -12.734 -11.530 -11.530 367 3HG2 THR 47 1HG2 THR 47 -11.930 -9.975 -9.975 368 H THR 48 HN THR 48 -13.222 -11.633 -11.633 369 HA THR 48 HA THR 48 -14.611 -13.972 -13.972 370 HB THR 48 HB THR 48 -12.125 -14.758 -14.758 371 HG1 THR 48 1HG THR 48 -11.325 -12.715 -12.715 372 1HG2 THR 48 3HG2 THR 48 -14.185 -13.096 -13.096 373 2HG2 THR 48 2HG2 THR 48 -12.636 -13.377 -13.377 374 3HG2 THR 48 1HG2 THR 48 -13.656 -14.743 -14.743 375 H ASN 49 HN ASN 49 -11.693 -13.503 -13.503 376 HA ASN 49 HA ASN 49 -12.237 -16.096 -16.096 377 1HB ASN 49 2HB ASN 49 -9.999 -15.588 -15.588 378 2HB ASN 49 1HB ASN 49 -9.563 -14.772 -14.772 379 1HD2 ASN 49 2HD2 ASN 49 -10.300 -18.798 -18.798 380 2HD2 ASN 49 1HD2 ASN 49 -11.251 -17.783 -17.783 381 H MET 50 HN MET 50 -13.181 -15.836 -15.836 382 HA MET 50 HA MET 50 -12.633 -13.431 -13.431 383 1HB MET 50 2HB MET 50 -14.890 -15.258 -15.258 384 2HB MET 50 1HB MET 50 -14.514 -14.907 -14.907 385 1HG MET 50 2HG MET 50 -14.597 -12.587 -12.587 386 2HG MET 50 1HG MET 50 -16.133 -13.404 -13.404 387 1HE MET 50 3HE MET 50 -13.729 -10.977 -10.977 388 2HE MET 50 2HE MET 50 -15.220 -10.116 -10.116 389 3HE MET 50 1HE MET 50 -14.032 -10.427 -10.427 390 H ARG 51 HN ARG 51 -10.784 -15.787 -15.787 391 HA ARG 51 HA ARG 51 -10.644 -16.618 -16.618 392 1HB ARG 51 2HB ARG 51 -9.016 -17.893 -17.893 393 2HB ARG 51 1HB ARG 51 -9.588 -18.583 -18.583 394 1HG ARG 51 2HG ARG 51 -11.945 -18.194 -18.194 395 2HG ARG 51 1HG ARG 51 -10.980 -18.290 -18.290 396 1HD ARG 51 2HD ARG 51 -10.142 -20.379 -20.379 397 2HD ARG 51 1HD ARG 51 -11.904 -20.403 -20.403 398 HE ARG 51 HE ARG 51 -11.799 -21.086 -21.086 399 1HH1 ARG 51 1HH2 ARG 51 -8.674 -19.916 -19.916 400 2HH1 ARG 51 2HH2 ARG 51 -7.869 -20.463 -20.463 401 1HH2 ARG 51 1HH1 ARG 51 -10.750 -21.811 -21.811 402 2HH2 ARG 51 2HH1 ARG 51 -9.050 -21.543 -21.543 403 H ARG 52 HN ARG 52 -8.652 -15.478 -15.478 404 HA ARG 52 HA ARG 52 -6.365 -15.044 -15.044 405 1HB ARG 52 2HB ARG 52 -6.904 -14.402 -14.402 406 2HB ARG 52 1HB ARG 52 -5.391 -14.019 -14.019 407 1HG ARG 52 2HG ARG 52 -4.863 -16.295 -16.295 408 2HG ARG 52 1HG ARG 52 -6.499 -16.807 -16.807 409 1HD ARG 52 2HD ARG 52 -5.516 -15.298 -15.298 410 2HD ARG 52 1HD ARG 52 -4.236 -16.416 -16.416 411 HE ARG 52 HE ARG 52 -6.691 -17.070 -17.070 412 1HH1 ARG 52 1HH2 ARG 52 -4.313 -18.255 -18.255 413 2HH1 ARG 52 2HH2 ARG 52 -4.645 -19.923 -19.923 414 1HH2 ARG 52 1HH1 ARG 52 -7.135 -19.265 -19.265 415 2HH2 ARG 52 2HH1 ARG 52 -6.248 -20.498 -20.498 416 H LEU 53 HN LEU 53 -8.580 -12.967 -12.967 417 HA LEU 53 HA LEU 53 -7.496 -10.555 -10.555 418 1HB LEU 53 2HB LEU 53 -10.166 -10.784 -10.784 419 2HB LEU 53 1HB LEU 53 -9.082 -9.407 -9.407 420 HG LEU 53 HG LEU 53 -8.767 -11.937 -11.937 421 1HD1 LEU 53 1HD1 LEU 53 -10.080 -9.624 -9.624 422 2HD1 LEU 53 3HD1 LEU 53 -8.476 -9.310 -9.310 423 3HD1 LEU 53 2HD1 LEU 53 -9.384 -10.728 -10.728 424 1HD2 LEU 53 1HD2 LEU 53 -6.780 -9.705 -9.705 425 2HD2 LEU 53 3HD2 LEU 53 -6.600 -11.380 -11.380 426 3HD2 LEU 53 2HD2 LEU 53 -6.638 -10.990 -10.990 427 H SER 54 HN SER 54 -8.618 -9.052 -9.052 428 HA SER 54 HA SER 54 -10.879 -10.078 -10.078 429 1HB SER 54 2HB SER 54 -8.412 -9.006 -9.006 430 2HB SER 54 1HB SER 54 -9.840 -9.718 -9.718 431 HG SER 54 HG SER 54 -9.221 -11.658 -11.658 432 H VAL 55 HN VAL 55 -12.353 -8.533 -8.533 433 HA VAL 55 HA VAL 55 -11.500 -5.734 -5.734 434 HB VAL 55 HB VAL 55 -14.002 -5.433 -5.433 435 1HG1 VAL 55 1HG1 VAL 55 -11.650 -6.143 -6.143 436 2HG1 VAL 55 3HG1 VAL 55 -13.144 -6.565 -6.565 437 3HG1 VAL 55 2HG1 VAL 55 -12.868 -4.906 -4.906 438 1HG2 VAL 55 3HG2 VAL 55 -14.594 -7.781 -7.781 439 2HG2 VAL 55 2HG2 VAL 55 -15.075 -7.308 -7.308 440 3HG2 VAL 55 1HG2 VAL 55 -13.651 -8.319 -8.319 441 H ASP 56 HN ASP 56 -12.396 -4.157 -4.157 442 HA ASP 56 HA ASP 56 -14.388 -4.763 -4.763 443 1HB ASP 56 2HB ASP 56 -12.293 -5.835 -5.835 444 2HB ASP 56 1HB ASP 56 -11.623 -4.212 -4.212 445 HA PRO 57 HA PRO 57 -15.799 -3.762 -3.762 446 1HB PRO 57 2HB PRO 57 -17.947 -2.240 -2.240 447 2HB PRO 57 1HB PRO 57 -16.926 -1.915 -1.915 448 1HG PRO 57 2HG PRO 57 -16.908 -0.611 -0.611 449 2HG PRO 57 1HG PRO 57 -16.790 0.136 0.136 450 1HD PRO 57 2HD PRO 57 -14.626 -0.315 -0.315 451 2HD PRO 57 1HD PRO 57 -14.548 -0.347 -0.347 452 HA PRO 58 HA PRO 58 -16.710 -5.656 -5.656 453 1HB PRO 58 2HB PRO 58 -18.185 -7.730 -7.730 454 2HB PRO 58 1HB PRO 58 -16.430 -7.662 -7.662 455 1HG PRO 58 2HG PRO 58 -18.583 -7.024 -7.024 456 2HG PRO 58 1HG PRO 58 -17.076 -7.927 -7.927 457 1HD PRO 58 2HD PRO 58 -17.375 -5.318 -5.318 458 2HD PRO 58 1HD PRO 58 -15.820 -6.016 -6.016 459 H CYS 59 HN CYS 59 -18.987 -4.238 -4.238 460 HA CYS 59 HA CYS 59 -20.820 -3.765 -3.765 461 1HB CYS 59 2HB CYS 59 -22.785 -4.798 -4.798 462 2HB CYS 59 1HB CYS 59 -21.596 -5.982 -5.982 463 HG CYS 59 HG CYS 59 -22.474 -6.468 -6.468 464 H GLY 60 HN GLY 60 -22.709 -2.436 -2.436 465 1HA GLY 60 2HA GLY 60 -23.131 -1.309 -1.309 466 2HA GLY 60 1HA GLY 60 -21.745 -0.417 -0.417 467 H VAL 61 HN VAL 61 -23.006 1.498 1.498 468 HA VAL 61 HA VAL 61 -24.749 1.718 1.718 469 HB VAL 61 HB VAL 61 -25.374 3.145 3.145 470 1HG1 VAL 61 1HG1 VAL 61 -26.409 3.195 3.195 471 2HG1 VAL 61 3HG1 VAL 61 -27.668 2.799 2.799 472 3HG1 VAL 61 2HG1 VAL 61 -26.731 4.282 4.282 473 1HG2 VAL 61 2HG2 VAL 61 -26.241 0.444 0.444 474 2HG2 VAL 61 1HG2 VAL 61 -25.729 0.950 0.950 475 3HG2 VAL 61 3HG2 VAL 61 -27.313 1.427 1.427 476 H LEU 62 HN LEU 62 -24.765 3.748 3.748 477 HA LEU 62 HA LEU 62 -22.592 5.547 5.547 478 1HB LEU 62 2HB LEU 62 -23.161 4.291 4.291 479 2HB LEU 62 1HB LEU 62 -23.117 6.036 6.036 480 HG LEU 62 HG LEU 62 -20.938 4.934 4.934 481 1HD1 LEU 62 2HD1 LEU 62 -21.462 7.155 7.155 482 2HD1 LEU 62 1HD1 LEU 62 -19.926 6.384 6.384 483 3HD1 LEU 62 3HD1 LEU 62 -20.222 6.970 6.970 484 1HD2 LEU 62 1HD2 LEU 62 -21.555 3.542 3.542 485 2HD2 LEU 62 3HD2 LEU 62 -20.117 3.386 3.386 486 3HD2 LEU 62 2HD2 LEU 62 -20.129 4.524 4.524 487 H ASP 63 HN ASP 63 -23.189 7.521 7.521 488 HA ASP 63 HA ASP 63 -25.907 8.391 8.391 489 1HB ASP 63 2HB ASP 63 -23.579 9.183 9.183 490 2HB ASP 63 1HB ASP 63 -24.445 10.575 10.575 491 HA PRO 64 HA PRO 64 -25.683 10.968 10.968 492 1HB PRO 64 2HB PRO 64 -26.650 13.388 13.388 493 2HB PRO 64 1HB PRO 64 -27.670 11.976 11.976 494 1HG PRO 64 2HG PRO 64 -26.613 13.036 13.036 495 2HG PRO 64 1HG PRO 64 -28.230 12.414 12.414 496 1HD PRO 64 2HD PRO 64 -26.398 10.924 10.924 497 2HD PRO 64 1HD PRO 64 -27.554 10.207 10.207 498 H LYS 65 HN LYS 65 -23.765 11.543 11.543 499 HA LYS 65 HA LYS 65 -21.831 12.680 12.680 500 1HB LYS 65 2HB LYS 65 -23.599 14.601 14.601 501 2HB LYS 65 1HB LYS 65 -22.683 14.878 14.878 502 1HG LYS 65 2HG LYS 65 -20.621 14.985 14.985 503 2HG LYS 65 1HG LYS 65 -21.738 15.074 15.074 504 1HD LYS 65 2HD LYS 65 -21.903 16.951 16.951 505 2HD LYS 65 1HD LYS 65 -20.889 17.282 17.282 506 1HE LYS 65 2HE LYS 65 -22.951 16.980 16.980 507 2HE LYS 65 1HE LYS 65 -23.880 16.950 16.950 508 1HZ LYS 65 2HZ LYS 65 -22.071 19.185 19.185 509 2HZ LYS 65 1HZ LYS 65 -23.293 19.170 19.170 510 3HZ LYS 65 3HZ LYS 65 -23.693 19.152 19.152 511 H GLU 66 HN GLU 66 -22.103 10.875 10.875 512 HA GLU 66 HA GLU 66 -20.182 12.049 12.049 513 1HB GLU 66 2HB GLU 66 -21.775 11.189 11.189 514 2HB GLU 66 1HB GLU 66 -22.336 10.034 10.034 515 1HG GLU 66 2HG GLU 66 -20.946 8.399 8.399 516 2HG GLU 66 1HG GLU 66 -19.702 9.528 9.528 517 H LYS 67 HN LYS 67 -18.266 10.931 10.931 518 HA LYS 67 HA LYS 67 -17.366 9.041 9.041 519 1HB LYS 67 2HB LYS 67 -15.495 10.615 10.615 520 2HB LYS 67 1HB LYS 67 -15.203 9.915 9.915 521 1HG LYS 67 2HG LYS 67 -17.048 11.635 11.635 522 2HG LYS 67 1HG LYS 67 -16.539 12.466 12.466 523 1HD LYS 67 2HD LYS 67 -14.198 12.372 12.372 524 2HD LYS 67 1HD LYS 67 -14.789 11.668 11.668 525 1HE LYS 67 2HE LYS 67 -16.282 13.725 13.725 526 2HE LYS 67 1HE LYS 67 -15.290 14.419 14.419 527 1HZ LYS 67 3HZ LYS 67 -13.362 13.725 13.725 528 2HZ LYS 67 2HZ LYS 67 -14.568 13.791 13.791 529 3HZ LYS 67 1HZ LYS 67 -14.211 15.166 15.166 530 H VAL 68 HN VAL 68 -15.949 7.329 7.329 531 HA VAL 68 HA VAL 68 -15.736 6.709 6.709 532 HB VAL 68 HB VAL 68 -17.912 5.750 5.750 533 1HG1 VAL 68 1HG1 VAL 68 -17.418 5.451 5.451 534 2HG1 VAL 68 3HG1 VAL 68 -16.436 4.049 4.049 535 3HG1 VAL 68 2HG1 VAL 68 -18.167 4.046 4.046 536 1HG2 VAL 68 1HG2 VAL 68 -15.948 4.540 4.540 537 2HG2 VAL 68 3HG2 VAL 68 -17.566 3.864 3.864 538 3HG2 VAL 68 2HG2 VAL 68 -16.255 3.312 3.312 539 H LEU 69 HN LEU 69 -14.050 5.342 5.342 540 HA LEU 69 HA LEU 69 -12.224 4.799 4.799 541 1HB LEU 69 2HB LEU 69 -11.926 5.126 5.126 542 2HB LEU 69 1HB LEU 69 -10.742 4.152 4.152 543 HG LEU 69 HG LEU 69 -11.393 6.963 6.963 544 1HD1 LEU 69 3HD1 LEU 69 -10.340 6.347 6.347 545 2HD1 LEU 69 2HD1 LEU 69 -8.903 6.593 6.593 546 3HD1 LEU 69 1HD1 LEU 69 -10.117 7.867 7.867 547 1HD2 LEU 69 2HD2 LEU 69 -10.139 5.179 5.179 548 2HD2 LEU 69 1HD2 LEU 69 -9.525 6.830 6.830 549 3HD2 LEU 69 3HD2 LEU 69 -8.787 5.556 5.556 550 H MET 70 HN MET 70 -11.618 2.807 2.807 551 HA MET 70 HA MET 70 -12.744 0.513 0.513 552 1HB MET 70 2HB MET 70 -13.626 1.201 1.201 553 2HB MET 70 1HB MET 70 -12.190 0.332 0.332 554 1HG MET 70 2HG MET 70 -13.412 -1.322 -1.322 555 2HG MET 70 1HG MET 70 -14.722 -0.685 -0.685 556 1HE MET 70 1HE MET 70 -13.568 0.005 0.005 557 2HE MET 70 3HE MET 70 -12.266 -0.942 -0.942 558 3HE MET 70 2HE MET 70 -13.947 -1.378 -1.378 559 H ALA 71 HN ALA 71 -11.551 -1.497 -1.497 560 HA ALA 71 HA ALA 71 -8.696 -1.095 -1.095 561 1HB ALA 71 3HB ALA 71 -9.457 -1.146 -1.146 562 2HB ALA 71 2HB ALA 71 -9.472 -2.890 -2.890 563 3HB ALA 71 1HB ALA 71 -7.987 -1.971 -1.971 564 H VAL 72 HN VAL 72 -7.917 -2.522 -2.522 565 HA VAL 72 HA VAL 72 -9.221 -5.156 -5.156 566 HB VAL 72 HB VAL 72 -8.094 -3.592 -3.592 567 1HG1 VAL 72 2HG1 VAL 72 -9.109 -6.326 -6.326 568 2HG1 VAL 72 1HG1 VAL 72 -9.742 -5.471 -5.471 569 3HG1 VAL 72 3HG1 VAL 72 -8.002 -5.675 -5.675 570 1HG2 VAL 72 2HG2 VAL 72 -10.400 -2.965 -2.965 571 2HG2 VAL 72 1HG2 VAL 72 -10.113 -2.703 -2.703 572 3HG2 VAL 72 3HG2 VAL 72 -10.980 -4.140 -4.140 573 H SER 73 HN SER 73 -7.676 -6.241 -6.241 574 HA SER 73 HA SER 73 -4.868 -5.954 -5.954 575 1HB SER 73 2HB SER 73 -4.449 -7.426 -7.426 576 2HB SER 73 1HB SER 73 -5.679 -6.264 -6.264 577 HG SER 73 HG SER 73 -5.904 -8.767 -8.767 578 H CYS 74 HN CYS 74 -3.523 -7.707 -7.707 579 HA CYS 74 HA CYS 74 -4.922 -9.939 -9.939 580 1HB CYS 74 2HB CYS 74 -3.160 -9.696 -9.696 581 2HB CYS 74 1HB CYS 74 -4.497 -8.550 -8.550 582 HG CYS 74 HG CYS 74 -2.742 -6.848 -6.848 583 H ASP 75 HN ASP 75 -4.248 -11.667 -11.667 584 HA ASP 75 HA ASP 75 -1.953 -11.916 -11.916 585 1HB ASP 75 2HB ASP 75 -3.539 -14.062 -14.062 586 2HB ASP 75 1HB ASP 75 -2.310 -14.386 -14.386 587 H THR 76 HN THR 76 0.083 -12.795 -12.795 588 HA THR 76 HA THR 76 1.317 -12.277 -12.277 589 HB THR 76 HB THR 76 3.294 -13.033 -13.033 590 HG1 THR 76 1HG THR 76 1.742 -14.675 -14.675 591 1HG2 THR 76 1HG2 THR 76 1.887 -11.319 -11.319 592 2HG2 THR 76 3HG2 THR 76 1.955 -12.640 -12.640 593 3HG2 THR 76 2HG2 THR 76 3.446 -11.942 -11.942 594 H PHE 77 HN PHE 77 1.959 -13.573 -13.573 595 HA PHE 77 HA PHE 77 1.325 -16.421 -16.421 596 1HB PHE 77 2HB PHE 77 0.037 -16.363 -16.363 597 2HB PHE 77 1HB PHE 77 -0.703 -15.284 -15.284 598 HD1 PHE 77 2HD PHE 77 -0.195 -12.799 -12.799 599 HD2 PHE 77 1HD PHE 77 0.650 -15.588 -15.588 600 HE1 PHE 77 2HE PHE 77 -0.096 -10.955 -10.955 601 HE2 PHE 77 1HE PHE 77 0.750 -13.750 -13.750 602 HZ PHE 77 HZ PHE 77 0.378 -11.429 -11.429 603 H ASN 78 HN ASN 78 1.760 -17.101 -17.101 604 HA ASN 78 HA ASN 78 4.515 -16.172 -16.172 605 1HB ASN 78 2HB ASN 78 3.296 -18.888 -18.888 606 2HB ASN 78 1HB ASN 78 4.546 -18.556 -18.556 607 1HD2 ASN 78 2HD2 ASN 78 6.158 -19.938 -19.938 608 2HD2 ASN 78 1HD2 ASN 78 4.968 -20.463 -20.463 609 H ALA 79 HN ALA 79 4.571 -14.885 -14.885 610 HA ALA 79 HA ALA 79 2.675 -15.304 -15.304 611 1HB ALA 79 1HB ALA 79 3.192 -13.033 -13.033 612 2HB ALA 79 3HB ALA 79 4.583 -13.014 -13.014 613 3HB ALA 79 2HB ALA 79 2.951 -13.091 -13.091 614 H ALA 80 HN ALA 80 5.218 -16.895 -16.895 615 HA ALA 80 HA ALA 80 6.772 -16.317 -16.317 616 1HB ALA 80 1HB ALA 80 7.456 -17.237 -17.237 617 2HB ALA 80 3HB ALA 80 7.683 -18.618 -18.618 618 3HB ALA 80 2HB ALA 80 8.513 -17.096 -17.096 619 H THR 81 HN THR 81 4.529 -18.644 -18.644 620 HA THR 81 HA THR 81 4.453 -19.968 -19.968 621 HB THR 81 HB THR 81 4.438 -22.191 -22.191 622 HG1 THR 81 1HG THR 81 4.069 -22.299 -22.299 623 1HG2 THR 81 2HG2 THR 81 6.606 -21.061 -21.061 624 2HG2 THR 81 1HG2 THR 81 6.864 -20.783 -20.783 625 3HG2 THR 81 3HG2 THR 81 6.719 -22.430 -22.430 626 H GLU 82 HN GLU 82 2.625 -18.135 -18.135 627 HA GLU 82 HA GLU 82 0.230 -19.777 -19.777 628 1HB GLU 82 2HB GLU 82 0.726 -17.443 -17.443 629 2HB GLU 82 1HB GLU 82 -0.735 -18.418 -18.418 630 1HG GLU 82 2HG GLU 82 1.983 -19.477 -19.477 631 2HG GLU 82 1HG GLU 82 0.753 -18.976 -18.976 632 H ASP 83 HN ASP 83 -1.576 -18.876 -18.876 633 HA ASP 83 HA ASP 83 -1.086 -16.869 -16.869 634 1HB ASP 83 2HB ASP 83 -3.552 -18.367 -18.367 635 2HB ASP 83 1HB ASP 83 -3.619 -17.103 -17.103 636 H LEU 84 HN LEU 84 -2.073 -14.822 -14.822 637 HA LEU 84 HA LEU 84 -3.218 -13.697 -13.697 638 1HB LEU 84 2HB LEU 84 -1.171 -12.298 -12.298 639 2HB LEU 84 1HB LEU 84 -1.896 -11.684 -11.684 640 HG LEU 84 HG LEU 84 -0.084 -14.094 -14.094 641 1HD1 LEU 84 1HD1 LEU 84 1.017 -11.910 -11.910 642 2HD1 LEU 84 3HD1 LEU 84 0.521 -11.358 -11.358 643 3HD1 LEU 84 2HD1 LEU 84 1.626 -12.723 -12.723 644 1HD2 LEU 84 2HD2 LEU 84 -1.728 -12.888 -12.888 645 2HD2 LEU 84 1HD2 LEU 84 -1.160 -14.545 -14.545 646 3HD2 LEU 84 3HD2 LEU 84 -0.076 -13.312 -13.312 647 H ASN 85 HN ASN 85 -5.113 -14.267 -14.267 648 HA ASN 85 HA ASN 85 -6.004 -11.818 -11.818 649 1HB ASN 85 2HB ASN 85 -5.944 -14.314 -14.314 650 2HB ASN 85 1HB ASN 85 -6.460 -12.702 -12.702 651 1HD2 ASN 85 1HD2 ASN 85 -4.905 -11.097 -11.097 652 2HD2 ASN 85 2HD2 ASN 85 -3.242 -11.486 -11.486 653 H ASN 86 HN ASN 86 -6.768 -13.491 -13.491 654 HA ASN 86 HA ASN 86 -9.541 -14.033 -14.033 655 1HB ASN 86 2HB ASN 86 -7.831 -15.767 -15.767 656 2HB ASN 86 1HB ASN 86 -9.566 -15.969 -15.969 657 1HD2 ASN 86 2HD2 ASN 86 -6.930 -17.198 -17.198 658 2HD2 ASN 86 1HD2 ASN 86 -6.435 -16.208 -16.208 659 H ASP 87 HN ASP 87 -7.705 -12.053 -12.053 660 HA ASP 87 HA ASP 87 -9.466 -12.034 -12.034 661 1HB ASP 87 2HB ASP 87 -6.659 -11.248 -11.248 662 2HB ASP 87 1HB ASP 87 -7.573 -10.169 -10.169 663 H ARG 88 HN ARG 88 -11.121 -10.677 -10.677 664 HA ARG 88 HA ARG 88 -10.749 -7.976 -7.976 665 1HB ARG 88 2HB ARG 88 -12.883 -8.150 -8.150 666 2HB ARG 88 1HB ARG 88 -11.504 -9.012 -9.012 667 1HG ARG 88 2HG ARG 88 -12.392 -11.097 -11.097 668 2HG ARG 88 1HG ARG 88 -13.830 -10.191 -10.191 669 1HD ARG 88 2HD ARG 88 -14.010 -9.565 -9.565 670 2HD ARG 88 1HD ARG 88 -12.861 -10.873 -10.873 671 HE ARG 88 HE ARG 88 -15.088 -11.707 -11.707 672 1HH1 ARG 88 1HH2 ARG 88 -14.031 -11.076 -11.076 673 2HH1 ARG 88 2HH2 ARG 88 -15.172 -12.163 -12.163 674 1HH2 ARG 88 1HH1 ARG 88 -16.595 -13.141 -13.141 675 2HH2 ARG 88 2HH1 ARG 88 -16.630 -13.338 -13.338 676 H ILE 89 HN ILE 89 -11.865 -6.506 -6.506 677 HA ILE 89 HA ILE 89 -13.467 -7.457 -7.457 678 HB ILE 89 HB ILE 89 -12.685 -4.629 -4.629 679 1HG1 ILE 89 2HG1 ILE 89 -11.441 -6.525 -6.525 680 2HG1 ILE 89 1HG1 ILE 89 -10.740 -6.099 -6.099 681 1HG2 ILE 89 2HG2 ILE 89 -13.966 -5.833 -5.833 682 2HG2 ILE 89 1HG2 ILE 89 -13.160 -4.266 -4.266 683 3HG2 ILE 89 3HG2 ILE 89 -14.560 -4.519 -4.519 684 1HD1 ILE 89 1HD1 ILE 89 -11.184 -3.653 -3.653 685 2HD1 ILE 89 3HD1 ILE 89 -10.706 -4.660 -4.660 686 3HD1 ILE 89 2HD1 ILE 89 -9.648 -4.521 -4.521 687 H THR 90 HN THR 90 -15.551 -6.405 -6.405 688 HA THR 90 HA THR 90 -16.996 -5.273 -5.273 689 HB THR 90 HB THR 90 -18.373 -7.518 -7.518 690 HG1 THR 90 1HG THR 90 -17.369 -9.045 -9.045 691 1HG2 THR 90 1HG2 THR 90 -18.443 -6.301 -6.301 692 2HG2 THR 90 3HG2 THR 90 -19.104 -7.908 -7.908 693 3HG2 THR 90 2HG2 THR 90 -19.750 -6.512 -6.512 694 H ILE 91 HN ILE 91 -17.786 -3.468 -3.468 695 HA ILE 91 HA ILE 91 -18.766 -3.488 -3.488 696 HB ILE 91 HB ILE 91 -18.260 -1.096 -1.096 697 1HG1 ILE 91 2HG1 ILE 91 -16.266 -0.847 -0.847 698 2HG1 ILE 91 1HG1 ILE 91 -16.494 -2.569 -2.569 699 1HG2 ILE 91 2HG2 ILE 91 -19.335 -1.471 -1.471 700 2HG2 ILE 91 1HG2 ILE 91 -18.067 -0.251 -0.251 701 3HG2 ILE 91 3HG2 ILE 91 -19.515 -0.120 -0.120 702 1HD1 ILE 91 3HD1 ILE 91 -16.195 -1.526 -1.526 703 2HD1 ILE 91 2HD1 ILE 91 -14.783 -1.801 -1.801 704 3HD1 ILE 91 1HD1 ILE 91 -15.865 -3.138 -3.138 705 H GLU 92 HN GLU 92 -20.872 -3.888 -3.888 706 HA GLU 92 HA GLU 92 -22.694 -2.794 -2.794 707 1HB GLU 92 2HB GLU 92 -23.391 -5.056 -5.056 708 2HB GLU 92 1HB GLU 92 -24.152 -4.613 -4.613 709 1HG GLU 92 2HG GLU 92 -22.800 -5.934 -5.934 710 2HG GLU 92 1HG GLU 92 -21.367 -5.258 -5.258 711 H TRP 93 HN TRP 93 -24.226 -1.386 -1.386 712 HA TRP 93 HA TRP 93 -24.968 -1.201 -1.201 713 1HB TRP 93 2HB TRP 93 -24.598 1.165 1.165 714 2HB TRP 93 1HB TRP 93 -23.107 0.427 0.427 715 HD1 TRP 93 1HD TRP 93 -25.678 2.996 2.996 716 HE1 TRP 93 1HE TRP 93 -25.089 4.037 4.037 717 HE3 TRP 93 3HE TRP 93 -22.013 -0.257 -0.257 718 HZ2 TRP 93 2HZ TRP 93 -23.309 3.548 3.548 719 HZ3 TRP 93 3HZ TRP 93 -20.919 0.100 0.100 720 HH2 TRP 93 2HH TRP 93 -21.554 1.964 1.964 721 H THR 94 HN THR 94 -26.994 -0.228 -0.228 722 HA THR 94 HA THR 94 -28.583 0.678 0.678 723 HB THR 94 HB THR 94 -28.748 -1.826 -1.826 724 HG1 THR 94 1HG THR 94 -30.793 -1.681 -1.681 725 1HG2 THR 94 3HG2 THR 94 -29.090 -1.602 -1.602 726 2HG2 THR 94 2HG2 THR 94 -30.684 -2.024 -2.024 727 3HG2 THR 94 1HG2 THR 94 -29.295 -3.049 -3.049 728 H ASN 95 HN ASN 95 -30.590 1.630 1.630 729 HA ASN 95 HA ASN 95 -30.489 3.195 3.195 730 1HB ASN 95 2HB ASN 95 -32.951 3.560 3.560 731 2HB ASN 95 1HB ASN 95 -31.933 3.829 3.829 732 1HD2 ASN 95 2HD2 ASN 95 -33.378 1.334 1.334 733 2HD2 ASN 95 1HD2 ASN 95 -32.142 2.530 2.530 734 H THR 96 HN THR 96 -31.712 3.176 3.176 735 HA THR 96 HA THR 96 -32.189 0.459 0.459 736 HB THR 96 HB THR 96 -32.296 1.963 1.963 737 HG1 THR 96 1HG THR 96 -31.890 3.878 3.878 738 1HG2 THR 96 2HG2 THR 96 -29.929 0.817 0.817 739 2HG2 THR 96 1HG2 THR 96 -29.738 1.682 1.682 740 3HG2 THR 96 3HG2 THR 96 -30.756 0.244 0.244 741 HA PRO 97 HA PRO 97 -36.596 1.041 1.041 742 1HB PRO 97 2HB PRO 97 -36.557 -0.720 -0.720 743 2HB PRO 97 1HB PRO 97 -37.465 -0.889 -0.889 744 1HG PRO 97 2HG PRO 97 -35.344 -2.421 -2.421 745 2HG PRO 97 1HG PRO 97 -35.654 -1.780 -1.780 746 1HD PRO 97 2HD PRO 97 -33.673 -0.878 -0.878 747 2HD PRO 97 1HD PRO 97 -33.506 -0.975 -0.975 748 H ASP 98 HN ASP 98 -38.301 1.967 1.967 749 HA ASP 98 HA ASP 98 -37.623 4.127 4.127 750 1HB ASP 98 2HB ASP 98 -40.209 2.572 2.572 751 2HB ASP 98 1HB ASP 98 -40.045 4.084 4.084 752 H GLY 99 HN GLY 99 -36.930 4.331 4.331 753 1HA GLY 99 2HA GLY 99 -36.589 3.909 3.909 754 2HA GLY 99 1HA GLY 99 -37.932 2.778 2.778 755 H ALA 100 HN ALA 100 -35.079 2.549 2.549 756 HA ALA 100 HA ALA 100 -34.629 -0.153 -0.153 757 1HB ALA 100 3HB ALA 100 -32.988 1.948 1.948 758 2HB ALA 100 2HB ALA 100 -32.346 0.329 0.329 759 3HB ALA 100 1HB ALA 100 -33.800 0.542 0.542 760 H ALA 101 HN ALA 101 -33.754 2.691 2.691 761 HA ALA 101 HA ALA 101 -32.718 2.961 2.961 762 1HB ALA 101 1HB ALA 101 -33.688 0.646 0.646 763 2HB ALA 101 3HB ALA 101 -32.080 0.031 0.031 764 3HB ALA 101 2HB ALA 101 -32.295 1.142 1.142 765 H LYS 102 HN LYS 102 -30.567 2.792 2.792 766 HA LYS 102 HA LYS 102 -28.535 3.032 3.032 767 1HB LYS 102 2HB LYS 102 -28.703 4.775 4.775 768 2HB LYS 102 1HB LYS 102 -28.397 3.578 3.578 769 1HG LYS 102 2HG LYS 102 -26.271 4.221 4.221 770 2HG LYS 102 1HG LYS 102 -26.245 3.235 3.235 771 1HD LYS 102 2HD LYS 102 -26.619 5.120 5.120 772 2HD LYS 102 1HD LYS 102 -27.036 6.139 6.139 773 1HE LYS 102 2HE LYS 102 -24.753 6.539 6.539 774 2HE LYS 102 1HE LYS 102 -24.783 6.131 6.131 775 1HZ LYS 102 2HZ LYS 102 -24.479 3.908 3.908 776 2HZ LYS 102 1HZ LYS 102 -23.164 4.965 4.965 777 3HZ LYS 102 3HZ LYS 102 -23.742 4.179 4.179 778 H GLN 103 HN GLN 103 -28.711 0.684 0.684 779 HA GLN 103 HA GLN 103 -26.461 -0.652 -0.652 780 1HB GLN 103 2HB GLN 103 -28.810 -0.927 -0.927 781 2HB GLN 103 1HB GLN 103 -28.559 -2.460 -2.460 782 1HG GLN 103 2HG GLN 103 -26.057 -1.969 -1.969 783 2HG GLN 103 1HG GLN 103 -26.990 -1.167 -1.167 784 1HE2 GLN 103 2HE2 GLN 103 -27.491 -4.135 -4.135 785 2HE2 GLN 103 1HE2 GLN 103 -27.182 -2.436 -2.436 786 H PHE 104 HN PHE 104 -25.772 -2.041 -2.041 787 HA PHE 104 HA PHE 104 -27.068 -2.391 -2.391 788 1HB PHE 104 2HB PHE 104 -24.641 -2.688 -2.688 789 2HB PHE 104 1HB PHE 104 -24.949 -4.160 -4.160 790 HD1 PHE 104 1HD PHE 104 -25.140 -2.610 -2.610 791 HD2 PHE 104 2HD PHE 104 -25.403 -6.213 -6.213 792 HE1 PHE 104 1HE PHE 104 -25.084 -3.913 -3.913 793 HE2 PHE 104 2HE PHE 104 -25.346 -7.523 -7.523 794 HZ PHE 104 HZ PHE 104 -25.185 -6.373 -6.373 795 H ARG 105 HN ARG 105 -28.090 -4.185 -4.185 796 HA ARG 105 HA ARG 105 -28.994 -6.321 -6.321 797 1HB ARG 105 2HB ARG 105 -30.645 -4.271 -4.271 798 2HB ARG 105 1HB ARG 105 -31.028 -5.071 -5.071 799 1HG ARG 105 2HG ARG 105 -32.318 -6.542 -6.542 800 2HG ARG 105 1HG ARG 105 -31.017 -6.978 -6.978 801 1HD ARG 105 2HD ARG 105 -33.017 -6.138 -6.138 802 2HD ARG 105 1HD ARG 105 -31.592 -5.141 -5.141 803 HE ARG 105 HE ARG 105 -32.957 -4.034 -4.034 804 1HH1 ARG 105 1HH2 ARG 105 -33.473 -4.613 -4.613 805 2HH1 ARG 105 2HH2 ARG 105 -34.529 -3.256 -3.256 806 1HH2 ARG 105 1HH1 ARG 105 -34.349 -2.245 -2.245 807 2HH2 ARG 105 2HH1 ARG 105 -35.028 -1.910 -1.910 808 H ARG 106 HN ARG 106 -29.807 -8.186 -8.186 809 HA ARG 106 HA ARG 106 -28.561 -8.519 -8.519 810 1HB ARG 106 2HB ARG 106 -28.278 -10.138 -10.138 811 2HB ARG 106 1HB ARG 106 -29.908 -10.681 -10.681 812 1HG ARG 106 2HG ARG 106 -29.133 -12.009 -12.009 813 2HG ARG 106 1HG ARG 106 -28.372 -10.640 -10.640 814 1HD ARG 106 2HD ARG 106 -26.358 -10.921 -10.921 815 2HD ARG 106 1HD ARG 106 -27.111 -11.992 -11.992 816 HE ARG 106 HE ARG 106 -27.241 -13.074 -13.074 817 1HH1 ARG 106 1HH2 ARG 106 -25.118 -12.592 -12.592 818 2HH1 ARG 106 2HH2 ARG 106 -24.115 -13.954 -13.954 819 1HH2 ARG 106 1HH1 ARG 106 -25.926 -14.869 -14.869 820 2HH2 ARG 106 2HH1 ARG 106 -24.575 -15.248 -15.248 821 H GLU 107 HN GLU 107 -31.175 -7.079 -7.079 822 HA GLU 107 HA GLU 107 -32.934 -8.762 -8.762 823 1HB GLU 107 2HB GLU 107 -33.411 -6.810 -6.810 824 2HB GLU 107 1HB GLU 107 -34.522 -6.707 -6.707 825 1HG GLU 107 2HG GLU 107 -35.437 -8.753 -8.753 826 2HG GLU 107 1HG GLU 107 -33.973 -9.380 -9.380 827 H TRP 108 HN TRP 108 -30.813 -6.197 -6.197 828 HA TRP 108 HA TRP 108 -32.352 -4.797 -4.797 829 1HB TRP 108 2HB TRP 108 -29.501 -4.249 -4.249 830 2HB TRP 108 1HB TRP 108 -30.615 -3.161 -3.161 831 HD1 TRP 108 1HD TRP 108 -33.091 -3.758 -3.758 832 HE1 TRP 108 1HE TRP 108 -33.005 -2.631 -2.631 833 HE3 TRP 108 3HE TRP 108 -28.081 -2.764 -2.764 834 HZ2 TRP 108 2HZ TRP 108 -31.068 -1.473 -1.473 835 HZ3 TRP 108 3HZ TRP 108 -27.192 -1.643 -1.643 836 HH2 TRP 108 2HH TRP 108 -28.656 -1.011 -1.011 837 H PHE 109 HN PHE 109 -31.214 -7.633 -7.633 838 HA PHE 109 HA PHE 109 -30.139 -7.239 -7.239 839 1HB PHE 109 2HB PHE 109 -28.727 -8.721 -8.721 840 2HB PHE 109 1HB PHE 109 -28.402 -9.051 -9.051 841 HD1 PHE 109 1HD PHE 109 -28.094 -6.597 -6.597 842 HD2 PHE 109 2HD PHE 109 -27.207 -7.477 -7.477 843 HE1 PHE 109 1HE PHE 109 -26.494 -4.729 -4.729 844 HE2 PHE 109 2HE PHE 109 -25.604 -5.611 -5.611 845 HZ PHE 109 HZ PHE 109 -25.246 -4.234 -4.234 846 H GLN 110 HN GLN 110 -32.617 -8.321 -8.321 847 HA GLN 110 HA GLN 110 -32.563 -11.064 -11.064 848 1HB GLN 110 2HB GLN 110 -34.777 -11.235 -11.235 849 2HB GLN 110 1HB GLN 110 -33.300 -11.143 -11.143 850 1HG GLN 110 2HG GLN 110 -33.783 -9.080 -9.080 851 2HG GLN 110 1HG GLN 110 -34.685 -8.601 -8.601 852 1HE2 GLN 110 2HE2 GLN 110 -37.454 -8.859 -8.859 853 2HE2 GLN 110 1HE2 GLN 110 -36.314 -7.792 -7.792 854 H GLY 111 HN GLY 111 -32.801 -8.578 -8.578 855 1HA GLY 111 2HA GLY 111 -33.880 -8.335 -8.335 856 2HA GLY 111 1HA GLY 111 -35.192 -9.351 -9.351 857 H ASP 112 HN ASP 112 -33.656 -6.228 -6.228 858 HA ASP 112 HA ASP 112 -36.336 -5.076 -5.076 859 1HB ASP 112 2HB ASP 112 -33.906 -4.950 -4.950 860 2HB ASP 112 1HB ASP 112 -34.655 -3.382 -3.382 861 H GLY 113 HN GLY 113 -36.845 -3.676 -3.676 862 1HA GLY 113 2HA GLY 113 -36.629 -2.196 -2.196 863 2HA GLY 113 1HA GLY 113 -35.419 -1.434 -1.434 864 H MET 114 HN MET 114 -33.279 -1.645 -1.645 865 HA MET 114 HA MET 114 -32.256 -3.629 -3.629 866 1HB MET 114 2HB MET 114 -31.539 -1.861 -1.861 867 2HB MET 114 1HB MET 114 -33.169 -2.514 -2.514 868 1HG MET 114 2HG MET 114 -34.094 -0.556 -0.556 869 2HG MET 114 1HG MET 114 -32.504 0.060 0.060 870 1HE MET 114 2HE MET 114 -34.898 -0.901 -0.901 871 2HE MET 114 1HE MET 114 -35.308 0.750 0.750 872 3HE MET 114 3HE MET 114 -34.658 0.420 0.420 873 H VAL 115 HN VAL 115 -30.414 -3.978 -3.978 874 HA VAL 115 HA VAL 115 -28.984 -1.836 -1.836 875 HB VAL 115 HB VAL 115 -28.099 -4.704 -4.704 876 1HG1 VAL 115 2HG1 VAL 115 -26.863 -2.438 -2.438 877 2HG1 VAL 115 1HG1 VAL 115 -27.380 -3.441 -3.441 878 3HG1 VAL 115 3HG1 VAL 115 -26.337 -4.118 -4.118 879 1HG2 VAL 115 2HG2 VAL 115 -30.446 -4.171 -4.171 880 2HG2 VAL 115 1HG2 VAL 115 -29.363 -5.363 -5.363 881 3HG2 VAL 115 3HG2 VAL 115 -29.455 -3.735 -3.735 882 H ARG 116 HN ARG 116 -26.983 -1.024 -1.024 883 HA ARG 116 HA ARG 116 -25.984 -1.766 -1.766 884 1HB ARG 116 2HB ARG 116 -26.947 0.686 0.686 885 2HB ARG 116 1HB ARG 116 -25.217 0.881 0.881 886 1HG ARG 116 2HG ARG 116 -26.445 -0.107 -0.107 887 2HG ARG 116 1HG ARG 116 -26.056 1.584 1.584 888 1HD ARG 116 2HD ARG 116 -23.714 1.006 1.006 889 2HD ARG 116 1HD ARG 116 -24.086 -0.699 -0.699 890 HE ARG 116 HE ARG 116 -24.989 0.433 0.433 891 1HH1 ARG 116 1HH2 ARG 116 -21.965 0.673 0.673 892 2HH1 ARG 116 2HH2 ARG 116 -21.029 0.950 0.950 893 1HH2 ARG 116 1HH1 ARG 116 -23.767 0.798 0.798 894 2HH2 ARG 116 2HH1 ARG 116 -22.054 1.021 1.021 895 H ARG 117 HN ARG 117 -23.990 -2.570 -2.570 896 HA ARG 117 HA ARG 117 -22.081 -1.849 -1.849 897 1HB ARG 117 2HB ARG 117 -21.361 -4.145 -4.145 898 2HB ARG 117 1HB ARG 117 -23.089 -4.040 -4.040 899 1HG ARG 117 2HG ARG 117 -22.553 -4.598 -4.598 900 2HG ARG 117 1HG ARG 117 -21.798 -5.790 -5.790 901 1HD ARG 117 2HD ARG 117 -24.497 -5.129 -5.129 902 2HD ARG 117 1HD ARG 117 -24.445 -5.744 -5.744 903 HE ARG 117 HE ARG 117 -24.040 -7.235 -7.235 904 1HH1 ARG 117 1HH2 ARG 117 -23.069 -6.999 -6.999 905 2HH1 ARG 117 2HH2 ARG 117 -22.664 -8.678 -8.678 906 1HH2 ARG 117 1HH1 ARG 117 -23.509 -9.447 -9.447 907 2HH2 ARG 117 2HH1 ARG 117 -22.914 -10.070 -10.070 908 H LYS 118 HN LYS 118 -19.865 -2.078 -2.078 909 HA LYS 118 HA LYS 118 -19.357 -2.385 -2.385 910 1HB LYS 118 2HB LYS 118 -17.784 -0.510 -0.510 911 2HB LYS 118 1HB LYS 118 -19.405 0.006 0.006 912 1HG LYS 118 2HG LYS 118 -18.219 -0.686 -0.686 913 2HG LYS 118 1HG LYS 118 -16.946 0.136 0.136 914 1HD LYS 118 2HD LYS 118 -19.724 1.260 1.260 915 2HD LYS 118 1HD LYS 118 -18.439 1.599 1.599 916 1HE LYS 118 2HE LYS 118 -17.133 2.711 2.711 917 2HE LYS 118 1HE LYS 118 -18.084 2.064 2.064 918 1HZ LYS 118 1HZ LYS 118 -19.366 3.800 3.800 919 2HZ LYS 118 3HZ LYS 118 -18.443 4.490 4.490 920 3HZ LYS 118 2HZ LYS 118 -19.789 3.539 3.539 921 H ASN 119 HN ASN 119 -17.587 -3.562 -3.562 922 HA ASN 119 HA ASN 119 -16.096 -4.743 -4.743 923 1HB ASN 119 2HB ASN 119 -16.298 -5.519 -5.519 924 2HB ASN 119 1HB ASN 119 -15.308 -6.366 -6.366 925 1HD2 ASN 119 2HD2 ASN 119 -19.383 -6.680 -6.680 926 2HD2 ASN 119 1HD2 ASN 119 -18.627 -5.324 -5.324 927 H LEU 120 HN LEU 120 -14.037 -4.287 -4.287 928 HA LEU 120 HA LEU 120 -12.557 -2.630 -2.630 929 1HB LEU 120 2HB LEU 120 -12.234 -2.829 -2.829 930 2HB LEU 120 1HB LEU 120 -11.260 -1.827 -1.827 931 HG LEU 120 HG LEU 120 -14.239 -1.507 -1.507 932 1HD1 LEU 120 2HD1 LEU 120 -12.680 -1.047 -1.047 933 2HD1 LEU 120 1HD1 LEU 120 -12.176 0.366 0.366 934 3HD1 LEU 120 3HD1 LEU 120 -13.868 0.171 0.171 935 1HD2 LEU 120 3HD2 LEU 120 -12.658 -0.649 -0.649 936 2HD2 LEU 120 2HD2 LEU 120 -14.170 0.104 0.104 937 3HD2 LEU 120 1HD2 LEU 120 -12.631 0.734 0.734 938 HA PRO 121 HA PRO 121 -10.330 -6.600 -6.600 939 1HB PRO 121 2HB PRO 121 -8.795 -4.749 -4.749 940 2HB PRO 121 1HB PRO 121 -9.355 -6.396 -6.396 941 1HG PRO 121 2HG PRO 121 -10.620 -4.315 -4.315 942 2HG PRO 121 1HG PRO 121 -11.526 -5.712 -5.712 943 1HD PRO 121 2HD PRO 121 -11.181 -3.003 -3.003 944 2HD PRO 121 1HD PRO 121 -12.579 -4.096 -4.096 945 H ILE 122 HN ILE 122 -8.341 -7.324 -7.324 946 HA ILE 122 HA ILE 122 -6.832 -5.392 -5.392 947 HB ILE 122 HB ILE 122 -6.768 -8.412 -8.412 948 1HG1 ILE 122 2HG1 ILE 122 -8.929 -7.427 -7.427 949 2HG1 ILE 122 1HG1 ILE 122 -8.068 -8.219 -8.219 950 1HG2 ILE 122 3HG2 ILE 122 -5.451 -6.301 -6.301 951 2HG2 ILE 122 2HG2 ILE 122 -5.630 -7.979 -7.979 952 3HG2 ILE 122 1HG2 ILE 122 -4.684 -7.595 -7.595 953 1HD1 ILE 122 2HD1 ILE 122 -7.187 -5.630 -5.630 954 2HD1 ILE 122 1HD1 ILE 122 -8.874 -5.446 -5.446 955 3HD1 ILE 122 3HD1 ILE 122 -8.464 -6.358 -6.358 956 H GLU 123 HN GLU 123 -4.557 -5.307 -5.307 957 HA GLU 123 HA GLU 123 -3.298 -6.632 -6.632 958 1HB GLU 123 2HB GLU 123 -3.458 -3.718 -3.718 959 2HB GLU 123 1HB GLU 123 -1.959 -4.335 -4.335 960 1HG GLU 123 2HG GLU 123 -3.316 -5.339 -5.339 961 2HG GLU 123 1HG GLU 123 -4.708 -4.468 -4.468 962 H TYR 124 HN TYR 124 -0.980 -6.803 -6.803 963 HA TYR 124 HA TYR 124 0.040 -6.624 -6.624 964 1HB TYR 124 2HB TYR 124 0.628 -8.796 -8.796 965 2HB TYR 124 1HB TYR 124 1.332 -8.677 -8.677 966 HD1 TYR 124 1HD TYR 124 -1.875 -9.145 -9.145 967 HD2 TYR 124 2HD TYR 124 0.221 -9.573 -9.573 968 HE1 TYR 124 1HE TYR 124 -3.749 -10.451 -10.451 969 HE2 TYR 124 2HE TYR 124 -1.647 -10.881 -10.881 970 HH TYR 124 HH TYR 124 -4.603 -10.893 -10.893 971 H ASN 125 HN ASN 125 1.397 -4.936 -4.936 972 HA ASN 125 HA ASN 125 3.077 -4.442 -4.442 973 1HB ASN 125 2HB ASN 125 1.876 -2.756 -2.756 974 2HB ASN 125 1HB ASN 125 3.506 -2.830 -2.830 975 1HD2 ASN 125 2HD2 ASN 125 4.512 -0.361 -0.361 976 2HD2 ASN 125 1HD2 ASN 125 4.434 -0.986 -0.986 977 H LEU 126 HN LEU 126 4.338 -6.382 -6.382 978 HA LEU 126 HA LEU 126 5.967 -6.907 -6.907 979 1HB LEU 126 2HB LEU 126 5.995 -7.953 -7.953 980 2HB LEU 126 1HB LEU 126 7.153 -8.473 -8.473 981 HG LEU 126 HG LEU 126 4.187 -8.733 -8.733 982 1HD1 LEU 126 1HD1 LEU 126 4.807 -9.911 -9.911 983 2HD1 LEU 126 3HD1 LEU 126 6.037 -10.803 -10.803 984 3HD1 LEU 126 2HD1 LEU 126 4.330 -11.016 -11.016 985 1HD2 LEU 126 2HD2 LEU 126 5.638 -8.881 -8.881 986 2HD2 LEU 126 1HD2 LEU 126 4.861 -10.424 -10.424 987 3HD2 LEU 126 3HD2 LEU 126 6.555 -10.169 -10.169 988 1H ALA 1 2HN ALA 1 45.760 -6.274 -6.274 989 2H ALA 1 1HN ALA 1 45.998 -6.335 -6.335 990 3H ALA 1 3HN ALA 1 46.421 -4.923 -4.923 991 HA ALA 1 HA ALA 1 44.439 -4.468 -4.468 992 1HB ALA 1 2HB ALA 1 43.952 -6.973 -6.973 993 2HB ALA 1 1HB ALA 1 43.136 -6.852 -6.852 994 3HB ALA 1 3HB ALA 1 42.584 -5.878 -5.878 995 H GLN 2 HN GLN 2 42.242 -3.895 -3.895 996 HA GLN 2 HA GLN 2 42.191 -3.814 -3.814 997 1HB GLN 2 2HB GLN 2 43.779 -1.867 -1.867 998 2HB GLN 2 1HB GLN 2 42.251 -1.041 -1.041 999 1HG GLN 2 2HG GLN 2 43.596 -0.670 -0.670 1000 2HG GLN 2 1HG GLN 2 42.339 -1.817 -1.817 1001 1HE2 GLN 2 2HE2 GLN 2 44.523 -4.417 -4.417 1002 2HE2 GLN 2 1HE2 GLN 2 42.890 -3.906 -3.906 1003 H SER 3 HN SER 3 40.447 -2.073 -2.073 1004 HA SER 3 HA SER 3 38.252 -1.478 -1.478 1005 1HB SER 3 2HB SER 3 37.511 -0.329 -0.329 1006 2HB SER 3 1HB SER 3 39.240 -0.365 -0.365 1007 HG SER 3 HG SER 3 37.282 -1.326 -1.326 1008 H VAL 4 HN VAL 4 36.234 -2.433 -2.433 1009 HA VAL 4 HA VAL 4 35.816 -4.816 -4.816 1010 HB VAL 4 HB VAL 4 36.892 -5.716 -5.716 1011 1HG1 VAL 4 3HG1 VAL 4 35.735 -3.704 -3.704 1012 2HG1 VAL 4 2HG1 VAL 4 34.650 -5.031 -5.031 1013 3HG1 VAL 4 1HG1 VAL 4 36.376 -5.162 -5.162 1014 1HG2 VAL 4 3HG2 VAL 4 33.946 -6.283 -6.283 1015 2HG2 VAL 4 2HG2 VAL 4 35.286 -7.144 -7.144 1016 3HG2 VAL 4 1HG2 VAL 4 35.042 -7.253 -7.253 1017 HA PRO 5 HA PRO 5 31.742 -3.058 -3.058 1018 1HB PRO 5 2HB PRO 5 30.373 -5.194 -5.194 1019 2HB PRO 5 1HB PRO 5 31.407 -4.173 -4.173 1020 1HG PRO 5 2HG PRO 5 32.011 -6.825 -6.825 1021 2HG PRO 5 1HG PRO 5 32.379 -6.254 -6.254 1022 1HD PRO 5 2HD PRO 5 34.234 -6.286 -6.286 1023 2HD PRO 5 1HD PRO 5 34.213 -5.036 -5.036 1024 HA PRO 6 HA PRO 6 30.009 -4.483 -4.483 1025 1HB PRO 6 2HB PRO 6 27.693 -3.093 -3.093 1026 2HB PRO 6 1HB PRO 6 29.255 -2.321 -2.321 1027 1HG PRO 6 2HG PRO 6 27.659 -2.451 -2.451 1028 2HG PRO 6 1HG PRO 6 28.525 -1.074 -1.074 1029 1HD PRO 6 2HD PRO 6 29.535 -2.577 -2.577 1030 2HD PRO 6 1HD PRO 6 30.557 -1.769 -1.769 1031 H GLY 7 HN GLY 7 28.762 -6.166 -6.166 1032 1HA GLY 7 2HA GLY 7 27.615 -7.910 -7.910 1033 2HA GLY 7 1HA GLY 7 27.277 -7.913 -7.913 1034 H ASP 8 HN ASP 8 25.967 -7.515 -7.515 1035 HA ASP 8 HA ASP 8 24.064 -5.557 -5.557 1036 1HB ASP 8 2HB ASP 8 22.647 -7.032 -7.032 1037 2HB ASP 8 1HB ASP 8 24.309 -6.848 -6.848 1038 H ILE 9 HN ILE 9 22.070 -5.280 -5.280 1039 HA ILE 9 HA ILE 9 21.241 -7.323 -7.323 1040 HB ILE 9 HB ILE 9 20.293 -5.567 -5.567 1041 1HG1 ILE 9 2HG1 ILE 9 21.497 -3.294 -3.294 1042 2HG1 ILE 9 1HG1 ILE 9 20.261 -4.082 -4.082 1043 1HG2 ILE 9 1HG2 ILE 9 22.700 -6.188 -6.188 1044 2HG2 ILE 9 3HG2 ILE 9 23.098 -4.778 -4.778 1045 3HG2 ILE 9 2HG2 ILE 9 22.306 -4.570 -4.570 1046 1HD1 ILE 9 2HD1 ILE 9 18.689 -3.856 -3.856 1047 2HD1 ILE 9 1HD1 ILE 9 19.930 -2.968 -2.968 1048 3HD1 ILE 9 3HD1 ILE 9 19.272 -2.309 -2.309 1049 H ASN 10 HN ASN 10 19.050 -7.785 -7.785 1050 HA ASN 10 HA ASN 10 17.437 -7.133 -7.133 1051 1HB ASN 10 2HB ASN 10 17.624 -9.389 -9.389 1052 2HB ASN 10 1HB ASN 10 15.960 -8.885 -8.885 1053 1HD2 ASN 10 1HD2 ASN 10 18.110 -11.030 -11.030 1054 2HD2 ASN 10 2HD2 ASN 10 17.672 -11.216 -11.216 1055 H THR 11 HN THR 11 15.403 -6.183 -6.183 1056 HA THR 11 HA THR 11 14.545 -5.200 -5.200 1057 HB THR 11 HB THR 11 13.915 -3.054 -3.054 1058 HG1 THR 11 1HG THR 11 15.254 -2.741 -2.741 1059 1HG2 THR 11 1HG2 THR 11 15.308 -3.181 -3.181 1060 2HG2 THR 11 3HG2 THR 11 16.707 -3.291 -3.291 1061 3HG2 THR 11 2HG2 THR 11 15.662 -1.872 -1.872 1062 H GLN 12 HN GLN 12 12.357 -4.937 -4.937 1063 HA GLN 12 HA GLN 12 10.633 -5.601 -5.601 1064 1HB GLN 12 2HB GLN 12 10.653 -6.865 -6.865 1065 2HB GLN 12 1HB GLN 12 9.205 -6.870 -6.870 1066 1HG GLN 12 2HG GLN 12 11.870 -8.072 -8.072 1067 2HG GLN 12 1HG GLN 12 10.411 -8.946 -8.946 1068 1HE2 GLN 12 2HE2 GLN 12 8.884 -8.738 -8.738 1069 2HE2 GLN 12 1HE2 GLN 12 8.690 -9.072 -9.072 1070 HA PRO 13 HA PRO 13 9.028 -4.740 -4.740 1071 1HB PRO 13 2HB PRO 13 8.876 -2.260 -2.260 1072 2HB PRO 13 1HB PRO 13 7.477 -3.144 -3.144 1073 1HG PRO 13 2HG PRO 13 9.068 -0.966 -0.966 1074 2HG PRO 13 1HG PRO 13 7.310 -1.194 -1.194 1075 1HD PRO 13 2HD PRO 13 8.760 -1.850 -1.850 1076 2HD PRO 13 1HD PRO 13 7.352 -2.808 -2.808 1077 H SER 14 HN SER 14 10.385 -4.487 -4.487 1078 HA SER 14 HA SER 14 13.048 -3.425 -3.425 1079 1HB SER 14 2HB SER 14 13.330 -5.227 -5.227 1080 2HB SER 14 1HB SER 14 13.799 -5.486 -5.486 1081 HG SER 14 HG SER 14 12.275 -7.042 -7.042 1082 H GLN 15 HN GLN 15 10.420 -3.274 -3.274 1083 HA GLN 15 HA GLN 15 12.033 -1.895 -1.895 1084 1HB GLN 15 2HB GLN 15 9.845 -3.628 -3.628 1085 2HB GLN 15 1HB GLN 15 9.207 -2.047 -2.047 1086 1HG GLN 15 2HG GLN 15 9.881 -2.975 -2.975 1087 2HG GLN 15 1HG GLN 15 11.185 -1.869 -1.869 1088 1HE2 GLN 15 2HE2 GLN 15 13.622 -4.302 -4.302 1089 2HE2 GLN 15 1HE2 GLN 15 13.177 -2.632 -2.632 1090 H LYS 16 HN LYS 16 9.094 -1.384 -1.384 1091 HA LYS 16 HA LYS 16 9.689 1.293 1.293 1092 1HB LYS 16 2HB LYS 16 7.977 2.434 2.434 1093 2HB LYS 16 1HB LYS 16 9.263 1.737 1.737 1094 1HG LYS 16 2HG LYS 16 7.898 0.163 0.163 1095 2HG LYS 16 1HG LYS 16 6.813 0.121 0.121 1096 1HD LYS 16 2HD LYS 16 5.430 1.501 1.501 1097 2HD LYS 16 1HD LYS 16 6.694 2.732 2.732 1098 1HE LYS 16 2HE LYS 16 6.582 2.578 2.578 1099 2HE LYS 16 1HE LYS 16 7.459 1.061 1.061 1100 1HZ LYS 16 2HZ LYS 16 4.671 0.688 0.688 1101 2HZ LYS 16 1HZ LYS 16 4.964 1.399 1.399 1102 3HZ LYS 16 3HZ LYS 16 5.704 -0.069 -0.069 1103 H ILE 17 HN ILE 17 8.105 2.285 2.285 1104 HA ILE 17 HA ILE 17 6.130 0.376 0.376 1105 HB ILE 17 HB ILE 17 7.814 1.160 1.160 1106 1HG1 ILE 17 2HG1 ILE 17 5.221 2.459 2.459 1107 2HG1 ILE 17 1HG1 ILE 17 5.301 0.717 0.717 1108 1HG2 ILE 17 2HG2 ILE 17 7.105 3.735 3.735 1109 2HG2 ILE 17 1HG2 ILE 17 7.086 3.742 3.742 1110 3HG2 ILE 17 3HG2 ILE 17 8.543 3.251 3.251 1111 1HD1 ILE 17 1HD1 ILE 17 7.475 1.420 1.420 1112 2HD1 ILE 17 3HD1 ILE 17 6.049 2.244 2.244 1113 3HD1 ILE 17 2HD1 ILE 17 6.035 0.493 0.493 1114 H VAL 18 HN VAL 18 4.031 1.130 1.130 1115 HA VAL 18 HA VAL 18 3.229 3.695 3.695 1116 HB VAL 18 HB VAL 18 2.697 1.982 1.982 1117 1HG1 VAL 18 2HG1 VAL 18 2.399 0.232 0.232 1118 2HG1 VAL 18 1HG1 VAL 18 0.707 0.713 0.713 1119 3HG1 VAL 18 3HG1 VAL 18 1.544 0.047 0.047 1120 1HG2 VAL 18 1HG2 VAL 18 1.061 3.943 3.943 1121 2HG2 VAL 18 3HG2 VAL 18 0.688 2.882 2.882 1122 3HG2 VAL 18 2HG2 VAL 18 0.006 2.549 2.549 1123 H PHE 19 HN PHE 19 2.748 4.736 4.736 1124 HA PHE 19 HA PHE 19 1.539 3.567 3.567 1125 1HB PHE 19 2HB PHE 19 1.653 6.453 6.453 1126 2HB PHE 19 1HB PHE 19 1.074 5.933 5.933 1127 HD1 PHE 19 2HD PHE 19 3.024 3.809 3.809 1128 HD2 PHE 19 1HD PHE 19 3.583 7.652 7.652 1129 HE1 PHE 19 2HE PHE 19 5.329 3.857 3.857 1130 HE2 PHE 19 1HE PHE 19 5.890 7.708 7.708 1131 HZ PHE 19 HZ PHE 19 6.765 5.809 5.809 1132 H ASN 20 HN ASN 20 -0.428 2.727 2.727 1133 HA ASN 20 HA ASN 20 -2.478 3.424 3.424 1134 1HB ASN 20 2HB ASN 20 -2.035 1.121 1.121 1135 2HB ASN 20 1HB ASN 20 -2.879 1.747 1.747 1136 1HD2 ASN 20 2HD2 ASN 20 -6.057 1.448 1.448 1137 2HD2 ASN 20 1HD2 ASN 20 -5.067 2.008 2.008 1138 H ALA 21 HN ALA 21 -4.371 4.521 4.521 1139 HA ALA 21 HA ALA 21 -4.377 6.581 6.581 1140 1HB ALA 21 3HB ALA 21 -5.947 5.814 5.814 1141 2HB ALA 21 2HB ALA 21 -6.991 6.320 6.320 1142 3HB ALA 21 1HB ALA 21 -5.736 7.405 7.405 1143 HA PRO 22 HA PRO 22 -6.760 7.714 7.714 1144 1HB PRO 22 2HB PRO 22 -7.212 8.398 8.398 1145 2HB PRO 22 1HB PRO 22 -8.344 8.449 8.449 1146 1HG PRO 22 2HG PRO 22 -8.560 6.666 6.666 1147 2HG PRO 22 1HG PRO 22 -9.094 6.314 6.314 1148 1HD PRO 22 2HD PRO 22 -6.569 5.494 5.494 1149 2HD PRO 22 1HD PRO 22 -7.629 4.542 4.542 1150 H TYR 23 HN TYR 23 -5.836 9.811 9.811 1151 HA TYR 23 HA TYR 23 -3.167 9.508 9.508 1152 1HB TYR 23 2HB TYR 23 -4.103 11.481 11.481 1153 2HB TYR 23 1HB TYR 23 -2.475 11.400 11.400 1154 HD1 TYR 23 2HD TYR 23 -2.306 8.362 8.362 1155 HD2 TYR 23 1HD TYR 23 -3.551 11.038 11.038 1156 HE1 TYR 23 2HE TYR 23 -1.687 6.699 6.699 1157 HE2 TYR 23 1HE TYR 23 -2.935 9.378 9.378 1158 HH TYR 23 HH TYR 23 -2.630 6.353 6.353 1159 H ASP 24 HN ASP 24 -5.563 10.032 10.032 1160 HA ASP 24 HA ASP 24 -4.986 12.750 12.750 1161 1HB ASP 24 2HB ASP 24 -7.313 12.220 12.220 1162 2HB ASP 24 1HB ASP 24 -7.586 11.325 11.325 1163 H ASP 25 HN ASP 25 -4.225 9.706 9.706 1164 HA ASP 25 HA ASP 25 -4.254 10.222 10.222 1165 1HB ASP 25 2HB ASP 25 -5.994 8.440 8.440 1166 2HB ASP 25 1HB ASP 25 -4.597 7.395 7.395 1167 H LYS 26 HN LYS 26 -2.540 9.280 9.280 1168 HA LYS 26 HA LYS 26 -0.100 9.108 9.108 1169 1HB LYS 26 2HB LYS 26 -0.601 8.215 8.215 1170 2HB LYS 26 1HB LYS 26 0.936 8.691 8.691 1171 1HG LYS 26 2HG LYS 26 0.388 10.941 10.941 1172 2HG LYS 26 1HG LYS 26 -1.345 10.621 10.621 1173 1HD LYS 26 2HD LYS 26 -0.126 9.469 9.469 1174 2HD LYS 26 1HD LYS 26 0.503 11.109 11.109 1175 1HE LYS 26 2HE LYS 26 -2.234 11.309 11.309 1176 2HE LYS 26 1HE LYS 26 -2.100 10.219 10.219 1177 1HZ LYS 26 1HZ LYS 26 -0.352 12.249 12.249 1178 2HZ LYS 26 3HZ LYS 26 -1.690 13.038 13.038 1179 3HZ LYS 26 2HZ LYS 26 -1.888 12.040 12.040 1180 H HIS 27 HN HIS 27 0.326 7.454 7.454 1181 HA HIS 27 HA HIS 27 -0.358 4.735 4.735 1182 1HB HIS 27 2HB HIS 27 0.216 5.777 5.777 1183 2HB HIS 27 1HB HIS 27 -0.145 4.100 4.100 1184 HD1 HIS 27 1HD HIS 27 -2.638 3.822 3.822 1185 HD2 HIS 27 2HD HIS 27 -1.938 7.216 7.216 1186 HE1 HIS 27 1HE HIS 27 -4.910 4.776 4.776 1187 H THR 28 HN THR 28 1.188 3.190 3.190 1188 HA THR 28 HA THR 28 3.971 4.055 4.055 1189 HB THR 28 HB THR 28 3.398 1.793 1.793 1190 HG1 THR 28 1HG THR 28 2.336 2.919 2.919 1191 1HG2 THR 28 2HG2 THR 28 5.394 3.958 3.958 1192 2HG2 THR 28 1HG2 THR 28 5.007 3.385 3.385 1193 3HG2 THR 28 3HG2 THR 28 5.604 2.255 2.255 1194 H TYR 29 HN TYR 29 4.827 3.141 3.141 1195 HA TYR 29 HA TYR 29 3.992 0.422 0.422 1196 1HB TYR 29 2HB TYR 29 5.301 2.603 2.603 1197 2HB TYR 29 1HB TYR 29 4.993 0.974 0.974 1198 HD1 TYR 29 1HD TYR 29 3.296 3.993 3.993 1199 HD2 TYR 29 2HD TYR 29 2.915 0.423 0.423 1200 HE1 TYR 29 1HE TYR 29 1.035 4.677 4.677 1201 HE2 TYR 29 2HE TYR 29 0.652 1.096 1.096 1202 HH TYR 29 HH TYR 29 -1.161 3.207 3.207 1203 H HIS 30 HN HIS 30 5.303 -1.059 -1.059 1204 HA HIS 30 HA HIS 30 8.061 -0.498 -0.498 1205 1HB HIS 30 2HB HIS 30 6.250 -2.853 -2.853 1206 2HB HIS 30 1HB HIS 30 7.990 -3.057 -3.057 1207 HD1 HIS 30 1HD HIS 30 5.611 -0.360 -0.360 1208 HD2 HIS 30 2HD HIS 30 8.548 -2.998 -2.998 1209 HE1 HIS 30 1HE HIS 30 5.912 0.070 0.070 1210 H ILE 31 HN ILE 31 9.872 -1.579 -1.579 1211 HA ILE 31 HA ILE 31 9.465 -2.844 -2.844 1212 HB ILE 31 HB ILE 31 11.778 -1.035 -1.035 1213 1HG1 ILE 31 2HG1 ILE 31 9.645 0.220 0.220 1214 2HG1 ILE 31 1HG1 ILE 31 10.739 0.648 0.648 1215 1HG2 ILE 31 3HG2 ILE 31 12.191 -2.801 -2.801 1216 2HG2 ILE 31 2HG2 ILE 31 10.891 -2.118 -2.118 1217 3HG2 ILE 31 1HG2 ILE 31 12.337 -1.164 -1.164 1218 1HD1 ILE 31 3HD1 ILE 31 8.954 -1.510 -1.510 1219 2HD1 ILE 31 2HD1 ILE 31 8.087 -0.058 -0.058 1220 3HD1 ILE 31 1HD1 ILE 31 9.269 0.026 0.026 1221 H LYS 32 HN LYS 32 10.977 -4.461 -4.461 1222 HA LYS 32 HA LYS 32 12.361 -5.629 -5.629 1223 1HB LYS 32 2HB LYS 32 10.574 -6.949 -6.949 1224 2HB LYS 32 1HB LYS 32 11.671 -7.018 -7.018 1225 1HG LYS 32 2HG LYS 32 13.087 -8.481 -8.481 1226 2HG LYS 32 1HG LYS 32 12.688 -7.907 -7.907 1227 1HD LYS 32 2HD LYS 32 10.729 -9.420 -9.420 1228 2HD LYS 32 1HD LYS 32 11.859 -10.227 -10.227 1229 1HE LYS 32 2HE LYS 32 9.908 -8.102 -8.102 1230 2HE LYS 32 1HE LYS 32 9.580 -9.831 -9.831 1231 1HZ LYS 32 2HZ LYS 32 11.987 -9.585 -9.585 1232 2HZ LYS 32 1HZ LYS 32 11.175 -8.188 -8.188 1233 3HZ LYS 32 3HZ LYS 32 10.494 -9.711 -9.711 1234 H ILE 33 HN ILE 33 14.487 -5.480 -5.480 1235 HA ILE 33 HA ILE 33 16.000 -5.275 -5.275 1236 HB ILE 33 HB ILE 33 16.798 -4.017 -4.017 1237 1HG1 ILE 33 2HG1 ILE 33 15.771 -2.572 -2.572 1238 2HG1 ILE 33 1HG1 ILE 33 14.720 -3.038 -3.038 1239 1HG2 ILE 33 3HG2 ILE 33 17.981 -4.097 -4.097 1240 2HG2 ILE 33 2HG2 ILE 33 18.279 -2.712 -2.712 1241 3HG2 ILE 33 1HG2 ILE 33 18.759 -4.329 -4.329 1242 1HD1 ILE 33 1HD1 ILE 33 16.713 -1.751 -1.751 1243 2HD1 ILE 33 3HD1 ILE 33 16.654 -0.857 -0.857 1244 3HD1 ILE 33 2HD1 ILE 33 15.203 -1.007 -1.007 1245 H THR 34 HN THR 34 17.561 -6.752 -6.752 1246 HA THR 34 HA THR 34 18.661 -8.154 -8.154 1247 HB THR 34 HB THR 34 17.424 -9.486 -9.486 1248 HG1 THR 34 1HG THR 34 16.178 -10.506 -10.506 1249 1HG2 THR 34 1HG2 THR 34 19.548 -10.595 -10.595 1250 2HG2 THR 34 3HG2 THR 34 18.843 -10.859 -10.859 1251 3HG2 THR 34 2HG2 THR 34 18.110 -11.601 -11.601 1252 H ASN 35 HN ASN 35 20.669 -9.221 -9.221 1253 HA ASN 35 HA ASN 35 22.227 -7.888 -7.888 1254 1HB ASN 35 2HB ASN 35 23.046 -7.916 -7.916 1255 2HB ASN 35 1HB ASN 35 23.164 -9.671 -9.671 1256 1HD2 ASN 35 2HD2 ASN 35 25.692 -7.541 -7.541 1257 2HD2 ASN 35 1HD2 ASN 35 24.042 -7.063 -7.063 1258 H ALA 36 HN ALA 36 22.422 -8.851 -8.851 1259 HA ALA 36 HA ALA 36 22.121 -11.739 -11.739 1260 1HB ALA 36 2HB ALA 36 21.168 -9.769 -9.769 1261 2HB ALA 36 1HB ALA 36 22.667 -10.125 -10.125 1262 3HB ALA 36 3HB ALA 36 21.480 -11.401 -11.401 1263 H GLY 37 HN GLY 37 24.589 -10.240 -10.240 1264 1HA GLY 37 2HA GLY 37 26.537 -11.505 -11.505 1265 2HA GLY 37 1HA GLY 37 26.864 -10.027 -10.027 1266 H GLY 38 HN GLY 38 28.582 -10.696 -10.696 1267 1HA GLY 38 2HA GLY 38 27.962 -12.574 -12.574 1268 2HA GLY 38 1HA GLY 38 29.329 -12.968 -12.968 1269 H ARG 39 HN ARG 39 28.150 -9.935 -9.935 1270 HA ARG 39 HA ARG 39 30.214 -9.726 -9.726 1271 1HB ARG 39 2HB ARG 39 30.899 -8.908 -8.908 1272 2HB ARG 39 1HB ARG 39 30.990 -7.547 -7.547 1273 1HG ARG 39 2HG ARG 39 32.656 -8.529 -8.529 1274 2HG ARG 39 1HG ARG 39 32.285 -10.151 -10.151 1275 1HD ARG 39 2HD ARG 39 34.301 -9.526 -9.526 1276 2HD ARG 39 1HD ARG 39 33.042 -9.360 -9.360 1277 HE ARG 39 HE ARG 39 33.261 -6.880 -6.880 1278 1HH1 ARG 39 1HH2 ARG 39 35.412 -9.074 -9.074 1279 2HH1 ARG 39 2HH2 ARG 39 36.408 -7.817 -7.817 1280 1HH2 ARG 39 1HH1 ARG 39 34.565 -5.215 -5.215 1281 2HH2 ARG 39 2HH1 ARG 39 35.927 -5.622 -5.622 1282 H ARG 40 HN ARG 40 30.295 -7.520 -7.520 1283 HA ARG 40 HA ARG 40 27.640 -6.539 -6.539 1284 1HB ARG 40 2HB ARG 40 30.270 -5.417 -5.417 1285 2HB ARG 40 1HB ARG 40 28.678 -4.920 -4.920 1286 1HG ARG 40 2HG ARG 40 28.461 -6.690 -6.690 1287 2HG ARG 40 1HG ARG 40 29.187 -7.799 -7.799 1288 1HD ARG 40 2HD ARG 40 30.741 -5.816 -5.816 1289 2HD ARG 40 1HD ARG 40 30.504 -7.506 -7.506 1290 HE ARG 40 HE ARG 40 32.293 -6.470 -6.470 1291 1HH1 ARG 40 1HH2 ARG 40 30.511 -9.252 -9.252 1292 2HH1 ARG 40 2HH2 ARG 40 31.550 -10.391 -10.391 1293 1HH2 ARG 40 1HH1 ARG 40 33.666 -7.960 -7.960 1294 2HH2 ARG 40 2HH1 ARG 40 33.345 -9.656 -9.656 1295 H ILE 41 HN ILE 41 26.675 -4.732 -4.732 1296 HA ILE 41 HA ILE 41 28.268 -2.879 -2.879 1297 HB ILE 41 HB ILE 41 26.294 -2.844 -2.844 1298 1HG1 ILE 41 2HG1 ILE 41 25.869 -5.698 -5.698 1299 2HG1 ILE 41 1HG1 ILE 41 25.054 -4.465 -4.465 1300 1HG2 ILE 41 3HG2 ILE 41 28.555 -3.708 -3.708 1301 2HG2 ILE 41 2HG2 ILE 41 28.036 -5.302 -5.302 1302 3HG2 ILE 41 1HG2 ILE 41 27.281 -4.565 -4.565 1303 1HD1 ILE 41 2HD1 ILE 41 24.837 -4.784 -4.784 1304 2HD1 ILE 41 1HD1 ILE 41 23.644 -5.319 -5.319 1305 3HD1 ILE 41 3HD1 ILE 41 23.983 -3.599 -3.599 1306 H GLY 42 HN GLY 42 27.955 -0.925 -0.925 1307 1HA GLY 42 2HA GLY 42 25.714 -0.290 -0.290 1308 2HA GLY 42 1HA GLY 42 26.953 0.833 0.833 1309 H TRP 43 HN TRP 43 23.750 0.318 0.318 1310 HA TRP 43 HA TRP 43 23.435 1.487 1.487 1311 1HB TRP 43 2HB TRP 43 21.156 0.572 0.572 1312 2HB TRP 43 1HB TRP 43 22.356 -0.697 -0.697 1313 HD1 TRP 43 1HD TRP 43 22.660 -1.587 -1.587 1314 HE1 TRP 43 1HE TRP 43 20.853 -1.886 -1.886 1315 HE3 TRP 43 3HE TRP 43 19.022 1.412 1.412 1316 HZ2 TRP 43 2HZ TRP 43 18.234 -0.971 -0.971 1317 HZ3 TRP 43 3HZ TRP 43 16.896 1.646 1.646 1318 HH2 TRP 43 2HH TRP 43 16.510 0.478 0.478 1319 H ALA 44 HN ALA 44 21.732 3.043 3.043 1320 HA ALA 44 HA ALA 44 20.629 4.339 4.339 1321 1HB ALA 44 3HB ALA 44 22.746 5.631 5.631 1322 2HB ALA 44 2HB ALA 44 21.568 6.584 6.584 1323 3HB ALA 44 1HB ALA 44 22.664 5.498 5.498 1324 H ILE 45 HN ILE 45 18.728 5.324 5.324 1325 HA ILE 45 HA ILE 45 17.787 5.168 5.168 1326 HB ILE 45 HB ILE 45 16.213 5.864 5.864 1327 1HG1 ILE 45 2HG1 ILE 45 17.139 3.627 3.627 1328 2HG1 ILE 45 1HG1 ILE 45 15.413 3.519 3.519 1329 1HG2 ILE 45 1HG2 ILE 45 15.545 5.489 5.489 1330 2HG2 ILE 45 3HG2 ILE 45 14.405 4.860 4.860 1331 3HG2 ILE 45 2HG2 ILE 45 14.835 6.570 6.570 1332 1HD1 ILE 45 3HD1 ILE 45 16.496 3.410 3.410 1333 2HD1 ILE 45 2HD1 ILE 45 17.682 2.537 2.537 1334 3HD1 ILE 45 1HD1 ILE 45 15.995 2.023 2.023 1335 H LYS 46 HN LYS 46 17.067 6.886 6.886 1336 HA LYS 46 HA LYS 46 16.998 9.546 9.546 1337 1HB LYS 46 2HB LYS 46 18.997 8.704 8.704 1338 2HB LYS 46 1HB LYS 46 18.487 10.378 10.378 1339 1HG LYS 46 2HG LYS 46 19.715 8.746 8.746 1340 2HG LYS 46 1HG LYS 46 20.606 9.852 9.852 1341 1HD LYS 46 2HD LYS 46 18.380 11.275 11.275 1342 2HD LYS 46 1HD LYS 46 19.090 10.426 10.426 1343 1HE LYS 46 2HE LYS 46 21.307 11.347 11.347 1344 2HE LYS 46 1HE LYS 46 20.490 12.300 12.300 1345 1HZ LYS 46 1HZ LYS 46 19.638 12.487 12.487 1346 2HZ LYS 46 3HZ LYS 46 20.981 13.364 13.364 1347 3HZ LYS 46 2HZ LYS 46 19.465 13.620 13.620 1348 H THR 47 HN THR 47 15.478 10.782 10.782 1349 HA THR 47 HA THR 47 14.446 9.951 9.951 1350 HB THR 47 HB THR 47 12.726 9.173 9.173 1351 HG1 THR 47 1HG THR 47 11.487 10.446 10.446 1352 1HG2 THR 47 3HG2 THR 47 13.738 10.087 10.087 1353 2HG2 THR 47 2HG2 THR 47 12.795 11.546 11.546 1354 3HG2 THR 47 1HG2 THR 47 11.978 9.999 9.999 1355 H THR 48 HN THR 48 13.258 11.624 11.624 1356 HA THR 48 HA THR 48 14.662 13.953 13.953 1357 HB THR 48 HB THR 48 12.176 14.748 14.748 1358 HG1 THR 48 1HG THR 48 11.367 12.715 12.715 1359 1HG2 THR 48 3HG2 THR 48 14.222 13.062 13.062 1360 2HG2 THR 48 2HG2 THR 48 12.673 13.351 13.351 1361 3HG2 THR 48 1HG2 THR 48 13.706 14.712 14.712 1362 H ASN 49 HN ASN 49 11.751 13.512 13.512 1363 HA ASN 49 HA ASN 49 12.318 16.109 16.109 1364 1HB ASN 49 2HB ASN 49 10.069 15.609 15.609 1365 2HB ASN 49 1HB ASN 49 9.635 14.807 14.807 1366 1HD2 ASN 49 2HD2 ASN 49 10.406 18.828 18.828 1367 2HD2 ASN 49 1HD2 ASN 49 11.344 17.797 17.797 1368 H MET 50 HN MET 50 13.269 15.853 15.853 1369 HA MET 50 HA MET 50 12.712 13.460 13.460 1370 1HB MET 50 2HB MET 50 14.981 15.267 15.267 1371 2HB MET 50 1HB MET 50 14.612 14.932 14.932 1372 1HG MET 50 2HG MET 50 14.668 12.599 12.599 1373 2HG MET 50 1HG MET 50 16.211 13.405 13.405 1374 1HE MET 50 3HE MET 50 13.796 11.001 11.001 1375 2HE MET 50 2HE MET 50 15.282 10.133 10.133 1376 3HE MET 50 1HE MET 50 14.100 10.460 10.460 1377 H ARG 51 HN ARG 51 10.875 15.824 15.824 1378 HA ARG 51 HA ARG 51 10.756 16.672 16.672 1379 1HB ARG 51 2HB ARG 51 9.125 17.948 17.948 1380 2HB ARG 51 1HB ARG 51 9.712 18.642 18.642 1381 1HG ARG 51 2HG ARG 51 12.059 18.231 18.231 1382 2HG ARG 51 1HG ARG 51 11.085 18.324 18.324 1383 1HD ARG 51 2HD ARG 51 10.272 20.430 20.430 1384 2HD ARG 51 1HD ARG 51 12.034 20.440 20.440 1385 HE ARG 51 HE ARG 51 11.921 21.113 21.113 1386 1HH1 ARG 51 1HH2 ARG 51 8.791 19.969 19.969 1387 2HH1 ARG 51 2HH2 ARG 51 7.983 20.516 20.516 1388 1HH2 ARG 51 1HH1 ARG 51 10.868 21.835 21.835 1389 2HH2 ARG 51 2HH1 ARG 51 9.164 21.576 21.576 1390 H ARG 52 HN ARG 52 8.745 15.532 15.532 1391 HA ARG 52 HA ARG 52 6.461 15.124 15.124 1392 1HB ARG 52 2HB ARG 52 6.991 14.464 14.464 1393 2HB ARG 52 1HB ARG 52 5.477 14.091 14.091 1394 1HG ARG 52 2HG ARG 52 4.959 16.371 16.371 1395 2HG ARG 52 1HG ARG 52 6.594 16.874 16.874 1396 1HD ARG 52 2HD ARG 52 5.594 15.357 15.357 1397 2HD ARG 52 1HD ARG 52 4.324 16.486 16.486 1398 HE ARG 52 HE ARG 52 6.776 17.119 17.119 1399 1HH1 ARG 52 1HH2 ARG 52 4.417 18.330 18.330 1400 2HH1 ARG 52 2HH2 ARG 52 4.759 19.995 19.995 1401 1HH2 ARG 52 1HH1 ARG 52 7.235 19.307 19.307 1402 2HH2 ARG 52 2HH1 ARG 52 6.362 20.550 20.550 1403 H LEU 53 HN LEU 53 8.652 13.021 13.021 1404 HA LEU 53 HA LEU 53 7.559 10.623 10.623 1405 1HB LEU 53 2HB LEU 53 10.225 10.829 10.829 1406 2HB LEU 53 1HB LEU 53 9.134 9.458 9.458 1407 HG LEU 53 HG LEU 53 8.823 11.979 11.979 1408 1HD1 LEU 53 1HD1 LEU 53 10.118 9.652 9.652 1409 2HD1 LEU 53 3HD1 LEU 53 8.509 9.351 9.351 1410 3HD1 LEU 53 2HD1 LEU 53 9.429 10.758 10.758 1411 1HD2 LEU 53 1HD2 LEU 53 6.827 9.762 9.762 1412 2HD2 LEU 53 3HD2 LEU 53 6.658 11.442 11.442 1413 3HD2 LEU 53 2HD2 LEU 53 6.685 11.038 11.038 1414 H SER 54 HN SER 54 8.679 9.120 9.120 1415 HA SER 54 HA SER 54 10.952 10.138 10.138 1416 1HB SER 54 2HB SER 54 8.485 9.092 9.092 1417 2HB SER 54 1HB SER 54 9.920 9.800 9.800 1418 HG SER 54 HG SER 54 9.309 11.735 11.735 1419 H VAL 55 HN VAL 55 12.413 8.583 8.583 1420 HA VAL 55 HA VAL 55 11.542 5.789 5.789 1421 HB VAL 55 HB VAL 55 14.039 5.471 5.471 1422 1HG1 VAL 55 1HG1 VAL 55 11.681 6.182 6.182 1423 2HG1 VAL 55 3HG1 VAL 55 13.170 6.599 6.599 1424 3HG1 VAL 55 2HG1 VAL 55 12.895 4.941 4.941 1425 1HG2 VAL 55 3HG2 VAL 55 14.646 7.819 7.819 1426 2HG2 VAL 55 2HG2 VAL 55 15.119 7.333 7.333 1427 3HG2 VAL 55 1HG2 VAL 55 13.701 8.354 8.354 1428 H ASP 56 HN ASP 56 12.431 4.215 4.215 1429 HA ASP 56 HA ASP 56 14.436 4.818 4.818 1430 1HB ASP 56 2HB ASP 56 12.356 5.909 5.909 1431 2HB ASP 56 1HB ASP 56 11.670 4.294 4.294 1432 HA PRO 57 HA PRO 57 15.846 3.813 3.813 1433 1HB PRO 57 2HB PRO 57 17.981 2.272 2.272 1434 2HB PRO 57 1HB PRO 57 16.965 1.961 1.961 1435 1HG PRO 57 2HG PRO 57 16.922 0.644 0.644 1436 2HG PRO 57 1HG PRO 57 16.808 -0.093 -0.093 1437 1HD PRO 57 2HD PRO 57 14.638 0.362 0.362 1438 2HD PRO 57 1HD PRO 57 14.571 0.406 0.406 1439 HA PRO 58 HA PRO 58 16.750 5.679 5.679 1440 1HB PRO 58 2HB PRO 58 18.241 7.749 7.749 1441 2HB PRO 58 1HB PRO 58 16.487 7.691 7.691 1442 1HG PRO 58 2HG PRO 58 18.651 7.045 7.045 1443 2HG PRO 58 1HG PRO 58 17.155 7.966 7.966 1444 1HD PRO 58 2HD PRO 58 17.430 5.359 5.359 1445 2HD PRO 58 1HD PRO 58 15.879 6.068 6.068 1446 H CYS 59 HN CYS 59 19.027 4.251 4.251 1447 HA CYS 59 HA CYS 59 20.847 3.756 3.756 1448 1HB CYS 59 2HB CYS 59 22.824 4.779 4.779 1449 2HB CYS 59 1HB CYS 59 21.642 5.970 5.970 1450 HG CYS 59 HG CYS 59 22.530 6.470 6.470 1451 H GLY 60 HN GLY 60 22.730 2.419 2.419 1452 1HA GLY 60 2HA GLY 60 23.154 1.302 1.302 1453 2HA GLY 60 1HA GLY 60 21.760 0.417 0.417 1454 H VAL 61 HN VAL 61 23.012 -1.506 -1.506 1455 HA VAL 61 HA VAL 61 24.739 -1.750 -1.750 1456 HB VAL 61 HB VAL 61 25.369 -3.165 -3.165 1457 1HG1 VAL 61 1HG1 VAL 61 26.386 -3.241 -3.241 1458 2HG1 VAL 61 3HG1 VAL 61 27.655 -2.842 -2.842 1459 3HG1 VAL 61 2HG1 VAL 61 26.712 -4.319 -4.319 1460 1HG2 VAL 61 2HG2 VAL 61 26.250 -0.477 -0.477 1461 2HG2 VAL 61 1HG2 VAL 61 25.737 -0.964 -0.964 1462 3HG2 VAL 61 3HG2 VAL 61 27.316 -1.459 -1.459 1463 H LEU 62 HN LEU 62 24.736 -3.786 -3.786 1464 HA LEU 62 HA LEU 62 22.556 -5.566 -5.566 1465 1HB LEU 62 2HB LEU 62 23.121 -4.325 -4.325 1466 2HB LEU 62 1HB LEU 62 23.064 -6.071 -6.071 1467 HG LEU 62 HG LEU 62 20.891 -4.956 -4.956 1468 1HD1 LEU 62 2HD1 LEU 62 21.406 -7.171 -7.171 1469 2HD1 LEU 62 1HD1 LEU 62 19.878 -6.386 -6.386 1470 3HD1 LEU 62 3HD1 LEU 62 20.162 -6.984 -6.984 1471 1HD2 LEU 62 1HD2 LEU 62 21.528 -3.554 -3.554 1472 2HD2 LEU 62 3HD2 LEU 62 20.085 -3.397 -3.397 1473 3HD2 LEU 62 2HD2 LEU 62 20.099 -4.525 -4.525 1474 H ASP 63 HN ASP 63 23.146 -7.539 -7.539 1475 HA ASP 63 HA ASP 63 25.855 -8.431 -8.431 1476 1HB ASP 63 2HB ASP 63 23.527 -9.201 -9.201 1477 2HB ASP 63 1HB ASP 63 24.382 -10.600 -10.600 1478 HA PRO 64 HA PRO 64 25.599 -11.022 -11.022 1479 1HB PRO 64 2HB PRO 64 26.553 -13.445 -13.445 1480 2HB PRO 64 1HB PRO 64 27.582 -12.042 -12.042 1481 1HG PRO 64 2HG PRO 64 26.522 -13.081 -13.081 1482 2HG PRO 64 1HG PRO 64 28.144 -12.478 -12.478 1483 1HD PRO 64 2HD PRO 64 26.335 -10.959 -10.959 1484 2HD PRO 64 1HD PRO 64 27.490 -10.262 -10.262 1485 H LYS 65 HN LYS 65 23.671 -11.591 -11.591 1486 HA LYS 65 HA LYS 65 21.728 -12.719 -12.719 1487 1HB LYS 65 2HB LYS 65 23.486 -14.648 -14.648 1488 2HB LYS 65 1HB LYS 65 22.574 -14.910 -14.910 1489 1HG LYS 65 2HG LYS 65 20.506 -15.013 -15.013 1490 2HG LYS 65 1HG LYS 65 21.618 -15.118 -15.118 1491 1HD LYS 65 2HD LYS 65 21.780 -16.981 -16.981 1492 2HD LYS 65 1HD LYS 65 20.757 -17.315 -17.315 1493 1HE LYS 65 2HE LYS 65 22.814 -17.034 -17.034 1494 2HE LYS 65 1HE LYS 65 23.751 -17.003 -17.003 1495 1HZ LYS 65 2HZ LYS 65 21.925 -19.226 -19.226 1496 2HZ LYS 65 1HZ LYS 65 23.138 -19.226 -19.226 1497 3HZ LYS 65 3HZ LYS 65 23.552 -19.201 -19.201 1498 H GLU 66 HN GLU 66 22.022 -10.902 -10.902 1499 HA GLU 66 HA GLU 66 20.104 -12.053 -12.053 1500 1HB GLU 66 2HB GLU 66 21.708 -11.193 -11.193 1501 2HB GLU 66 1HB GLU 66 22.269 -10.048 -10.048 1502 1HG GLU 66 2HG GLU 66 20.892 -8.402 -8.402 1503 2HG GLU 66 1HG GLU 66 19.645 -9.521 -9.521 1504 H LYS 67 HN LYS 67 18.197 -10.916 -10.916 1505 HA LYS 67 HA LYS 67 17.301 -9.034 -9.034 1506 1HB LYS 67 2HB LYS 67 15.427 -10.586 -10.586 1507 2HB LYS 67 1HB LYS 67 15.133 -9.890 -9.890 1508 1HG LYS 67 2HG LYS 67 16.963 -11.625 -11.625 1509 2HG LYS 67 1HG LYS 67 16.454 -12.447 -12.447 1510 1HD LYS 67 2HD LYS 67 14.110 -12.340 -12.340 1511 2HD LYS 67 1HD LYS 67 14.701 -11.648 -11.648 1512 1HE LYS 67 2HE LYS 67 16.178 -13.718 -13.718 1513 2HE LYS 67 1HE LYS 67 15.185 -14.397 -14.397 1514 1HZ LYS 67 3HZ LYS 67 13.259 -13.697 -13.697 1515 2HZ LYS 67 2HZ LYS 67 14.459 -13.783 -13.783 1516 3HZ LYS 67 1HZ LYS 67 14.093 -15.146 -15.146 1517 H VAL 68 HN VAL 68 15.899 -7.309 -7.309 1518 HA VAL 68 HA VAL 68 15.705 -6.672 -6.672 1519 HB VAL 68 HB VAL 68 17.883 -5.732 -5.732 1520 1HG1 VAL 68 1HG1 VAL 68 17.383 -5.445 -5.445 1521 2HG1 VAL 68 3HG1 VAL 68 16.409 -4.034 -4.034 1522 3HG1 VAL 68 2HG1 VAL 68 18.142 -4.037 -4.037 1523 1HG2 VAL 68 1HG2 VAL 68 15.935 -4.500 -4.500 1524 2HG2 VAL 68 3HG2 VAL 68 17.557 -3.836 -3.836 1525 3HG2 VAL 68 2HG2 VAL 68 16.245 -3.281 -3.281 1526 H LEU 69 HN LEU 69 14.027 -5.295 -5.295 1527 HA LEU 69 HA LEU 69 12.194 -4.749 -4.749 1528 1HB LEU 69 2HB LEU 69 11.911 -5.062 -5.062 1529 2HB LEU 69 1HB LEU 69 10.728 -4.082 -4.082 1530 HG LEU 69 HG LEU 69 11.353 -6.903 -6.903 1531 1HD1 LEU 69 3HD1 LEU 69 10.320 -6.269 -6.269 1532 2HD1 LEU 69 2HD1 LEU 69 8.875 -6.507 -6.507 1533 3HD1 LEU 69 1HD1 LEU 69 10.078 -7.790 -7.790 1534 1HD2 LEU 69 2HD2 LEU 69 10.104 -5.116 -5.116 1535 2HD2 LEU 69 1HD2 LEU 69 9.477 -6.761 -6.761 1536 3HD2 LEU 69 3HD2 LEU 69 8.756 -5.477 -5.477 1537 H MET 70 HN MET 70 11.603 -2.754 -2.754 1538 HA MET 70 HA MET 70 12.751 -0.460 -0.460 1539 1HB MET 70 2HB MET 70 13.613 -1.166 -1.166 1540 2HB MET 70 1HB MET 70 12.180 -0.289 -0.289 1541 1HG MET 70 2HG MET 70 13.424 1.367 1.367 1542 2HG MET 70 1HG MET 70 14.725 0.712 0.712 1543 1HE MET 70 1HE MET 70 13.561 0.020 0.020 1544 2HE MET 70 3HE MET 70 12.257 0.968 0.968 1545 3HE MET 70 2HE MET 70 13.938 1.395 1.395 1546 H ALA 71 HN ALA 71 11.571 1.559 1.559 1547 HA ALA 71 HA ALA 71 8.712 1.173 1.173 1548 1HB ALA 71 3HB ALA 71 9.477 1.228 1.228 1549 2HB ALA 71 2HB ALA 71 9.511 2.970 2.970 1550 3HB ALA 71 1HB ALA 71 8.015 2.067 2.067 1551 H VAL 72 HN VAL 72 7.937 2.596 2.596 1552 HA VAL 72 HA VAL 72 9.255 5.222 5.222 1553 HB VAL 72 HB VAL 72 8.103 3.654 3.654 1554 1HG1 VAL 72 2HG1 VAL 72 9.141 6.381 6.381 1555 2HG1 VAL 72 1HG1 VAL 72 9.767 5.513 5.513 1556 3HG1 VAL 72 3HG1 VAL 72 8.027 5.731 5.731 1557 1HG2 VAL 72 2HG2 VAL 72 10.409 3.009 3.009 1558 2HG2 VAL 72 1HG2 VAL 72 10.113 2.746 2.746 1559 3HG2 VAL 72 3HG2 VAL 72 10.995 4.176 4.176 1560 H SER 73 HN SER 73 7.721 6.325 6.325 1561 HA SER 73 HA SER 73 4.908 6.048 6.048 1562 1HB SER 73 2HB SER 73 4.505 7.532 7.532 1563 2HB SER 73 1HB SER 73 5.730 6.366 6.366 1564 HG SER 73 HG SER 73 5.968 8.873 8.873 1565 H CYS 74 HN CYS 74 3.572 7.808 7.808 1566 HA CYS 74 HA CYS 74 4.979 10.024 10.024 1567 1HB CYS 74 2HB CYS 74 3.213 9.781 9.781 1568 2HB CYS 74 1HB CYS 74 4.538 8.622 8.622 1569 HG CYS 74 HG CYS 74 2.766 6.939 6.939 1570 H ASP 75 HN ASP 75 4.321 11.760 11.760 1571 HA ASP 75 HA ASP 75 2.035 12.035 12.035 1572 1HB ASP 75 2HB ASP 75 3.629 14.162 14.162 1573 2HB ASP 75 1HB ASP 75 2.408 14.500 14.500 1574 H THR 76 HN THR 76 0.004 12.925 12.925 1575 HA THR 76 HA THR 76 -1.245 12.402 12.402 1576 HB THR 76 HB THR 76 -3.213 13.178 13.178 1577 HG1 THR 76 1HG THR 76 -1.637 14.821 14.821 1578 1HG2 THR 76 1HG2 THR 76 -1.808 11.463 11.463 1579 2HG2 THR 76 3HG2 THR 76 -1.863 12.788 12.788 1580 3HG2 THR 76 2HG2 THR 76 -3.362 12.096 12.096 1581 H PHE 77 HN PHE 77 -1.886 13.693 13.693 1582 HA PHE 77 HA PHE 77 -1.234 16.536 16.536 1583 1HB PHE 77 2HB PHE 77 0.046 16.459 16.459 1584 2HB PHE 77 1HB PHE 77 0.782 15.378 15.378 1585 HD1 PHE 77 2HD PHE 77 0.264 12.898 12.898 1586 HD2 PHE 77 1HD PHE 77 -0.588 15.679 15.679 1587 HE1 PHE 77 2HE PHE 77 0.148 11.049 11.049 1588 HE2 PHE 77 1HE PHE 77 -0.706 13.834 13.834 1589 HZ PHE 77 HZ PHE 77 -0.338 11.515 11.515 1590 H ASN 78 HN ASN 78 -1.673 17.203 17.203 1591 HA ASN 78 HA ASN 78 -4.438 16.294 16.294 1592 1HB ASN 78 2HB ASN 78 -3.199 19.000 19.000 1593 2HB ASN 78 1HB ASN 78 -4.455 18.672 18.672 1594 1HD2 ASN 78 2HD2 ASN 78 -6.046 20.083 20.083 1595 2HD2 ASN 78 1HD2 ASN 78 -4.856 20.593 20.593 1596 H ALA 79 HN ALA 79 -4.507 14.993 14.993 1597 HA ALA 79 HA ALA 79 -2.621 15.392 15.392 1598 1HB ALA 79 1HB ALA 79 -3.143 13.130 13.130 1599 2HB ALA 79 3HB ALA 79 -4.540 13.112 13.112 1600 3HB ALA 79 2HB ALA 79 -2.912 13.178 13.178 1601 H ALA 80 HN ALA 80 -5.148 17.002 17.002 1602 HA ALA 80 HA ALA 80 -6.717 16.421 16.421 1603 1HB ALA 80 1HB ALA 80 -7.385 17.362 17.362 1604 2HB ALA 80 3HB ALA 80 -7.605 18.739 18.739 1605 3HB ALA 80 2HB ALA 80 -8.448 17.222 17.222 1606 H THR 81 HN THR 81 -4.458 18.744 18.744 1607 HA THR 81 HA THR 81 -4.381 20.047 20.047 1608 HB THR 81 HB THR 81 -4.344 22.277 22.277 1609 HG1 THR 81 1HG THR 81 -3.967 22.396 22.396 1610 1HG2 THR 81 2HG2 THR 81 -6.524 21.156 21.156 1611 2HG2 THR 81 1HG2 THR 81 -6.778 20.899 20.899 1612 3HG2 THR 81 3HG2 THR 81 -6.621 22.538 22.538 1613 H GLU 82 HN GLU 82 -2.560 18.208 18.208 1614 HA GLU 82 HA GLU 82 -0.154 19.836 19.836 1615 1HB GLU 82 2HB GLU 82 -0.659 17.516 17.516 1616 2HB GLU 82 1HB GLU 82 0.809 18.479 18.479 1617 1HG GLU 82 2HG GLU 82 -1.898 19.562 19.562 1618 2HG GLU 82 1HG GLU 82 -0.663 19.061 19.061 1619 H ASP 83 HN ASP 83 1.644 18.916 18.916 1620 HA ASP 83 HA ASP 83 1.130 16.904 16.904 1621 1HB ASP 83 2HB ASP 83 3.611 18.387 18.387 1622 2HB ASP 83 1HB ASP 83 3.663 17.117 17.117 1623 H LEU 84 HN LEU 84 2.105 14.850 14.850 1624 HA LEU 84 HA LEU 84 3.250 13.732 13.732 1625 1HB LEU 84 2HB LEU 84 1.186 12.337 12.337 1626 2HB LEU 84 1HB LEU 84 1.915 11.726 11.726 1627 HG LEU 84 HG LEU 84 0.118 14.147 14.147 1628 1HD1 LEU 84 1HD1 LEU 84 -1.000 11.969 11.969 1629 2HD1 LEU 84 3HD1 LEU 84 -0.499 11.418 11.418 1630 3HD1 LEU 84 2HD1 LEU 84 -1.597 12.790 12.790 1631 1HD2 LEU 84 2HD2 LEU 84 1.761 12.936 12.936 1632 2HD2 LEU 84 1HD2 LEU 84 1.209 14.598 14.598 1633 3HD2 LEU 84 3HD2 LEU 84 0.116 13.380 13.380 1634 H ASN 85 HN ASN 85 5.143 14.280 14.280 1635 HA ASN 85 HA ASN 85 6.009 11.817 11.817 1636 1HB ASN 85 2HB ASN 85 5.963 14.305 14.305 1637 2HB ASN 85 1HB ASN 85 6.463 12.687 12.687 1638 1HD2 ASN 85 2HD2 ASN 85 3.233 11.494 11.494 1639 2HD2 ASN 85 1HD2 ASN 85 4.894 11.092 11.092 1640 H ASN 86 HN ASN 86 6.797 13.497 13.497 1641 HA ASN 86 HA ASN 86 9.569 14.015 14.015 1642 1HB ASN 86 2HB ASN 86 7.878 15.769 15.769 1643 2HB ASN 86 1HB ASN 86 9.615 15.958 15.958 1644 1HD2 ASN 86 2HD2 ASN 86 6.975 17.191 17.191 1645 2HD2 ASN 86 1HD2 ASN 86 6.480 16.211 16.211 1646 H ASP 87 HN ASP 87 7.726 12.058 12.058 1647 HA ASP 87 HA ASP 87 9.497 12.039 12.039 1648 1HB ASP 87 2HB ASP 87 6.683 11.268 11.268 1649 2HB ASP 87 1HB ASP 87 7.595 10.189 10.189 1650 H ARG 88 HN ARG 88 11.142 10.671 10.671 1651 HA ARG 88 HA ARG 88 10.749 7.968 7.968 1652 1HB ARG 88 2HB ARG 88 12.877 8.120 8.120 1653 2HB ARG 88 1HB ARG 88 11.500 8.989 8.989 1654 1HG ARG 88 2HG ARG 88 12.408 11.073 11.073 1655 2HG ARG 88 1HG ARG 88 13.842 10.160 10.160 1656 1HD ARG 88 2HD ARG 88 14.010 9.518 9.518 1657 2HD ARG 88 1HD ARG 88 12.867 10.832 10.832 1658 HE ARG 88 HE ARG 88 15.104 11.664 11.664 1659 1HH1 ARG 88 1HH2 ARG 88 14.033 11.020 11.020 1660 2HH1 ARG 88 2HH2 ARG 88 15.180 12.094 12.094 1661 1HH2 ARG 88 1HH1 ARG 88 16.618 13.079 13.079 1662 2HH2 ARG 88 2HH1 ARG 88 16.650 13.265 13.265 1663 H ILE 89 HN ILE 89 11.858 6.498 6.498 1664 HA ILE 89 HA ILE 89 13.477 7.448 7.448 1665 HB ILE 89 HB ILE 89 12.674 4.623 4.623 1666 1HG1 ILE 89 2HG1 ILE 89 11.451 6.538 6.538 1667 2HG1 ILE 89 1HG1 ILE 89 10.741 6.105 6.105 1668 1HG2 ILE 89 2HG2 ILE 89 13.978 5.830 5.830 1669 2HG2 ILE 89 1HG2 ILE 89 13.156 4.270 4.270 1670 3HG2 ILE 89 3HG2 ILE 89 14.552 4.503 4.503 1671 1HD1 ILE 89 1HD1 ILE 89 11.177 3.665 3.665 1672 2HD1 ILE 89 3HD1 ILE 89 10.712 4.683 4.683 1673 3HD1 ILE 89 2HD1 ILE 89 9.646 4.539 4.539 1674 H THR 90 HN THR 90 15.557 6.387 6.387 1675 HA THR 90 HA THR 90 16.983 5.232 5.232 1676 HB THR 90 HB THR 90 18.383 7.476 7.476 1677 HG1 THR 90 1HG THR 90 17.383 9.003 9.003 1678 1HG2 THR 90 1HG2 THR 90 18.431 6.245 6.245 1679 2HG2 THR 90 3HG2 THR 90 19.103 7.848 7.848 1680 3HG2 THR 90 2HG2 THR 90 19.747 6.453 6.453 1681 H ILE 91 HN ILE 91 17.767 3.427 3.427 1682 HA ILE 91 HA ILE 91 18.757 3.454 3.454 1683 HB ILE 91 HB ILE 91 18.230 1.058 1.058 1684 1HG1 ILE 91 2HG1 ILE 91 16.241 0.830 0.830 1685 2HG1 ILE 91 1HG1 ILE 91 16.480 2.552 2.552 1686 1HG2 ILE 91 2HG2 ILE 91 19.316 1.438 1.438 1687 2HG2 ILE 91 1HG2 ILE 91 18.041 0.223 0.223 1688 3HG2 ILE 91 3HG2 ILE 91 19.486 0.081 0.081 1689 1HD1 ILE 91 3HD1 ILE 91 16.164 1.492 1.492 1690 2HD1 ILE 91 2HD1 ILE 91 14.758 1.787 1.787 1691 3HD1 ILE 91 1HD1 ILE 91 15.850 3.112 3.112 1692 H GLU 92 HN GLU 92 20.869 3.844 3.844 1693 HA GLU 92 HA GLU 92 22.673 2.723 2.723 1694 1HB GLU 92 2HB GLU 92 23.397 4.990 4.990 1695 2HB GLU 92 1HB GLU 92 24.146 4.532 4.532 1696 1HG GLU 92 2HG GLU 92 22.798 5.857 5.857 1697 2HG GLU 92 1HG GLU 92 21.365 5.195 5.195 1698 H TRP 93 HN TRP 93 24.197 1.309 1.309 1699 HA TRP 93 HA TRP 93 24.952 1.134 1.134 1700 1HB TRP 93 2HB TRP 93 24.570 -1.227 -1.227 1701 2HB TRP 93 1HB TRP 93 23.080 -0.484 -0.484 1702 HD1 TRP 93 1HD TRP 93 25.631 -3.073 -3.073 1703 HE1 TRP 93 1HE TRP 93 25.024 -4.124 -4.124 1704 HE3 TRP 93 3HE TRP 93 21.978 0.193 0.193 1705 HZ2 TRP 93 2HZ TRP 93 23.235 -3.635 -3.635 1706 HZ3 TRP 93 3HZ TRP 93 20.869 -0.170 -0.170 1707 HH2 TRP 93 2HH TRP 93 21.485 -2.045 -2.045 1708 H THR 94 HN THR 94 26.972 0.144 0.144 1709 HA THR 94 HA THR 94 28.545 -0.781 -0.781 1710 HB THR 94 HB THR 94 28.728 1.723 1.723 1711 HG1 THR 94 1HG THR 94 30.765 1.553 1.553 1712 1HG2 THR 94 3HG2 THR 94 29.085 1.509 1.509 1713 2HG2 THR 94 2HG2 THR 94 30.675 1.921 1.921 1714 3HG2 THR 94 1HG2 THR 94 29.288 2.950 2.950 1715 H ASN 95 HN ASN 95 30.551 -1.740 -1.740 1716 HA ASN 95 HA ASN 95 30.449 -3.292 -3.292 1717 1HB ASN 95 2HB ASN 95 32.907 -3.677 -3.677 1718 2HB ASN 95 1HB ASN 95 31.880 -3.948 -3.948 1719 1HD2 ASN 95 2HD2 ASN 95 33.332 -1.474 -1.474 1720 2HD2 ASN 95 1HD2 ASN 95 32.090 -2.662 -2.662 1721 H THR 96 HN THR 96 31.680 -3.273 -3.273 1722 HA THR 96 HA THR 96 32.179 -0.555 -0.555 1723 HB THR 96 HB THR 96 32.283 -2.045 -2.045 1724 HG1 THR 96 1HG THR 96 31.861 -3.965 -3.965 1725 1HG2 THR 96 2HG2 THR 96 29.919 -0.893 -0.893 1726 2HG2 THR 96 1HG2 THR 96 29.729 -1.747 -1.747 1727 3HG2 THR 96 3HG2 THR 96 30.755 -0.316 -0.316 1728 HA PRO 97 HA PRO 97 36.580 -1.171 -1.171 1729 1HB PRO 97 2HB PRO 97 36.571 0.606 0.606 1730 2HB PRO 97 1HB PRO 97 37.466 0.760 0.760 1731 1HG PRO 97 2HG PRO 97 35.359 2.308 2.308 1732 2HG PRO 97 1HG PRO 97 35.657 1.665 1.665 1733 1HD PRO 97 2HD PRO 97 33.677 0.781 0.781 1734 2HD PRO 97 1HD PRO 97 33.508 0.870 0.870 1735 H ASP 98 HN ASP 98 38.285 -2.098 -2.098 1736 HA ASP 98 HA ASP 98 37.600 -4.244 -4.244 1737 1HB ASP 98 2HB ASP 98 40.194 -2.705 -2.705 1738 2HB ASP 98 1HB ASP 98 40.026 -4.213 -4.213 1739 H GLY 99 HN GLY 99 36.917 -4.435 -4.435 1740 1HA GLY 99 2HA GLY 99 36.587 -4.000 -4.000 1741 2HA GLY 99 1HA GLY 99 37.938 -2.879 -2.879 1742 H ALA 100 HN ALA 100 35.077 -2.638 -2.638 1743 HA ALA 100 HA ALA 100 34.648 0.071 0.071 1744 1HB ALA 100 3HB ALA 100 32.985 -2.025 -2.025 1745 2HB ALA 100 2HB ALA 100 32.357 -0.401 -0.401 1746 3HB ALA 100 1HB ALA 100 33.805 -0.631 -0.631 1747 H ALA 101 HN ALA 101 33.761 -2.758 -2.758 1748 HA ALA 101 HA ALA 101 32.735 -3.009 -3.009 1749 1HB ALA 101 1HB ALA 101 33.721 -0.697 -0.697 1750 2HB ALA 101 3HB ALA 101 32.117 -0.074 -0.074 1751 3HB ALA 101 2HB ALA 101 32.329 -1.178 -1.178 1752 H LYS 102 HN LYS 102 30.587 -2.816 -2.816 1753 HA LYS 102 HA LYS 102 28.547 -3.056 -3.056 1754 1HB LYS 102 2HB LYS 102 28.711 -4.793 -4.793 1755 2HB LYS 102 1HB LYS 102 28.418 -3.590 -3.590 1756 1HG LYS 102 2HG LYS 102 26.286 -4.218 -4.218 1757 2HG LYS 102 1HG LYS 102 26.260 -3.242 -3.242 1758 1HD LYS 102 2HD LYS 102 26.615 -5.137 -5.137 1759 2HD LYS 102 1HD LYS 102 27.032 -6.150 -6.150 1760 1HE LYS 102 2HE LYS 102 24.742 -6.540 -6.540 1761 2HE LYS 102 1HE LYS 102 24.783 -6.125 -6.125 1762 1HZ LYS 102 2HZ LYS 102 24.481 -3.912 -3.912 1763 2HZ LYS 102 1HZ LYS 102 23.159 -4.957 -4.957 1764 3HZ LYS 102 3HZ LYS 102 23.758 -4.163 -4.163 1765 H GLN 103 HN GLN 103 28.732 -0.713 -0.713 1766 HA GLN 103 HA GLN 103 26.495 0.646 0.646 1767 1HB GLN 103 2HB GLN 103 28.851 0.911 0.911 1768 2HB GLN 103 1HB GLN 103 28.609 2.441 2.441 1769 1HG GLN 103 2HG GLN 103 26.107 1.978 1.978 1770 2HG GLN 103 1HG GLN 103 27.038 1.173 1.173 1771 1HE2 GLN 103 2HE2 GLN 103 27.575 4.145 4.145 1772 2HE2 GLN 103 1HE2 GLN 103 27.252 2.449 2.449 1773 H PHE 104 HN PHE 104 25.810 2.029 2.029 1774 HA PHE 104 HA PHE 104 27.098 2.356 2.356 1775 1HB PHE 104 2HB PHE 104 24.676 2.672 2.672 1776 2HB PHE 104 1HB PHE 104 24.997 4.147 4.147 1777 HD1 PHE 104 1HD PHE 104 25.164 2.578 2.578 1778 HD2 PHE 104 2HD PHE 104 25.462 6.193 6.193 1779 HE1 PHE 104 1HE PHE 104 25.107 3.868 3.868 1780 HE2 PHE 104 2HE PHE 104 25.406 7.489 7.489 1781 HZ PHE 104 HZ PHE 104 25.228 6.326 6.326 1782 H ARG 105 HN ARG 105 28.128 4.138 4.138 1783 HA ARG 105 HA ARG 105 29.054 6.277 6.277 1784 1HB ARG 105 2HB ARG 105 30.689 4.214 4.214 1785 2HB ARG 105 1HB ARG 105 31.073 5.002 5.002 1786 1HG ARG 105 2HG ARG 105 32.377 6.470 6.470 1787 2HG ARG 105 1HG ARG 105 31.084 6.922 6.922 1788 1HD ARG 105 2HD ARG 105 33.083 6.074 6.074 1789 2HD ARG 105 1HD ARG 105 31.654 5.087 5.087 1790 HE ARG 105 HE ARG 105 33.002 3.961 3.961 1791 1HH1 ARG 105 1HH2 ARG 105 33.540 4.554 4.554 1792 2HH1 ARG 105 2HH2 ARG 105 34.589 3.191 3.191 1793 1HH2 ARG 105 1HH1 ARG 105 34.384 2.165 2.165 1794 2HH2 ARG 105 2HH1 ARG 105 35.070 1.834 1.834 1795 H ARG 106 HN ARG 106 29.877 8.131 8.131 1796 HA ARG 106 HA ARG 106 28.622 8.461 8.461 1797 1HB ARG 106 2HB ARG 106 28.356 10.089 10.089 1798 2HB ARG 106 1HB ARG 106 29.988 10.621 10.621 1799 1HG ARG 106 2HG ARG 106 29.219 11.946 11.946 1800 2HG ARG 106 1HG ARG 106 28.445 10.580 10.580 1801 1HD ARG 106 2HD ARG 106 26.438 10.879 10.879 1802 2HD ARG 106 1HD ARG 106 27.202 11.952 11.952 1803 HE ARG 106 HE ARG 106 27.328 13.019 13.019 1804 1HH1 ARG 106 1HH2 ARG 106 25.211 12.562 12.562 1805 2HH1 ARG 106 2HH2 ARG 106 24.216 13.927 13.927 1806 1HH2 ARG 106 1HH1 ARG 106 26.021 14.819 14.819 1807 2HH2 ARG 106 2HH1 ARG 106 24.676 15.211 15.211 1808 H GLU 107 HN GLU 107 31.228 7.005 7.005 1809 HA GLU 107 HA GLU 107 32.992 8.669 8.669 1810 1HB GLU 107 2HB GLU 107 33.466 6.721 6.721 1811 2HB GLU 107 1HB GLU 107 34.570 6.607 6.607 1812 1HG GLU 107 2HG GLU 107 35.500 8.647 8.647 1813 2HG GLU 107 1HG GLU 107 34.043 9.287 9.287 1814 H TRP 108 HN TRP 108 30.855 6.112 6.112 1815 HA TRP 108 HA TRP 108 32.371 4.692 4.692 1816 1HB TRP 108 2HB TRP 108 29.520 4.170 4.170 1817 2HB TRP 108 1HB TRP 108 30.623 3.069 3.069 1818 HD1 TRP 108 1HD TRP 108 33.114 3.664 3.664 1819 HE1 TRP 108 1HE TRP 108 33.031 2.548 2.548 1820 HE3 TRP 108 3HE TRP 108 28.101 2.697 2.697 1821 HZ2 TRP 108 2HZ TRP 108 31.096 1.410 1.410 1822 HZ3 TRP 108 3HZ TRP 108 27.214 1.593 1.593 1823 HH2 TRP 108 2HH TRP 108 28.683 0.962 0.962 1824 H PHE 109 HN PHE 109 31.251 7.536 7.536 1825 HA PHE 109 HA PHE 109 30.160 7.134 7.134 1826 1HB PHE 109 2HB PHE 109 28.769 8.638 8.638 1827 2HB PHE 109 1HB PHE 109 28.438 8.961 8.961 1828 HD1 PHE 109 1HD PHE 109 28.123 6.528 6.528 1829 HD2 PHE 109 2HD PHE 109 27.231 7.384 7.384 1830 HE1 PHE 109 1HE PHE 109 26.510 4.670 4.670 1831 HE2 PHE 109 2HE PHE 109 25.618 5.528 5.528 1832 HZ PHE 109 HZ PHE 109 25.256 4.167 4.167 1833 H GLN 110 HN GLN 110 32.650 8.210 8.210 1834 HA GLN 110 HA GLN 110 32.613 10.946 10.946 1835 1HB GLN 110 2HB GLN 110 34.833 11.110 11.110 1836 2HB GLN 110 1HB GLN 110 33.360 11.031 11.031 1837 1HG GLN 110 2HG GLN 110 33.835 8.969 8.969 1838 2HG GLN 110 1HG GLN 110 34.730 8.478 8.478 1839 1HE2 GLN 110 2HE2 GLN 110 37.506 8.731 8.731 1840 2HE2 GLN 110 1HE2 GLN 110 36.357 7.666 7.666 1841 H GLY 111 HN GLY 111 32.826 8.449 8.449 1842 1HA GLY 111 2HA GLY 111 33.894 8.186 8.186 1843 2HA GLY 111 1HA GLY 111 35.216 9.197 9.197 1844 H ASP 112 HN ASP 112 33.662 6.087 6.087 1845 HA ASP 112 HA ASP 112 36.337 4.920 4.920 1846 1HB ASP 112 2HB ASP 112 33.916 4.825 4.825 1847 2HB ASP 112 1HB ASP 112 34.645 3.247 3.247 1848 H GLY 113 HN GLY 113 36.829 3.506 3.506 1849 1HA GLY 113 2HA GLY 113 36.598 2.021 2.021 1850 2HA GLY 113 1HA GLY 113 35.388 1.270 1.270 1851 H MET 114 HN MET 114 33.246 1.492 1.492 1852 HA MET 114 HA MET 114 32.227 3.474 3.474 1853 1HB MET 114 2HB MET 114 31.488 1.703 1.703 1854 2HB MET 114 1HB MET 114 33.122 2.345 2.345 1855 1HG MET 114 2HG MET 114 34.042 0.385 0.385 1856 2HG MET 114 1HG MET 114 32.449 -0.221 -0.221 1857 1HE MET 114 2HE MET 114 34.834 0.715 0.715 1858 2HE MET 114 1HE MET 114 35.237 -0.934 -0.934 1859 3HE MET 114 3HE MET 114 34.583 -0.617 -0.617 1860 H VAL 115 HN VAL 115 30.392 3.842 3.842 1861 HA VAL 115 HA VAL 115 28.953 1.716 1.716 1862 HB VAL 115 HB VAL 115 28.084 4.588 4.588 1863 1HG1 VAL 115 2HG1 VAL 115 26.835 2.340 2.340 1864 2HG1 VAL 115 1HG1 VAL 115 27.371 3.341 3.341 1865 3HG1 VAL 115 3HG1 VAL 115 26.327 4.026 4.026 1866 1HG2 VAL 115 2HG2 VAL 115 30.432 4.054 4.054 1867 2HG2 VAL 115 1HG2 VAL 115 29.356 5.249 5.249 1868 3HG2 VAL 115 3HG2 VAL 115 29.448 3.623 3.623 1869 H ARG 116 HN ARG 116 26.941 0.917 0.917 1870 HA ARG 116 HA ARG 116 25.938 1.650 1.650 1871 1HB ARG 116 2HB ARG 116 26.890 -0.803 -0.803 1872 2HB ARG 116 1HB ARG 116 25.160 -0.988 -0.988 1873 1HG ARG 116 2HG ARG 116 26.385 -0.018 -0.018 1874 2HG ARG 116 1HG ARG 116 25.986 -1.705 -1.705 1875 1HD ARG 116 2HD ARG 116 23.648 -1.110 -1.110 1876 2HD ARG 116 1HD ARG 116 24.031 0.592 0.592 1877 HE ARG 116 HE ARG 116 24.915 -0.560 -0.560 1878 1HH1 ARG 116 1HH2 ARG 116 21.898 -0.770 -0.770 1879 2HH1 ARG 116 2HH2 ARG 116 20.953 -1.047 -1.047 1880 1HH2 ARG 116 1HH1 ARG 116 23.682 -0.927 -0.927 1881 2HH2 ARG 116 2HH1 ARG 116 21.967 -1.138 -1.138 1882 H ARG 117 HN ARG 117 23.950 2.469 2.469 1883 HA ARG 117 HA ARG 117 22.043 1.771 1.771 1884 1HB ARG 117 2HB ARG 117 21.342 4.073 4.073 1885 2HB ARG 117 1HB ARG 117 23.071 3.959 3.959 1886 1HG ARG 117 2HG ARG 117 22.525 4.503 4.503 1887 2HG ARG 117 1HG ARG 117 21.783 5.707 5.707 1888 1HD ARG 117 2HD ARG 117 24.482 5.033 5.033 1889 2HD ARG 117 1HD ARG 117 24.424 5.640 5.640 1890 HE ARG 117 HE ARG 117 24.043 7.144 7.144 1891 1HH1 ARG 117 1HH2 ARG 117 23.055 6.897 6.897 1892 2HH1 ARG 117 2HH2 ARG 117 22.661 8.578 8.578 1893 1HH2 ARG 117 1HH1 ARG 117 23.529 9.359 9.359 1894 2HH2 ARG 117 2HH1 ARG 117 22.932 9.977 9.977 1895 H LYS 118 HN LYS 118 19.826 2.010 2.010 1896 HA LYS 118 HA LYS 118 19.306 2.306 2.306 1897 1HB LYS 118 2HB LYS 118 17.720 0.443 0.443 1898 2HB LYS 118 1HB LYS 118 19.340 -0.083 -0.083 1899 1HG LYS 118 2HG LYS 118 18.173 0.631 0.631 1900 2HG LYS 118 1HG LYS 118 16.889 -0.188 -0.188 1901 1HD LYS 118 2HD LYS 118 19.661 -1.325 -1.325 1902 2HD LYS 118 1HD LYS 118 18.380 -1.653 -1.653 1903 1HE LYS 118 2HE LYS 118 17.059 -2.760 -2.760 1904 2HE LYS 118 1HE LYS 118 18.015 -2.130 -2.130 1905 1HZ LYS 118 1HZ LYS 118 19.292 -3.858 -3.858 1906 2HZ LYS 118 3HZ LYS 118 18.352 -4.554 -4.554 1907 3HZ LYS 118 2HZ LYS 118 19.704 -3.619 -3.619 1908 H ASN 119 HN ASN 119 17.543 3.491 3.491 1909 HA ASN 119 HA ASN 119 16.070 4.695 4.695 1910 1HB ASN 119 2HB ASN 119 16.264 5.458 5.458 1911 2HB ASN 119 1HB ASN 119 15.286 6.316 6.316 1912 1HD2 ASN 119 2HD2 ASN 119 19.362 6.602 6.602 1913 2HD2 ASN 119 1HD2 ASN 119 18.593 5.249 5.249 1914 H LEU 120 HN LEU 120 14.011 4.256 4.256 1915 HA LEU 120 HA LEU 120 12.511 2.599 2.599 1916 1HB LEU 120 2HB LEU 120 12.200 2.815 2.815 1917 2HB LEU 120 1HB LEU 120 11.217 1.814 1.814 1918 HG LEU 120 HG LEU 120 14.196 1.478 1.478 1919 1HD1 LEU 120 2HD1 LEU 120 12.643 1.039 1.039 1920 2HD1 LEU 120 1HD1 LEU 120 12.128 -0.378 -0.378 1921 3HD1 LEU 120 3HD1 LEU 120 13.823 -0.188 -0.188 1922 1HD2 LEU 120 3HD2 LEU 120 12.603 0.621 0.621 1923 2HD2 LEU 120 2HD2 LEU 120 14.109 -0.143 -0.143 1924 3HD2 LEU 120 1HD2 LEU 120 12.566 -0.757 -0.757 1925 HA PRO 121 HA PRO 121 10.311 6.582 6.582 1926 1HB PRO 121 2HB PRO 121 8.753 4.734 4.734 1927 2HB PRO 121 1HB PRO 121 9.328 6.374 6.374 1928 1HG PRO 121 2HG PRO 121 10.567 4.272 4.272 1929 2HG PRO 121 1HG PRO 121 11.487 5.667 5.667 1930 1HD PRO 121 2HD PRO 121 11.132 2.971 2.971 1931 2HD PRO 121 1HD PRO 121 12.536 4.057 4.057 1932 H ILE 122 HN ILE 122 8.330 7.322 7.322 1933 HA ILE 122 HA ILE 122 6.815 5.409 5.409 1934 HB ILE 122 HB ILE 122 6.773 8.429 8.429 1935 1HG1 ILE 122 2HG1 ILE 122 8.930 7.432 7.432 1936 2HG1 ILE 122 1HG1 ILE 122 8.081 8.242 8.242 1937 1HG2 ILE 122 3HG2 ILE 122 5.447 6.337 6.337 1938 2HG2 ILE 122 2HG2 ILE 122 5.642 8.014 8.014 1939 3HG2 ILE 122 1HG2 ILE 122 4.687 7.632 7.632 1940 1HD1 ILE 122 2HD1 ILE 122 7.180 5.662 5.662 1941 2HD1 ILE 122 1HD1 ILE 122 8.862 5.458 5.458 1942 3HD1 ILE 122 3HD1 ILE 122 8.470 6.385 6.385 1943 H GLU 123 HN GLU 123 4.538 5.340 5.340 1944 HA GLU 123 HA GLU 123 3.279 6.662 6.662 1945 1HB GLU 123 2HB GLU 123 3.417 3.750 3.750 1946 2HB GLU 123 1HB GLU 123 1.921 4.376 4.376 1947 1HG GLU 123 2HG GLU 123 3.281 5.360 5.360 1948 2HG GLU 123 1HG GLU 123 4.668 4.481 4.481 1949 H TYR 124 HN TYR 124 0.963 6.850 6.850 1950 HA TYR 124 HA TYR 124 -0.045 6.695 6.695 1951 1HB TYR 124 2HB TYR 124 -0.625 8.857 8.857 1952 2HB TYR 124 1HB TYR 124 -1.326 8.754 8.754 1953 HD1 TYR 124 1HD TYR 124 1.876 9.189 9.189 1954 HD2 TYR 124 2HD TYR 124 -0.199 9.650 9.650 1955 HE1 TYR 124 1HE TYR 124 3.763 10.487 10.487 1956 HE2 TYR 124 2HE TYR 124 1.683 10.951 10.951 1957 HH TYR 124 HH TYR 124 4.631 10.938 10.938 1958 H ASN 125 HN ASN 125 -1.414 5.013 5.013 1959 HA ASN 125 HA ASN 125 -3.109 4.518 4.518 1960 1HB ASN 125 2HB ASN 125 -1.912 2.834 2.834 1961 2HB ASN 125 1HB ASN 125 -3.539 2.921 2.921 1962 1HD2 ASN 125 2HD2 ASN 125 -4.566 0.452 0.452 1963 2HD2 ASN 125 1HD2 ASN 125 -4.484 1.088 1.088 1964 H LEU 126 HN LEU 126 -4.357 6.465 6.465 1965 HA LEU 126 HA LEU 126 -5.970 7.015 7.015 1966 1HB LEU 126 2HB LEU 126 -6.005 8.046 8.046 1967 2HB LEU 126 1HB LEU 126 -7.155 8.579 8.579 1968 HG LEU 126 HG LEU 126 -4.184 8.824 8.824 1969 1HD1 LEU 126 1HD1 LEU 126 -4.805 9.994 9.994 1970 2HD1 LEU 126 3HD1 LEU 126 -6.026 10.898 10.898 1971 3HD1 LEU 126 2HD1 LEU 126 -4.316 11.103 11.103 1972 1HD2 LEU 126 2HD2 LEU 126 -5.629 8.991 8.991 1973 2HD2 LEU 126 1HD2 LEU 126 -4.842 10.526 10.526 1974 3HD2 LEU 126 3HD2 LEU 126 -6.540 10.283 10.283 Start of MODEL 13 1 1H ALA 1 1HN ALA 1 -43.479 7.072 7.072 2 2H ALA 1 3HN ALA 1 -43.339 7.524 7.524 3 3H ALA 1 2HN ALA 1 -44.645 6.534 6.534 4 HA ALA 1 HA ALA 1 -43.150 4.794 4.794 5 1HB ALA 1 1HB ALA 1 -44.037 5.395 5.395 6 2HB ALA 1 3HB ALA 1 -42.303 5.491 5.491 7 3HB ALA 1 2HB ALA 1 -43.005 4.000 4.000 8 H GLN 2 HN GLN 2 -41.000 3.898 3.898 9 HA GLN 2 HA GLN 2 -38.760 3.927 3.927 10 1HB GLN 2 2HB GLN 2 -38.770 6.545 6.545 11 2HB GLN 2 1HB GLN 2 -37.396 5.478 5.478 12 1HG GLN 2 2HG GLN 2 -39.855 4.618 4.618 13 2HG GLN 2 1HG GLN 2 -38.489 5.409 5.409 14 1HE2 GLN 2 2HE2 GLN 2 -37.667 1.997 1.997 15 2HE2 GLN 2 1HE2 GLN 2 -38.590 3.316 3.316 16 H SER 3 HN SER 3 -38.105 4.214 4.214 17 HA SER 3 HA SER 3 -38.738 6.666 6.666 18 1HB SER 3 2HB SER 3 -37.472 4.067 4.067 19 2HB SER 3 1HB SER 3 -37.724 5.442 5.442 20 HG SER 3 HG SER 3 -39.637 3.803 3.803 21 H VAL 4 HN VAL 4 -36.824 7.252 7.252 22 HA VAL 4 HA VAL 4 -34.716 8.261 8.261 23 HB VAL 4 HB VAL 4 -33.885 9.307 9.307 24 1HG1 VAL 4 3HG1 VAL 4 -36.479 9.818 9.818 25 2HG1 VAL 4 2HG1 VAL 4 -36.192 10.657 10.657 26 3HG1 VAL 4 1HG1 VAL 4 -35.069 10.862 10.862 27 1HG2 VAL 4 1HG2 VAL 4 -35.027 7.513 7.513 28 2HG2 VAL 4 3HG2 VAL 4 -35.129 9.180 9.180 29 3HG2 VAL 4 2HG2 VAL 4 -36.509 8.438 8.438 30 HA PRO 5 HA PRO 5 -31.797 5.047 5.047 31 1HB PRO 5 2HB PRO 5 -29.511 6.321 6.321 32 2HB PRO 5 1HB PRO 5 -30.692 5.789 5.789 33 1HG PRO 5 2HG PRO 5 -30.279 8.512 8.512 34 2HG PRO 5 1HG PRO 5 -30.569 8.055 8.055 35 1HD PRO 5 2HD PRO 5 -32.525 9.008 9.008 36 2HD PRO 5 1HD PRO 5 -32.841 7.857 7.857 37 HA PRO 6 HA PRO 6 -30.006 5.713 5.713 38 1HB PRO 6 2HB PRO 6 -27.736 4.249 4.249 39 2HB PRO 6 1HB PRO 6 -29.341 3.508 3.508 40 1HG PRO 6 2HG PRO 6 -27.506 3.999 3.999 41 2HG PRO 6 1HG PRO 6 -28.475 2.562 2.562 42 1HD PRO 6 2HD PRO 6 -29.244 4.430 4.430 43 2HD PRO 6 1HD PRO 6 -30.399 3.479 3.479 44 H GLY 7 HN GLY 7 -28.326 6.756 6.756 45 1HA GLY 7 2HA GLY 7 -27.005 8.829 8.829 46 2HA GLY 7 1HA GLY 7 -27.027 8.670 8.670 47 H ASP 8 HN ASP 8 -24.955 8.888 8.888 48 HA ASP 8 HA ASP 8 -23.259 6.721 6.721 49 1HB ASP 8 2HB ASP 8 -22.328 9.595 9.595 50 2HB ASP 8 1HB ASP 8 -21.519 8.213 8.213 51 H ILE 9 HN ILE 9 -21.921 5.789 5.789 52 HA ILE 9 HA ILE 9 -21.636 7.042 7.042 53 HB ILE 9 HB ILE 9 -20.886 4.822 4.822 54 1HG1 ILE 9 2HG1 ILE 9 -21.787 3.227 3.227 55 2HG1 ILE 9 1HG1 ILE 9 -20.571 4.355 4.355 56 1HG2 ILE 9 2HG2 ILE 9 -23.524 5.389 5.389 57 2HG2 ILE 9 1HG2 ILE 9 -23.200 3.681 3.681 58 3HG2 ILE 9 3HG2 ILE 9 -23.078 4.848 4.848 59 1HD1 ILE 9 2HD1 ILE 9 -19.560 3.335 3.335 60 2HD1 ILE 9 1HD1 ILE 9 -20.239 1.959 1.959 61 3HD1 ILE 9 3HD1 ILE 9 -19.021 2.976 2.976 62 H ASN 10 HN ASN 10 -19.798 8.057 8.057 63 HA ASN 10 HA ASN 10 -17.485 7.751 7.751 64 1HB ASN 10 2HB ASN 10 -16.680 9.712 9.712 65 2HB ASN 10 1HB ASN 10 -18.416 9.932 9.932 66 1HD2 ASN 10 2HD2 ASN 10 -18.154 10.581 10.581 67 2HD2 ASN 10 1HD2 ASN 10 -18.903 10.867 10.867 68 H THR 11 HN THR 11 -15.498 6.908 6.908 69 HA THR 11 HA THR 11 -15.250 5.630 5.630 70 HB THR 11 HB THR 11 -14.190 3.649 3.649 71 HG1 THR 11 1HG THR 11 -14.869 3.373 3.373 72 1HG2 THR 11 3HG2 THR 11 -17.053 4.257 4.257 73 2HG2 THR 11 2HG2 THR 11 -16.640 2.935 2.935 74 3HG2 THR 11 1HG2 THR 11 -16.120 2.885 2.885 75 H GLN 12 HN GLN 12 -13.080 5.127 5.127 76 HA GLN 12 HA GLN 12 -10.933 6.298 6.298 77 1HB GLN 12 2HB GLN 12 -10.083 7.580 7.580 78 2HB GLN 12 1HB GLN 12 -11.655 8.149 8.149 79 1HG GLN 12 2HG GLN 12 -12.488 6.457 6.457 80 2HG GLN 12 1HG GLN 12 -10.887 6.799 6.799 81 1HE2 GLN 12 2HE2 GLN 12 -11.585 10.182 10.182 82 2HE2 GLN 12 1HE2 GLN 12 -10.335 9.078 9.078 83 HA PRO 13 HA PRO 13 -9.099 5.473 5.473 84 1HB PRO 13 2HB PRO 13 -9.054 2.606 2.606 85 2HB PRO 13 1HB PRO 13 -7.832 3.857 3.857 86 1HG PRO 13 2HG PRO 13 -7.482 1.961 1.961 87 2HG PRO 13 1HG PRO 13 -6.963 3.631 3.631 88 1HD PRO 13 2HD PRO 13 -9.388 2.192 2.192 89 2HD PRO 13 1HD PRO 13 -8.317 3.327 3.327 90 H SER 14 HN SER 14 -10.179 5.604 5.604 91 HA SER 14 HA SER 14 -12.990 5.033 5.033 92 1HB SER 14 2HB SER 14 -11.270 6.781 6.781 93 2HB SER 14 1HB SER 14 -12.342 5.910 5.910 94 HG SER 14 HG SER 14 -14.100 6.683 6.683 95 H GLN 15 HN GLN 15 -10.344 4.035 4.035 96 HA GLN 15 HA GLN 15 -11.541 1.441 1.441 97 1HB GLN 15 2HB GLN 15 -11.442 3.399 3.399 98 2HB GLN 15 1HB GLN 15 -11.615 1.664 1.664 99 1HG GLN 15 2HG GLN 15 -13.667 1.804 1.804 100 2HG GLN 15 1HG GLN 15 -13.530 3.557 3.557 101 1HE2 GLN 15 2HE2 GLN 15 -14.763 3.753 3.753 102 2HE2 GLN 15 1HE2 GLN 15 -13.969 4.561 4.561 103 H LYS 16 HN LYS 16 -9.088 2.233 2.233 104 HA LYS 16 HA LYS 16 -7.300 0.771 0.771 105 1HB LYS 16 2HB LYS 16 -6.856 3.661 3.661 106 2HB LYS 16 1HB LYS 16 -5.519 2.594 2.594 107 1HG LYS 16 2HG LYS 16 -6.919 2.087 2.087 108 2HG LYS 16 1HG LYS 16 -7.729 3.604 3.604 109 1HD LYS 16 2HD LYS 16 -4.780 3.657 3.657 110 2HD LYS 16 1HD LYS 16 -5.507 3.446 3.446 111 1HE LYS 16 2HE LYS 16 -6.891 5.446 5.446 112 2HE LYS 16 1HE LYS 16 -6.092 5.667 5.667 113 1HZ LYS 16 3HZ LYS 16 -4.006 5.499 5.499 114 2HZ LYS 16 2HZ LYS 16 -5.148 6.278 6.278 115 3HZ LYS 16 1HZ LYS 16 -4.706 6.952 6.952 116 H ILE 17 HN ILE 17 -7.164 -0.785 -0.785 117 HA ILE 17 HA ILE 17 -5.750 0.045 0.045 118 HB ILE 17 HB ILE 17 -8.006 -0.640 -0.640 119 1HG1 ILE 17 2HG1 ILE 17 -6.271 -2.974 -2.974 120 2HG1 ILE 17 1HG1 ILE 17 -5.891 -1.355 -1.355 121 1HG2 ILE 17 2HG2 ILE 17 -7.338 -3.208 -3.208 122 2HG2 ILE 17 1HG2 ILE 17 -8.768 -2.950 -2.950 123 3HG2 ILE 17 3HG2 ILE 17 -8.544 -2.012 -2.012 124 1HD1 ILE 17 1HD1 ILE 17 -8.316 -1.307 -1.307 125 2HD1 ILE 17 3HD1 ILE 17 -8.273 -3.056 -3.056 126 3HD1 ILE 17 2HD1 ILE 17 -7.141 -2.282 -2.282 127 H VAL 18 HN VAL 18 -3.858 -0.952 -0.952 128 HA VAL 18 HA VAL 18 -3.295 -3.498 -3.498 129 HB VAL 18 HB VAL 18 -2.346 -1.815 -1.815 130 1HG1 VAL 18 1HG1 VAL 18 -2.136 -0.152 -0.152 131 2HG1 VAL 18 3HG1 VAL 18 -0.528 -0.853 -0.853 132 3HG1 VAL 18 2HG1 VAL 18 -0.977 -0.071 -0.071 133 1HG2 VAL 18 1HG2 VAL 18 -0.727 -3.759 -3.759 134 2HG2 VAL 18 3HG2 VAL 18 -0.792 -3.390 -3.390 135 3HG2 VAL 18 2HG2 VAL 18 0.237 -2.438 -2.438 136 H PHE 19 HN PHE 19 -2.805 -4.890 -4.890 137 HA PHE 19 HA PHE 19 -1.856 -4.083 -4.083 138 1HB PHE 19 2HB PHE 19 -1.960 -6.851 -6.851 139 2HB PHE 19 1HB PHE 19 -1.739 -6.485 -6.485 140 HD1 PHE 19 2HD PHE 19 -3.704 -4.473 -4.473 141 HD2 PHE 19 1HD PHE 19 -4.001 -7.868 -7.868 142 HE1 PHE 19 2HE PHE 19 -6.143 -4.496 -4.496 143 HE2 PHE 19 1HE PHE 19 -6.441 -7.897 -7.897 144 HZ PHE 19 HZ PHE 19 -7.515 -6.210 -6.210 145 H ASN 20 HN ASN 20 0.131 -3.222 -3.222 146 HA ASN 20 HA ASN 20 2.288 -3.975 -3.975 147 1HB ASN 20 2HB ASN 20 1.735 -1.864 -1.864 148 2HB ASN 20 1HB ASN 20 3.141 -2.667 -2.667 149 1HD2 ASN 20 2HD2 ASN 20 5.291 -1.889 -1.889 150 2HD2 ASN 20 1HD2 ASN 20 4.958 -3.061 -3.061 151 H ALA 21 HN ALA 21 4.275 -4.944 -4.944 152 HA ALA 21 HA ALA 21 3.970 -7.250 -7.250 153 1HB ALA 21 3HB ALA 21 5.643 -6.463 -6.463 154 2HB ALA 21 2HB ALA 21 6.681 -6.883 -6.883 155 3HB ALA 21 1HB ALA 21 5.506 -8.050 -8.050 156 HA PRO 22 HA PRO 22 6.189 -8.516 -8.516 157 1HB PRO 22 2HB PRO 22 6.834 -9.784 -9.784 158 2HB PRO 22 1HB PRO 22 7.986 -8.723 -8.723 159 1HG PRO 22 2HG PRO 22 6.266 -8.165 -8.165 160 2HG PRO 22 1HG PRO 22 7.968 -7.751 -7.751 161 1HD PRO 22 2HD PRO 22 5.898 -5.991 -5.991 162 2HD PRO 22 1HD PRO 22 7.443 -5.876 -5.876 163 H TYR 23 HN TYR 23 5.198 -10.614 -10.614 164 HA TYR 23 HA TYR 23 2.517 -10.320 -10.320 165 1HB TYR 23 2HB TYR 23 3.520 -12.247 -12.247 166 2HB TYR 23 1HB TYR 23 1.879 -12.216 -12.216 167 HD1 TYR 23 2HD TYR 23 1.727 -9.135 -9.135 168 HD2 TYR 23 1HD TYR 23 2.915 -11.822 -11.822 169 HE1 TYR 23 2HE TYR 23 1.103 -7.466 -7.466 170 HE2 TYR 23 1HE TYR 23 2.292 -10.157 -10.157 171 HH TYR 23 HH TYR 23 2.094 -7.279 -7.279 172 H ASP 24 HN ASP 24 4.372 -10.736 -10.736 173 HA ASP 24 HA ASP 24 4.115 -13.594 -13.594 174 1HB ASP 24 2HB ASP 24 6.363 -11.665 -11.665 175 2HB ASP 24 1HB ASP 24 6.139 -12.968 -12.968 176 H ASP 25 HN ASP 25 2.949 -10.581 -10.581 177 HA ASP 25 HA ASP 25 2.160 -11.502 -11.502 178 1HB ASP 25 2HB ASP 25 3.721 -9.090 -9.090 179 2HB ASP 25 1HB ASP 25 2.344 -8.809 -8.809 180 H LYS 26 HN LYS 26 0.156 -10.702 -10.702 181 HA LYS 26 HA LYS 26 -1.772 -10.298 -10.298 182 1HB LYS 26 2HB LYS 26 -2.169 -9.727 -9.727 183 2HB LYS 26 1HB LYS 26 -3.382 -10.205 -10.205 184 1HG LYS 26 2HG LYS 26 -2.985 -12.368 -12.368 185 2HG LYS 26 1HG LYS 26 -1.237 -12.147 -12.147 186 1HD LYS 26 2HD LYS 26 -1.302 -11.271 -11.271 187 2HD LYS 26 1HD LYS 26 -2.997 -11.761 -11.761 188 1HE LYS 26 2HE LYS 26 -0.567 -13.501 -13.501 189 2HE LYS 26 1HE LYS 26 -1.754 -13.521 -13.521 190 1HZ LYS 26 1HZ LYS 26 -3.302 -13.997 -13.997 191 2HZ LYS 26 3HZ LYS 26 -1.868 -14.742 -14.742 192 3HZ LYS 26 2HZ LYS 26 -2.603 -15.215 -15.215 193 H HIS 27 HN HIS 27 -1.935 -8.487 -8.487 194 HA HIS 27 HA HIS 27 -1.540 -5.913 -5.913 195 1HB HIS 27 2HB HIS 27 -1.154 -6.726 -6.726 196 2HB HIS 27 1HB HIS 27 -1.247 -5.038 -5.038 197 HD1 HIS 27 1HD HIS 27 0.475 -5.429 -5.429 198 HD2 HIS 27 2HD HIS 27 1.498 -6.696 -6.696 199 HE1 HIS 27 1HE HIS 27 2.995 -5.640 -5.640 200 H THR 28 HN THR 28 -3.703 -5.902 -5.902 201 HA THR 28 HA THR 28 -5.947 -6.044 -6.044 202 HB THR 28 HB THR 28 -5.726 -4.907 -4.907 203 HG1 THR 28 1HG THR 28 -6.245 -6.895 -6.895 204 1HG2 THR 28 3HG2 THR 28 -7.908 -4.821 -4.821 205 2HG2 THR 28 2HG2 THR 28 -8.281 -5.999 -5.999 206 3HG2 THR 28 1HG2 THR 28 -7.854 -4.343 -4.343 207 H TYR 29 HN TYR 29 -6.436 -4.565 -4.565 208 HA TYR 29 HA TYR 29 -5.586 -1.795 -1.795 209 1HB TYR 29 2HB TYR 29 -6.455 -3.378 -3.378 210 2HB TYR 29 1HB TYR 29 -6.424 -1.618 -1.618 211 HD1 TYR 29 1HD TYR 29 -4.360 -4.651 -4.651 212 HD2 TYR 29 2HD TYR 29 -4.352 -0.419 -0.419 213 HE1 TYR 29 1HE TYR 29 -1.959 -4.717 -4.717 214 HE2 TYR 29 2HE TYR 29 -1.950 -0.472 -0.472 215 HH TYR 29 HH TYR 29 -0.254 -1.919 -1.919 216 H HIS 30 HN HIS 30 -6.965 -0.160 -0.160 217 HA HIS 30 HA HIS 30 -9.815 -0.827 -0.827 218 1HB HIS 30 2HB HIS 30 -8.151 1.355 1.355 219 2HB HIS 30 1HB HIS 30 -9.908 1.323 1.323 220 HD1 HIS 30 1HD HIS 30 -10.028 0.926 0.926 221 HD2 HIS 30 2HD HIS 30 -7.780 -1.915 -1.915 222 HE1 HIS 30 1HE HIS 30 -9.569 -0.931 -0.931 223 H ILE 31 HN ILE 31 -11.368 0.267 0.267 224 HA ILE 31 HA ILE 31 -10.535 2.499 2.499 225 HB ILE 31 HB ILE 31 -12.306 0.207 0.207 226 1HG1 ILE 31 2HG1 ILE 31 -10.342 0.154 0.154 227 2HG1 ILE 31 1HG1 ILE 31 -9.437 0.895 0.895 228 1HG2 ILE 31 1HG2 ILE 31 -11.831 2.899 2.899 229 2HG2 ILE 31 3HG2 ILE 31 -11.734 1.590 1.590 230 3HG2 ILE 31 2HG2 ILE 31 -13.201 1.810 1.810 231 1HD1 ILE 31 1HD1 ILE 31 -10.276 -1.054 -1.054 232 2HD1 ILE 31 3HD1 ILE 31 -10.706 -1.811 -1.811 233 3HD1 ILE 31 2HD1 ILE 31 -9.028 -1.382 -1.382 234 H LYS 32 HN LYS 32 -12.090 4.086 4.086 235 HA LYS 32 HA LYS 32 -14.379 3.948 3.948 236 1HB LYS 32 2HB LYS 32 -12.524 6.038 6.038 237 2HB LYS 32 1HB LYS 32 -14.190 6.556 6.556 238 1HG LYS 32 2HG LYS 32 -14.507 5.603 5.603 239 2HG LYS 32 1HG LYS 32 -12.752 5.775 5.775 240 1HD LYS 32 2HD LYS 32 -14.338 8.076 8.076 241 2HD LYS 32 1HD LYS 32 -14.385 7.735 7.735 242 1HE LYS 32 2HE LYS 32 -11.703 7.684 7.684 243 2HE LYS 32 1HE LYS 32 -12.498 9.257 9.257 244 1HZ LYS 32 1HZ LYS 32 -12.334 7.654 7.654 245 2HZ LYS 32 3HZ LYS 32 -11.115 8.737 8.737 246 3HZ LYS 32 2HZ LYS 32 -12.683 9.301 9.301 247 H ILE 33 HN ILE 33 -16.444 4.211 4.211 248 HA ILE 33 HA ILE 33 -16.914 4.542 4.542 249 HB ILE 33 HB ILE 33 -18.601 2.898 2.898 250 1HG1 ILE 33 2HG1 ILE 33 -16.757 1.867 1.867 251 2HG1 ILE 33 1HG1 ILE 33 -16.283 1.977 1.977 252 1HG2 ILE 33 2HG2 ILE 33 -18.753 3.569 3.569 253 2HG2 ILE 33 1HG2 ILE 33 -19.377 2.022 2.022 254 3HG2 ILE 33 3HG2 ILE 33 -20.032 3.528 3.528 255 1HD1 ILE 33 2HD1 ILE 33 -18.252 0.517 0.517 256 2HD1 ILE 33 1HD1 ILE 33 -18.440 0.270 0.270 257 3HD1 ILE 33 3HD1 ILE 33 -16.962 -0.250 -0.250 258 H THR 34 HN THR 34 -18.973 5.503 5.503 259 HA THR 34 HA THR 34 -20.552 6.791 6.791 260 HB THR 34 HB THR 34 -18.811 8.492 8.492 261 HG1 THR 34 1HG THR 34 -17.993 9.219 9.219 262 1HG2 THR 34 2HG2 THR 34 -21.085 9.432 9.432 263 2HG2 THR 34 1HG2 THR 34 -20.718 9.438 9.438 264 3HG2 THR 34 3HG2 THR 34 -19.758 10.417 10.417 265 H ASN 35 HN ASN 35 -22.474 7.667 7.667 266 HA ASN 35 HA ASN 35 -22.951 7.197 7.197 267 1HB ASN 35 2HB ASN 35 -25.236 6.526 6.526 268 2HB ASN 35 1HB ASN 35 -24.086 5.508 5.508 269 1HD2 ASN 35 2HD2 ASN 35 -26.958 6.920 6.920 270 2HD2 ASN 35 1HD2 ASN 35 -26.945 6.392 6.392 271 H ALA 36 HN ALA 36 -22.452 9.375 9.375 272 HA ALA 36 HA ALA 36 -23.346 11.660 11.660 273 1HB ALA 36 1HB ALA 36 -21.828 11.436 11.436 274 2HB ALA 36 3HB ALA 36 -23.285 11.323 11.323 275 3HB ALA 36 2HB ALA 36 -22.968 12.783 12.783 276 H GLY 37 HN GLY 37 -25.229 9.395 9.395 277 1HA GLY 37 2HA GLY 37 -27.385 10.852 10.852 278 2HA GLY 37 1HA GLY 37 -27.510 9.211 9.211 279 H GLY 38 HN GLY 38 -29.457 11.326 11.326 280 1HA GLY 38 2HA GLY 38 -29.356 11.980 11.980 281 2HA GLY 38 1HA GLY 38 -30.430 12.712 12.712 282 H ARG 39 HN ARG 39 -29.734 9.368 9.368 283 HA ARG 39 HA ARG 39 -32.272 8.984 8.984 284 1HB ARG 39 2HB ARG 39 -32.055 8.518 8.518 285 2HB ARG 39 1HB ARG 39 -32.606 7.098 7.098 286 1HG ARG 39 2HG ARG 39 -33.905 9.669 9.669 287 2HG ARG 39 1HG ARG 39 -34.260 8.973 8.973 288 1HD ARG 39 2HD ARG 39 -34.386 6.871 6.871 289 2HD ARG 39 1HD ARG 39 -35.280 8.229 8.229 290 HE ARG 39 HE ARG 39 -35.919 7.647 7.647 291 1HH1 ARG 39 1HH2 ARG 39 -36.644 6.964 6.964 292 2HH1 ARG 39 2HH2 ARG 39 -38.254 6.419 6.419 293 1HH2 ARG 39 1HH1 ARG 39 -38.040 6.930 6.930 294 2HH2 ARG 39 2HH1 ARG 39 -39.048 6.399 6.399 295 H ARG 40 HN ARG 40 -32.544 6.839 6.839 296 HA ARG 40 HA ARG 40 -30.118 5.645 5.645 297 1HB ARG 40 2HB ARG 40 -32.991 4.746 4.746 298 2HB ARG 40 1HB ARG 40 -31.656 3.830 3.830 299 1HG ARG 40 2HG ARG 40 -31.482 5.188 5.188 300 2HG ARG 40 1HG ARG 40 -31.630 6.639 6.639 301 1HD ARG 40 2HD ARG 40 -33.522 6.703 6.703 302 2HD ARG 40 1HD ARG 40 -34.119 6.033 6.033 303 HE ARG 40 HE ARG 40 -33.442 3.856 3.856 304 1HH1 ARG 40 1HH2 ARG 40 -35.556 6.594 6.594 305 2HH1 ARG 40 2HH2 ARG 40 -36.682 5.745 5.745 306 1HH2 ARG 40 1HH1 ARG 40 -34.917 2.727 2.727 307 2HH2 ARG 40 2HH1 ARG 40 -36.318 3.547 3.547 308 H ILE 41 HN ILE 41 -29.226 3.622 3.622 309 HA ILE 41 HA ILE 41 -30.308 2.200 2.200 310 HB ILE 41 HB ILE 41 -28.062 2.119 2.119 311 1HG1 ILE 41 2HG1 ILE 41 -27.363 4.458 4.458 312 2HG1 ILE 41 1HG1 ILE 41 -26.871 2.809 2.809 313 1HG2 ILE 41 1HG2 ILE 41 -29.910 3.711 3.711 314 2HG2 ILE 41 3HG2 ILE 41 -29.030 4.954 4.954 315 3HG2 ILE 41 2HG2 ILE 41 -28.282 4.166 4.166 316 1HD1 ILE 41 2HD1 ILE 41 -25.771 2.760 2.760 317 2HD1 ILE 41 1HD1 ILE 41 -26.060 4.498 4.498 318 3HD1 ILE 41 3HD1 ILE 41 -25.041 3.828 3.828 319 H GLY 42 HN GLY 42 -29.101 0.170 0.170 320 1HA GLY 42 2HA GLY 42 -27.918 -0.941 -0.941 321 2HA GLY 42 1HA GLY 42 -29.079 -1.843 -1.843 322 H TRP 43 HN TRP 43 -25.805 -1.119 -1.119 323 HA TRP 43 HA TRP 43 -25.066 -2.112 -2.112 324 1HB TRP 43 2HB TRP 43 -22.804 -1.261 -1.261 325 2HB TRP 43 1HB TRP 43 -24.037 -0.004 -0.004 326 HD1 TRP 43 1HD TRP 43 -24.700 0.943 0.943 327 HE1 TRP 43 1HE TRP 43 -23.390 0.971 0.971 328 HE3 TRP 43 3HE TRP 43 -21.148 -2.564 -2.564 329 HZ2 TRP 43 2HZ TRP 43 -21.148 -0.322 -0.322 330 HZ3 TRP 43 3HZ TRP 43 -19.458 -3.110 -3.110 331 HH2 TRP 43 2HH TRP 43 -19.459 -2.012 -2.012 332 H ALA 44 HN ALA 44 -23.342 -3.630 -3.630 333 HA ALA 44 HA ALA 44 -22.690 -5.274 -5.274 334 1HB ALA 44 3HB ALA 44 -24.795 -6.183 -6.183 335 2HB ALA 44 2HB ALA 44 -23.803 -6.567 -6.567 336 3HB ALA 44 1HB ALA 44 -23.452 -7.316 -7.316 337 H ILE 45 HN ILE 45 -20.847 -6.639 -6.639 338 HA ILE 45 HA ILE 45 -19.265 -5.872 -5.872 339 HB ILE 45 HB ILE 45 -18.090 -6.602 -6.602 340 1HG1 ILE 45 2HG1 ILE 45 -19.528 -4.548 -4.548 341 2HG1 ILE 45 1HG1 ILE 45 -17.826 -4.262 -4.262 342 1HG2 ILE 45 2HG2 ILE 45 -17.039 -6.031 -6.031 343 2HG2 ILE 45 1HG2 ILE 45 -16.382 -4.930 -4.930 344 3HG2 ILE 45 3HG2 ILE 45 -16.222 -6.674 -6.674 345 1HD1 ILE 45 1HD1 ILE 45 -19.147 -3.718 -3.718 346 2HD1 ILE 45 3HD1 ILE 45 -18.836 -2.511 -2.511 347 3HD1 ILE 45 2HD1 ILE 45 -17.488 -3.327 -3.327 348 H LYS 46 HN LYS 46 -18.020 -7.416 -7.416 349 HA LYS 46 HA LYS 46 -18.011 -10.141 -10.141 350 1HB LYS 46 2HB LYS 46 -18.933 -11.108 -11.108 351 2HB LYS 46 1HB LYS 46 -20.083 -9.962 -9.962 352 1HG LYS 46 2HG LYS 46 -19.593 -8.350 -8.350 353 2HG LYS 46 1HG LYS 46 -18.180 -9.251 -9.251 354 1HD LYS 46 2HD LYS 46 -21.013 -10.272 -10.272 355 2HD LYS 46 1HD LYS 46 -20.174 -9.465 -9.465 356 1HE LYS 46 2HE LYS 46 -19.475 -11.497 -11.497 357 2HE LYS 46 1HE LYS 46 -18.386 -11.405 -11.405 358 1HZ LYS 46 1HZ LYS 46 -21.120 -12.569 -12.569 359 2HZ LYS 46 3HZ LYS 46 -19.677 -13.452 -13.452 360 3HZ LYS 46 2HZ LYS 46 -20.059 -12.500 -12.500 361 H THR 47 HN THR 47 -16.180 -11.211 -11.211 362 HA THR 47 HA THR 47 -14.354 -9.885 -9.885 363 HB THR 47 HB THR 47 -12.509 -10.783 -10.783 364 HG1 THR 47 1HG THR 47 -14.480 -11.999 -11.999 365 1HG2 THR 47 3HG2 THR 47 -14.227 -8.868 -8.868 366 2HG2 THR 47 2HG2 THR 47 -13.947 -9.958 -9.958 367 3HG2 THR 47 1HG2 THR 47 -12.581 -9.200 -9.200 368 H THR 48 HN THR 48 -13.008 -11.203 -11.203 369 HA THR 48 HA THR 48 -14.292 -13.254 -13.254 370 HB THR 48 HB THR 48 -11.783 -13.848 -13.848 371 HG1 THR 48 1HG THR 48 -10.354 -12.337 -12.337 372 1HG2 THR 48 1HG2 THR 48 -13.668 -12.271 -12.271 373 2HG2 THR 48 3HG2 THR 48 -12.339 -11.134 -11.134 374 3HG2 THR 48 2HG2 THR 48 -12.081 -12.619 -12.619 375 H ASN 49 HN ASN 49 -12.416 -13.351 -13.351 376 HA ASN 49 HA ASN 49 -13.024 -16.190 -16.190 377 1HB ASN 49 2HB ASN 49 -10.327 -15.065 -15.065 378 2HB ASN 49 1HB ASN 49 -10.498 -16.125 -16.125 379 1HD2 ASN 49 2HD2 ASN 49 -10.506 -17.598 -17.598 380 2HD2 ASN 49 1HD2 ASN 49 -10.479 -15.901 -15.901 381 H MET 50 HN MET 50 -14.125 -16.307 -16.307 382 HA MET 50 HA MET 50 -13.642 -14.371 -14.371 383 1HB MET 50 2HB MET 50 -15.841 -16.217 -16.217 384 2HB MET 50 1HB MET 50 -15.626 -15.903 -15.903 385 1HG MET 50 2HG MET 50 -15.484 -13.400 -13.400 386 2HG MET 50 1HG MET 50 -16.783 -14.240 -14.240 387 1HE MET 50 1HE MET 50 -15.679 -12.157 -12.157 388 2HE MET 50 3HE MET 50 -17.169 -11.728 -11.728 389 3HE MET 50 2HE MET 50 -16.037 -12.860 -12.860 390 H ARG 51 HN ARG 51 -11.834 -16.740 -16.740 391 HA ARG 51 HA ARG 51 -11.952 -18.230 -18.230 392 1HB ARG 51 2HB ARG 51 -9.912 -18.728 -18.728 393 2HB ARG 51 1HB ARG 51 -10.630 -19.862 -19.862 394 1HG ARG 51 2HG ARG 51 -12.056 -18.604 -18.604 395 2HG ARG 51 1HG ARG 51 -11.382 -20.234 -20.234 396 1HD ARG 51 2HD ARG 51 -12.883 -20.402 -20.402 397 2HD ARG 51 1HD ARG 51 -13.791 -19.138 -19.138 398 HE ARG 51 HE ARG 51 -13.335 -21.192 -21.192 399 1HH1 ARG 51 1HH2 ARG 51 -15.074 -20.656 -20.656 400 2HH1 ARG 51 2HH2 ARG 51 -16.306 -21.820 -21.820 401 1HH2 ARG 51 1HH1 ARG 51 -14.952 -22.726 -22.726 402 2HH2 ARG 51 2HH1 ARG 51 -16.236 -22.997 -22.997 403 H ARG 52 HN ARG 52 -9.739 -16.200 -16.200 404 HA ARG 52 HA ARG 52 -7.905 -16.070 -16.070 405 1HB ARG 52 2HB ARG 52 -7.680 -15.606 -15.606 406 2HB ARG 52 1HB ARG 52 -6.721 -14.540 -14.540 407 1HG ARG 52 2HG ARG 52 -5.180 -16.135 -16.135 408 2HG ARG 52 1HG ARG 52 -6.260 -17.048 -17.048 409 1HD ARG 52 2HD ARG 52 -6.658 -17.182 -17.182 410 2HD ARG 52 1HD ARG 52 -5.342 -18.101 -18.101 411 HE ARG 52 HE ARG 52 -7.716 -18.586 -18.586 412 1HH1 ARG 52 1HH2 ARG 52 -6.244 -19.256 -19.256 413 2HH1 ARG 52 2HH2 ARG 52 -7.100 -20.744 -20.744 414 1HH2 ARG 52 1HH1 ARG 52 -8.849 -20.543 -20.543 415 2HH2 ARG 52 2HH1 ARG 52 -8.583 -21.474 -21.474 416 H LEU 53 HN LEU 53 -9.626 -13.873 -13.873 417 HA LEU 53 HA LEU 53 -9.047 -11.572 -11.572 418 1HB LEU 53 2HB LEU 53 -11.122 -11.697 -11.697 419 2HB LEU 53 1HB LEU 53 -10.203 -10.308 -10.308 420 HG LEU 53 HG LEU 53 -9.172 -12.634 -12.634 421 1HD1 LEU 53 2HD1 LEU 53 -10.138 -9.944 -9.944 422 2HD1 LEU 53 1HD1 LEU 53 -8.568 -10.324 -10.324 423 3HD1 LEU 53 3HD1 LEU 53 -9.959 -11.354 -11.354 424 1HD2 LEU 53 3HD2 LEU 53 -7.628 -11.618 -11.618 425 2HD2 LEU 53 2HD2 LEU 53 -7.013 -11.823 -11.823 426 3HD2 LEU 53 1HD2 LEU 53 -7.545 -10.234 -10.234 427 H SER 54 HN SER 54 -10.622 -10.263 -10.263 428 HA SER 54 HA SER 54 -13.254 -11.355 -11.355 429 1HB SER 54 2HB SER 54 -11.052 -11.640 -11.640 430 2HB SER 54 1HB SER 54 -12.531 -10.953 -10.953 431 HG SER 54 HG SER 54 -12.094 -13.445 -13.445 432 H VAL 55 HN VAL 55 -14.679 -9.872 -9.872 433 HA VAL 55 HA VAL 55 -13.633 -7.146 -7.146 434 HB VAL 55 HB VAL 55 -16.315 -7.541 -7.541 435 1HG1 VAL 55 2HG1 VAL 55 -14.785 -5.345 -5.345 436 2HG1 VAL 55 1HG1 VAL 55 -14.740 -5.336 -5.336 437 3HG1 VAL 55 3HG1 VAL 55 -16.289 -5.325 -5.325 438 1HG2 VAL 55 1HG2 VAL 55 -14.648 -8.827 -8.827 439 2HG2 VAL 55 3HG2 VAL 55 -15.398 -7.485 -7.485 440 3HG2 VAL 55 2HG2 VAL 55 -13.759 -7.323 -7.323 441 H ASP 56 HN ASP 56 -14.828 -5.824 -5.824 442 HA ASP 56 HA ASP 56 -17.185 -6.733 -6.733 443 1HB ASP 56 2HB ASP 56 -15.455 -8.230 -8.230 444 2HB ASP 56 1HB ASP 56 -14.670 -6.795 -6.795 445 HA PRO 57 HA PRO 57 -18.848 -5.841 -5.841 446 1HB PRO 57 2HB PRO 57 -20.215 -3.466 -3.466 447 2HB PRO 57 1HB PRO 57 -20.535 -4.398 -4.398 448 1HG PRO 57 2HG PRO 57 -19.512 -1.892 -1.892 449 2HG PRO 57 1HG PRO 57 -19.125 -3.117 -3.117 450 1HD PRO 57 2HD PRO 57 -17.514 -2.223 -2.223 451 2HD PRO 57 1HD PRO 57 -16.981 -2.575 -2.575 452 HA PRO 58 HA PRO 58 -18.512 -6.440 -6.440 453 1HB PRO 58 2HB PRO 58 -20.176 -8.523 -8.523 454 2HB PRO 58 1HB PRO 58 -18.620 -8.683 -8.683 455 1HG PRO 58 2HG PRO 58 -21.359 -8.381 -8.381 456 2HG PRO 58 1HG PRO 58 -20.033 -9.436 -9.436 457 1HD PRO 58 2HD PRO 58 -20.649 -7.024 -7.024 458 2HD PRO 58 1HD PRO 58 -19.045 -7.783 -7.783 459 H CYS 59 HN CYS 59 -21.634 -6.138 -6.138 460 HA CYS 59 HA CYS 59 -22.649 -4.656 -4.656 461 1HB CYS 59 2HB CYS 59 -24.321 -6.729 -6.729 462 2HB CYS 59 1HB CYS 59 -24.732 -5.836 -5.836 463 HG CYS 59 HG CYS 59 -23.992 -8.222 -8.222 464 H GLY 60 HN GLY 60 -24.421 -3.230 -3.230 465 1HA GLY 60 2HA GLY 60 -25.491 -2.890 -2.890 466 2HA GLY 60 1HA GLY 60 -24.076 -1.856 -1.856 467 H VAL 61 HN VAL 61 -26.700 -0.905 -0.905 468 HA VAL 61 HA VAL 61 -27.511 0.165 0.165 469 HB VAL 61 HB VAL 61 -29.239 -0.762 -0.762 470 1HG1 VAL 61 1HG1 VAL 61 -27.960 0.413 0.413 471 2HG1 VAL 61 3HG1 VAL 61 -29.120 1.695 1.695 472 3HG1 VAL 61 2HG1 VAL 61 -29.690 0.076 0.076 473 1HG2 VAL 61 1HG2 VAL 61 -29.275 1.966 1.966 474 2HG2 VAL 61 3HG2 VAL 61 -30.287 0.569 0.569 475 3HG2 VAL 61 2HG2 VAL 61 -30.604 1.537 1.537 476 H LEU 62 HN LEU 62 -26.611 1.995 1.995 477 HA LEU 62 HA LEU 62 -25.386 3.817 3.817 478 1HB LEU 62 2HB LEU 62 -25.223 3.276 3.276 479 2HB LEU 62 1HB LEU 62 -25.327 4.995 4.995 480 HG LEU 62 HG LEU 62 -23.307 3.214 3.214 481 1HD1 LEU 62 1HD1 LEU 62 -23.375 4.202 4.202 482 2HD1 LEU 62 3HD1 LEU 62 -21.950 4.744 4.744 483 3HD1 LEU 62 2HD1 LEU 62 -22.302 3.021 3.021 484 1HD2 LEU 62 3HD2 LEU 62 -23.764 6.165 6.165 485 2HD2 LEU 62 2HD2 LEU 62 -23.477 5.180 5.180 486 3HD2 LEU 62 1HD2 LEU 62 -22.155 5.521 5.521 487 H ASP 63 HN ASP 63 -25.769 6.199 6.199 488 HA ASP 63 HA ASP 63 -28.640 6.735 6.735 489 1HB ASP 63 2HB ASP 63 -26.853 7.329 7.329 490 2HB ASP 63 1HB ASP 63 -27.770 8.726 8.726 491 HA PRO 64 HA PRO 64 -27.907 10.009 10.009 492 1HB PRO 64 2HB PRO 64 -28.969 12.232 12.232 493 2HB PRO 64 1HB PRO 64 -29.879 11.089 11.089 494 1HG PRO 64 2HG PRO 64 -29.590 11.217 11.217 495 2HG PRO 64 1HG PRO 64 -31.010 10.792 10.792 496 1HD PRO 64 2HD PRO 64 -29.557 8.914 8.914 497 2HD PRO 64 1HD PRO 64 -30.261 8.625 8.625 498 H LYS 65 HN LYS 65 -25.773 10.425 10.425 499 HA LYS 65 HA LYS 65 -23.823 11.590 11.590 500 1HB LYS 65 2HB LYS 65 -25.591 13.488 13.488 501 2HB LYS 65 1HB LYS 65 -24.933 13.390 13.390 502 1HG LYS 65 2HG LYS 65 -23.261 14.697 14.697 503 2HG LYS 65 1HG LYS 65 -22.741 13.475 13.475 504 1HD LYS 65 2HD LYS 65 -23.062 15.490 15.490 505 2HD LYS 65 1HD LYS 65 -24.427 14.439 14.439 506 1HE LYS 65 2HE LYS 65 -25.440 15.751 15.751 507 2HE LYS 65 1HE LYS 65 -24.347 16.987 16.987 508 1HZ LYS 65 3HZ LYS 65 -25.420 16.787 16.787 509 2HZ LYS 65 2HZ LYS 65 -26.478 15.617 15.617 510 3HZ LYS 65 1HZ LYS 65 -26.542 17.203 17.203 511 H GLU 66 HN GLU 66 -24.249 9.294 9.294 512 HA GLU 66 HA GLU 66 -22.757 9.937 9.937 513 1HB GLU 66 2HB GLU 66 -24.945 8.063 8.063 514 2HB GLU 66 1HB GLU 66 -23.631 7.373 7.373 515 1HG GLU 66 2HG GLU 66 -24.319 9.961 9.961 516 2HG GLU 66 1HG GLU 66 -25.759 8.950 8.950 517 H LYS 67 HN LYS 67 -21.091 8.473 8.473 518 HA LYS 67 HA LYS 67 -19.967 6.856 6.856 519 1HB LYS 67 2HB LYS 67 -17.741 7.635 7.635 520 2HB LYS 67 1HB LYS 67 -18.774 9.021 9.021 521 1HG LYS 67 2HG LYS 67 -18.861 9.626 9.626 522 2HG LYS 67 1HG LYS 67 -18.243 8.060 8.060 523 1HD LYS 67 2HD LYS 67 -16.106 8.676 8.676 524 2HD LYS 67 1HD LYS 67 -16.456 9.486 9.486 525 1HE LYS 67 2HE LYS 67 -16.380 11.466 11.466 526 2HE LYS 67 1HE LYS 67 -17.642 10.970 10.970 527 1HZ LYS 67 3HZ LYS 67 -14.737 10.451 10.451 528 2HZ LYS 67 2HZ LYS 67 -15.619 11.647 11.647 529 3HZ LYS 67 1HZ LYS 67 -15.956 10.014 10.014 530 H VAL 68 HN VAL 68 -19.180 4.896 4.896 531 HA VAL 68 HA VAL 68 -19.107 4.229 4.229 532 HB VAL 68 HB VAL 68 -19.711 1.876 1.876 533 1HG1 VAL 68 1HG1 VAL 68 -21.307 4.110 4.110 534 2HG1 VAL 68 3HG1 VAL 68 -22.137 3.234 3.234 535 3HG1 VAL 68 2HG1 VAL 68 -21.707 2.405 2.405 536 1HG2 VAL 68 3HG2 VAL 68 -19.228 2.227 2.227 537 2HG2 VAL 68 2HG2 VAL 68 -20.857 1.615 1.615 538 3HG2 VAL 68 1HG2 VAL 68 -20.609 3.319 3.319 539 H LEU 69 HN LEU 69 -17.259 3.389 3.389 540 HA LEU 69 HA LEU 69 -15.110 2.883 2.883 541 1HB LEU 69 2HB LEU 69 -15.194 4.043 4.043 542 2HB LEU 69 1HB LEU 69 -14.548 2.450 2.450 543 HG LEU 69 HG LEU 69 -13.379 4.371 4.371 544 1HD1 LEU 69 1HD1 LEU 69 -13.258 5.035 5.035 545 2HD1 LEU 69 3HD1 LEU 69 -12.207 3.634 3.634 546 3HD1 LEU 69 2HD1 LEU 69 -11.734 4.936 4.936 547 1HD2 LEU 69 1HD2 LEU 69 -12.398 1.735 1.735 548 2HD2 LEU 69 3HD2 LEU 69 -12.917 2.070 2.070 549 3HD2 LEU 69 2HD2 LEU 69 -11.455 2.826 2.826 550 H MET 70 HN MET 70 -14.469 0.922 0.922 551 HA MET 70 HA MET 70 -15.221 -1.391 -1.391 552 1HB MET 70 2HB MET 70 -15.449 -2.620 -2.620 553 2HB MET 70 1HB MET 70 -16.766 -1.581 -1.581 554 1HG MET 70 2HG MET 70 -16.364 -1.221 -1.221 555 2HG MET 70 1HG MET 70 -15.876 0.217 0.217 556 1HE MET 70 2HE MET 70 -15.358 -1.983 -1.983 557 2HE MET 70 1HE MET 70 -14.503 -0.591 -0.591 558 3HE MET 70 3HE MET 70 -13.642 -2.105 -2.105 559 H ALA 71 HN ALA 71 -13.903 -3.298 -3.298 560 HA ALA 71 HA ALA 71 -11.162 -2.582 -2.582 561 1HB ALA 71 2HB ALA 71 -11.347 -3.000 -3.000 562 2HB ALA 71 1HB ALA 71 -12.059 -4.582 -4.582 563 3HB ALA 71 3HB ALA 71 -10.386 -4.260 -4.260 564 H VAL 72 HN VAL 72 -9.855 -4.228 -4.228 565 HA VAL 72 HA VAL 72 -11.385 -6.392 -6.392 566 HB VAL 72 HB VAL 72 -9.172 -4.772 -4.772 567 1HG1 VAL 72 2HG1 VAL 72 -10.002 -7.381 -7.381 568 2HG1 VAL 72 1HG1 VAL 72 -10.748 -6.391 -6.391 569 3HG1 VAL 72 3HG1 VAL 72 -9.001 -6.349 -6.349 570 1HG2 VAL 72 1HG2 VAL 72 -12.154 -4.687 -4.687 571 2HG2 VAL 72 3HG2 VAL 72 -11.011 -3.357 -3.357 572 3HG2 VAL 72 2HG2 VAL 72 -11.124 -4.211 -4.211 573 H SER 73 HN SER 73 -10.632 -7.765 -7.765 574 HA SER 73 HA SER 73 -8.014 -8.162 -8.162 575 1HB SER 73 2HB SER 73 -10.377 -10.018 -10.018 576 2HB SER 73 1HB SER 73 -8.813 -10.583 -10.583 577 HG SER 73 HG SER 73 -9.382 -9.746 -9.746 578 H CYS 74 HN CYS 74 -6.275 -9.222 -9.222 579 HA CYS 74 HA CYS 74 -6.497 -11.023 -11.023 580 1HB CYS 74 2HB CYS 74 -5.157 -8.334 -8.334 581 2HB CYS 74 1HB CYS 74 -4.657 -9.677 -9.677 582 HG CYS 74 HG CYS 74 -7.574 -8.605 -8.605 583 H ASP 75 HN ASP 75 -5.730 -12.464 -12.464 584 HA ASP 75 HA ASP 75 -3.311 -12.109 -12.109 585 1HB ASP 75 2HB ASP 75 -3.461 -14.470 -14.470 586 2HB ASP 75 1HB ASP 75 -5.066 -13.752 -13.752 587 H THR 76 HN THR 76 -1.258 -13.026 -13.026 588 HA THR 76 HA THR 76 -0.190 -12.791 -12.791 589 HB THR 76 HB THR 76 1.374 -12.646 -12.646 590 HG1 THR 76 1HG THR 76 1.779 -15.338 -15.338 591 1HG2 THR 76 3HG2 THR 76 -0.116 -14.848 -14.848 592 2HG2 THR 76 2HG2 THR 76 1.633 -14.920 -14.920 593 3HG2 THR 76 1HG2 THR 76 0.737 -13.495 -13.495 594 H PHE 77 HN PHE 77 0.877 -14.488 -14.488 595 HA PHE 77 HA PHE 77 0.066 -17.206 -17.206 596 1HB PHE 77 2HB PHE 77 -1.401 -17.357 -17.357 597 2HB PHE 77 1HB PHE 77 -2.061 -16.180 -16.180 598 HD1 PHE 77 2HD PHE 77 -1.891 -13.765 -13.765 599 HD2 PHE 77 1HD PHE 77 -0.729 -16.730 -16.730 600 HE1 PHE 77 2HE PHE 77 -1.978 -12.084 -12.084 601 HE2 PHE 77 1HE PHE 77 -0.813 -15.054 -15.054 602 HZ PHE 77 HZ PHE 77 -1.438 -12.728 -12.728 603 H ASN 78 HN ASN 78 0.292 -18.083 -18.083 604 HA ASN 78 HA ASN 78 3.057 -17.336 -17.336 605 1HB ASN 78 2HB ASN 78 1.441 -19.830 -19.830 606 2HB ASN 78 1HB ASN 78 2.964 -19.525 -19.525 607 1HD2 ASN 78 2HD2 ASN 78 3.926 -21.546 -21.546 608 2HD2 ASN 78 1HD2 ASN 78 3.145 -21.689 -21.689 609 H ALA 79 HN ALA 79 3.294 -15.956 -15.956 610 HA ALA 79 HA ALA 79 1.236 -15.745 -15.745 611 1HB ALA 79 2HB ALA 79 2.032 -13.698 -13.698 612 2HB ALA 79 1HB ALA 79 3.666 -14.034 -14.034 613 3HB ALA 79 3HB ALA 79 2.378 -13.697 -13.697 614 H ALA 80 HN ALA 80 3.272 -17.977 -17.977 615 HA ALA 80 HA ALA 80 4.782 -17.589 -17.589 616 1HB ALA 80 3HB ALA 80 5.406 -18.842 -18.842 617 2HB ALA 80 2HB ALA 80 5.085 -20.179 -20.179 618 3HB ALA 80 1HB ALA 80 6.302 -18.970 -18.970 619 H THR 81 HN THR 81 2.134 -19.460 -19.460 620 HA THR 81 HA THR 81 1.492 -20.371 -20.371 621 HB THR 81 HB THR 81 1.091 -22.657 -22.657 622 HG1 THR 81 1HG THR 81 1.213 -23.235 -23.235 623 1HG2 THR 81 3HG2 THR 81 3.438 -21.833 -21.833 624 2HG2 THR 81 2HG2 THR 81 3.822 -22.053 -22.053 625 3HG2 THR 81 1HG2 THR 81 3.259 -23.422 -23.422 626 H GLU 82 HN GLU 82 0.133 -18.365 -18.365 627 HA GLU 82 HA GLU 82 -2.377 -19.534 -19.534 628 1HB GLU 82 2HB GLU 82 -0.897 -17.108 -17.108 629 2HB GLU 82 1HB GLU 82 -2.649 -16.979 -16.979 630 1HG GLU 82 2HG GLU 82 -1.164 -19.098 -19.098 631 2HG GLU 82 1HG GLU 82 -1.784 -17.602 -17.602 632 H ASP 83 HN ASP 83 -4.206 -17.741 -17.741 633 HA ASP 83 HA ASP 83 -4.116 -17.236 -17.236 634 1HB ASP 83 2HB ASP 83 -6.653 -16.892 -16.892 635 2HB ASP 83 1HB ASP 83 -6.008 -18.529 -18.529 636 H LEU 84 HN LEU 84 -2.848 -15.318 -15.318 637 HA LEU 84 HA LEU 84 -4.367 -13.010 -13.010 638 1HB LEU 84 2HB LEU 84 -1.392 -13.007 -13.007 639 2HB LEU 84 1HB LEU 84 -2.365 -11.928 -11.928 640 HG LEU 84 HG LEU 84 -1.601 -14.778 -14.778 641 1HD1 LEU 84 3HD1 LEU 84 -0.489 -12.269 -12.269 642 2HD1 LEU 84 2HD1 LEU 84 -1.218 -12.916 -12.916 643 3HD1 LEU 84 1HD1 LEU 84 -0.016 -13.862 -13.862 644 1HD2 LEU 84 3HD2 LEU 84 -3.946 -13.275 -13.275 645 2HD2 LEU 84 2HD2 LEU 84 -3.578 -14.991 -14.991 646 3HD2 LEU 84 1HD2 LEU 84 -2.964 -13.835 -13.835 647 H ASN 85 HN ASN 85 -5.346 -13.314 -13.314 648 HA ASN 85 HA ASN 85 -3.701 -12.387 -12.387 649 1HB ASN 85 2HB ASN 85 -6.138 -13.854 -13.854 650 2HB ASN 85 1HB ASN 85 -6.453 -12.429 -12.429 651 1HD2 ASN 85 2HD2 ASN 85 -5.103 -13.854 -13.854 652 2HD2 ASN 85 1HD2 ASN 85 -6.200 -12.746 -12.746 653 H ASN 86 HN ASN 86 -6.038 -11.110 -11.110 654 HA ASN 86 HA ASN 86 -5.370 -8.444 -8.444 655 1HB ASN 86 2HB ASN 86 -7.332 -9.524 -9.524 656 2HB ASN 86 1HB ASN 86 -7.954 -8.141 -8.141 657 1HD2 ASN 86 2HD2 ASN 86 -5.429 -7.618 -7.618 658 2HD2 ASN 86 1HD2 ASN 86 -6.178 -9.123 -9.123 659 H ASP 87 HN ASP 87 -8.210 -10.471 -10.471 660 HA ASP 87 HA ASP 87 -9.602 -10.562 -10.562 661 1HB ASP 87 2HB ASP 87 -7.099 -9.801 -9.801 662 2HB ASP 87 1HB ASP 87 -8.308 -8.763 -8.763 663 H ARG 88 HN ARG 88 -11.347 -9.348 -9.348 664 HA ARG 88 HA ARG 88 -11.331 -6.474 -6.474 665 1HB ARG 88 2HB ARG 88 -12.869 -8.283 -8.283 666 2HB ARG 88 1HB ARG 88 -13.516 -6.702 -6.702 667 1HG ARG 88 2HG ARG 88 -11.451 -5.663 -5.663 668 2HG ARG 88 1HG ARG 88 -10.871 -7.261 -7.261 669 1HD ARG 88 2HD ARG 88 -13.427 -6.001 -6.001 670 2HD ARG 88 1HD ARG 88 -11.896 -5.965 -5.965 671 HE ARG 88 HE ARG 88 -13.734 -8.139 -8.139 672 1HH1 ARG 88 1HH2 ARG 88 -10.354 -7.346 -7.346 673 2HH1 ARG 88 2HH2 ARG 88 -9.940 -8.818 -8.818 674 1HH2 ARG 88 1HH1 ARG 88 -13.199 -10.085 -10.085 675 2HH2 ARG 88 2HH1 ARG 88 -11.557 -10.376 -10.376 676 H ILE 89 HN ILE 89 -12.610 -5.505 -5.505 677 HA ILE 89 HA ILE 89 -14.432 -7.173 -7.173 678 HB ILE 89 HB ILE 89 -13.254 -4.451 -4.451 679 1HG1 ILE 89 2HG1 ILE 89 -12.754 -7.005 -7.005 680 2HG1 ILE 89 1HG1 ILE 89 -11.795 -6.584 -6.584 681 1HG2 ILE 89 3HG2 ILE 89 -15.113 -6.190 -6.190 682 2HG2 ILE 89 2HG2 ILE 89 -14.222 -4.820 -4.820 683 3HG2 ILE 89 1HG2 ILE 89 -15.418 -4.562 -4.562 684 1HD1 ILE 89 3HD1 ILE 89 -11.568 -4.301 -4.301 685 2HD1 ILE 89 2HD1 ILE 89 -11.797 -5.422 -5.422 686 3HD1 ILE 89 1HD1 ILE 89 -10.469 -5.665 -5.665 687 H THR 90 HN THR 90 -16.370 -7.168 -7.168 688 HA THR 90 HA THR 90 -17.373 -4.788 -4.788 689 HB THR 90 HB THR 90 -18.793 -7.416 -7.416 690 HG1 THR 90 1HG THR 90 -17.694 -8.208 -8.208 691 1HG2 THR 90 2HG2 THR 90 -20.193 -5.488 -5.488 692 2HG2 THR 90 1HG2 THR 90 -19.201 -5.412 -5.412 693 3HG2 THR 90 3HG2 THR 90 -20.156 -6.854 -6.854 694 H ILE 91 HN ILE 91 -18.955 -3.470 -3.470 695 HA ILE 91 HA ILE 91 -20.152 -3.977 -3.977 696 HB ILE 91 HB ILE 91 -19.449 -1.267 -1.267 697 1HG1 ILE 91 2HG1 ILE 91 -18.018 -3.018 -3.018 698 2HG1 ILE 91 1HG1 ILE 91 -17.387 -2.387 -2.387 699 1HG2 ILE 91 2HG2 ILE 91 -21.317 -1.902 -1.902 700 2HG2 ILE 91 1HG2 ILE 91 -19.894 -1.585 -1.585 701 3HG2 ILE 91 3HG2 ILE 91 -20.485 -0.350 -0.350 702 1HD1 ILE 91 1HD1 ILE 91 -17.892 -0.078 -0.078 703 2HD1 ILE 91 3HD1 ILE 91 -17.744 -1.044 -1.044 704 3HD1 ILE 91 2HD1 ILE 91 -16.402 -0.967 -0.967 705 H GLU 92 HN GLU 92 -22.286 -4.108 -4.108 706 HA GLU 92 HA GLU 92 -23.724 -2.817 -2.817 707 1HB GLU 92 2HB GLU 92 -24.480 -5.377 -5.377 708 2HB GLU 92 1HB GLU 92 -25.350 -4.636 -4.636 709 1HG GLU 92 2HG GLU 92 -23.754 -5.234 -5.234 710 2HG GLU 92 1HG GLU 92 -22.484 -5.387 -5.387 711 H TRP 93 HN TRP 93 -24.814 -1.123 -1.123 712 HA TRP 93 HA TRP 93 -26.283 -1.396 -1.396 713 1HB TRP 93 2HB TRP 93 -25.789 0.843 0.843 714 2HB TRP 93 1HB TRP 93 -24.257 0.106 0.106 715 HD1 TRP 93 1HD TRP 93 -26.438 3.041 3.041 716 HE1 TRP 93 1HE TRP 93 -25.422 4.431 4.431 717 HE3 TRP 93 3HE TRP 93 -22.878 -0.261 -0.261 718 HZ2 TRP 93 2HZ TRP 93 -23.384 4.164 4.164 719 HZ3 TRP 93 3HZ TRP 93 -21.436 0.385 0.385 720 HH2 TRP 93 2HH TRP 93 -21.686 2.551 2.551 721 H THR 94 HN THR 94 -28.397 -1.006 -1.006 722 HA THR 94 HA THR 94 -29.387 0.501 0.501 723 HB THR 94 HB THR 94 -29.881 -1.737 -1.737 724 HG1 THR 94 1HG THR 94 -32.129 -1.783 -1.783 725 1HG2 THR 94 2HG2 THR 94 -30.777 -2.096 -2.096 726 2HG2 THR 94 1HG2 THR 94 -31.121 -3.246 -3.246 727 3HG2 THR 94 3HG2 THR 94 -29.452 -2.912 -2.912 728 H ASN 95 HN ASN 95 -31.281 1.704 1.704 729 HA ASN 95 HA ASN 95 -31.592 3.044 3.044 730 1HB ASN 95 2HB ASN 95 -33.712 2.612 2.612 731 2HB ASN 95 1HB ASN 95 -33.712 3.884 3.884 732 1HD2 ASN 95 2HD2 ASN 95 -32.233 4.828 4.828 733 2HD2 ASN 95 1HD2 ASN 95 -33.548 3.772 3.772 734 H THR 96 HN THR 96 -33.080 2.952 2.952 735 HA THR 96 HA THR 96 -33.970 0.277 0.277 736 HB THR 96 HB THR 96 -34.752 1.521 1.521 737 HG1 THR 96 1HG THR 96 -34.499 3.615 3.615 738 1HG2 THR 96 2HG2 THR 96 -32.342 0.371 0.371 739 2HG2 THR 96 1HG2 THR 96 -31.891 1.946 1.946 740 3HG2 THR 96 3HG2 THR 96 -32.870 0.840 0.840 741 HA PRO 97 HA PRO 97 -38.123 0.688 0.688 742 1HB PRO 97 2HB PRO 97 -38.789 -0.937 -0.937 743 2HB PRO 97 1HB PRO 97 -39.209 -1.212 -1.212 744 1HG PRO 97 2HG PRO 97 -37.304 -2.652 -2.652 745 2HG PRO 97 1HG PRO 97 -37.136 -2.120 -2.120 746 1HD PRO 97 2HD PRO 97 -35.823 -1.067 -1.067 747 2HD PRO 97 1HD PRO 97 -35.179 -1.218 -1.218 748 H ASP 98 HN ASP 98 -40.189 1.550 1.550 749 HA ASP 98 HA ASP 98 -40.073 3.864 3.864 750 1HB ASP 98 2HB ASP 98 -42.565 3.740 3.740 751 2HB ASP 98 1HB ASP 98 -41.902 3.473 3.473 752 H GLY 99 HN GLY 99 -39.950 4.303 4.303 753 1HA GLY 99 2HA GLY 99 -39.853 3.968 3.968 754 2HA GLY 99 1HA GLY 99 -41.382 3.131 3.131 755 H ALA 100 HN ALA 100 -38.191 2.232 2.232 756 HA ALA 100 HA ALA 100 -38.481 -0.474 -0.474 757 1HB ALA 100 2HB ALA 100 -36.591 1.113 1.113 758 2HB ALA 100 1HB ALA 100 -35.745 0.027 0.027 759 3HB ALA 100 3HB ALA 100 -36.886 -0.625 -0.625 760 H ALA 101 HN ALA 101 -37.596 -1.645 -1.645 761 HA ALA 101 HA ALA 101 -37.388 -0.490 -0.490 762 1HB ALA 101 3HB ALA 101 -36.462 -3.112 -3.112 763 2HB ALA 101 2HB ALA 101 -36.126 -2.663 -2.663 764 3HB ALA 101 1HB ALA 101 -37.794 -2.776 -2.776 765 H LYS 102 HN LYS 102 -35.502 -0.529 -0.529 766 HA LYS 102 HA LYS 102 -33.273 0.821 0.821 767 1HB LYS 102 2HB LYS 102 -32.526 1.196 1.196 768 2HB LYS 102 1HB LYS 102 -34.055 1.937 1.937 769 1HG LYS 102 2HG LYS 102 -35.238 0.684 0.684 770 2HG LYS 102 1HG LYS 102 -34.271 -0.761 -0.761 771 1HD LYS 102 2HD LYS 102 -32.430 0.596 0.596 772 2HD LYS 102 1HD LYS 102 -33.829 1.454 1.454 773 1HE LYS 102 2HE LYS 102 -34.785 -0.790 -0.790 774 2HE LYS 102 1HE LYS 102 -33.230 -1.493 -1.493 775 1HZ LYS 102 2HZ LYS 102 -33.144 0.745 0.745 776 2HZ LYS 102 1HZ LYS 102 -33.825 -0.682 -0.682 777 3HZ LYS 102 3HZ LYS 102 -32.246 -0.688 -0.688 778 H GLN 103 HN GLN 103 -32.747 -1.271 -1.271 779 HA GLN 103 HA GLN 103 -30.402 -2.342 -2.342 780 1HB GLN 103 2HB GLN 103 -32.595 -3.441 -3.441 781 2HB GLN 103 1HB GLN 103 -32.211 -4.633 -4.633 782 1HG GLN 103 2HG GLN 103 -29.944 -3.592 -3.592 783 2HG GLN 103 1HG GLN 103 -31.101 -4.614 -4.614 784 1HE2 GLN 103 2HE2 GLN 103 -28.309 -6.570 -6.570 785 2HE2 GLN 103 1HE2 GLN 103 -28.315 -5.122 -5.122 786 H PHE 104 HN PHE 104 -29.285 -3.403 -3.403 787 HA PHE 104 HA PHE 104 -30.093 -3.280 -3.280 788 1HB PHE 104 2HB PHE 104 -27.751 -3.468 -3.468 789 2HB PHE 104 1HB PHE 104 -28.024 -5.083 -5.083 790 HD1 PHE 104 2HD PHE 104 -28.685 -6.922 -6.922 791 HD2 PHE 104 1HD PHE 104 -27.267 -3.134 -3.134 792 HE1 PHE 104 2HE PHE 104 -28.166 -7.890 -7.890 793 HE2 PHE 104 1HE PHE 104 -26.745 -4.094 -4.094 794 HZ PHE 104 HZ PHE 104 -27.195 -6.475 -6.475 795 H ARG 105 HN ARG 105 -30.864 -4.777 -4.777 796 HA ARG 105 HA ARG 105 -31.862 -7.318 -7.318 797 1HB ARG 105 2HB ARG 105 -33.384 -5.263 -5.263 798 2HB ARG 105 1HB ARG 105 -33.884 -6.949 -6.949 799 1HG ARG 105 2HG ARG 105 -33.453 -5.388 -5.388 800 2HG ARG 105 1HG ARG 105 -34.976 -5.303 -5.303 801 1HD ARG 105 2HD ARG 105 -34.467 -8.009 -8.009 802 2HD ARG 105 1HD ARG 105 -33.919 -7.414 -7.414 803 HE ARG 105 HE ARG 105 -36.359 -6.256 -6.256 804 1HH1 ARG 105 1HH2 ARG 105 -35.178 -9.529 -9.529 805 2HH1 ARG 105 2HH2 ARG 105 -36.664 -10.218 -10.218 806 1HH2 ARG 105 1HH1 ARG 105 -38.321 -7.151 -7.151 807 2HH2 ARG 105 2HH1 ARG 105 -38.453 -8.866 -8.866 808 H ARG 106 HN ARG 106 -32.066 -9.026 -9.026 809 HA ARG 106 HA ARG 106 -30.223 -8.805 -8.805 810 1HB ARG 106 2HB ARG 106 -30.368 -10.749 -10.749 811 2HB ARG 106 1HB ARG 106 -31.731 -11.294 -11.294 812 1HG ARG 106 2HG ARG 106 -30.003 -11.008 -11.008 813 2HG ARG 106 1HG ARG 106 -28.838 -11.222 -11.222 814 1HD ARG 106 2HD ARG 106 -29.133 -13.416 -13.416 815 2HD ARG 106 1HD ARG 106 -30.740 -13.190 -13.190 816 HE ARG 106 HE ARG 106 -30.602 -12.737 -12.737 817 1HH1 ARG 106 1HH2 ARG 106 -31.060 -15.095 -15.095 818 2HH1 ARG 106 2HH2 ARG 106 -31.932 -16.199 -16.199 819 1HH2 ARG 106 1HH1 ARG 106 -31.754 -14.184 -14.184 820 2HH2 ARG 106 2HH1 ARG 106 -32.326 -15.682 -15.682 821 H GLU 107 HN GLU 107 -33.629 -8.976 -8.976 822 HA GLU 107 HA GLU 107 -34.347 -9.789 -9.789 823 1HB GLU 107 2HB GLU 107 -35.686 -9.373 -9.373 824 2HB GLU 107 1HB GLU 107 -36.542 -8.508 -8.508 825 1HG GLU 107 2HG GLU 107 -36.653 -10.575 -10.575 826 2HG GLU 107 1HG GLU 107 -35.835 -11.433 -11.433 827 H TRP 108 HN TRP 108 -33.388 -6.838 -6.838 828 HA TRP 108 HA TRP 108 -34.901 -4.950 -4.950 829 1HB TRP 108 2HB TRP 108 -32.099 -4.968 -4.968 830 2HB TRP 108 1HB TRP 108 -32.669 -3.588 -3.588 831 HD1 TRP 108 1HD TRP 108 -35.686 -4.454 -4.454 832 HE1 TRP 108 1HE TRP 108 -36.014 -3.236 -3.236 833 HE3 TRP 108 3HE TRP 108 -30.877 -2.909 -2.909 834 HZ2 TRP 108 2HZ TRP 108 -34.442 -1.808 -1.808 835 HZ3 TRP 108 3HZ TRP 108 -30.374 -1.621 -1.621 836 HH2 TRP 108 2HH TRP 108 -32.120 -1.083 -1.083 837 H PHE 109 HN PHE 109 -32.569 -7.154 -7.154 838 HA PHE 109 HA PHE 109 -32.193 -5.607 -5.607 839 1HB PHE 109 2HB PHE 109 -30.954 -8.199 -8.199 840 2HB PHE 109 1HB PHE 109 -30.594 -7.432 -7.432 841 HD1 PHE 109 1HD PHE 109 -30.420 -6.956 -6.956 842 HD2 PHE 109 2HD PHE 109 -29.009 -5.716 -5.716 843 HE1 PHE 109 1HE PHE 109 -28.678 -5.602 -5.602 844 HE2 PHE 109 2HE PHE 109 -27.263 -4.360 -4.360 845 HZ PHE 109 HZ PHE 109 -27.096 -4.302 -4.302 846 H GLN 110 HN GLN 110 -34.809 -6.540 -6.540 847 HA GLN 110 HA GLN 110 -35.219 -8.050 -8.050 848 1HB GLN 110 2HB GLN 110 -35.890 -9.190 -9.190 849 2HB GLN 110 1HB GLN 110 -36.724 -9.708 -9.708 850 1HG GLN 110 2HG GLN 110 -34.570 -10.386 -10.386 851 2HG GLN 110 1HG GLN 110 -33.768 -9.916 -9.916 852 1HE2 GLN 110 2HE2 GLN 110 -36.258 -13.173 -13.173 853 2HE2 GLN 110 1HE2 GLN 110 -36.611 -11.823 -11.823 854 H GLY 111 HN GLY 111 -35.870 -5.405 -5.405 855 1HA GLY 111 2HA GLY 111 -38.794 -5.570 -5.570 856 2HA GLY 111 1HA GLY 111 -38.103 -4.570 -4.570 857 H ASP 112 HN ASP 112 -39.124 -2.734 -2.734 858 HA ASP 112 HA ASP 112 -38.439 -1.906 -1.906 859 1HB ASP 112 2HB ASP 112 -40.286 -1.034 -1.034 860 2HB ASP 112 1HB ASP 112 -39.556 0.297 0.297 861 H GLY 113 HN GLY 113 -37.341 0.074 0.074 862 1HA GLY 113 2HA GLY 113 -36.034 1.976 1.976 863 2HA GLY 113 1HA GLY 113 -35.425 0.912 0.912 864 H MET 114 HN MET 114 -33.286 1.473 1.473 865 HA MET 114 HA MET 114 -32.387 -0.143 -0.143 866 1HB MET 114 2HB MET 114 -32.044 2.787 2.787 867 2HB MET 114 1HB MET 114 -30.659 1.892 1.892 868 1HG MET 114 2HG MET 114 -31.564 1.646 1.646 869 2HG MET 114 1HG MET 114 -33.135 1.198 1.198 870 1HE MET 114 1HE MET 114 -33.146 2.267 2.267 871 2HE MET 114 3HE MET 114 -34.513 3.364 3.364 872 3HE MET 114 2HE MET 114 -32.949 3.987 3.987 873 H VAL 115 HN VAL 115 -30.310 -0.994 -0.994 874 HA VAL 115 HA VAL 115 -29.035 -0.615 -0.615 875 HB VAL 115 HB VAL 115 -29.064 -3.188 -3.188 876 1HG1 VAL 115 3HG1 VAL 115 -27.130 -2.738 -2.738 877 2HG1 VAL 115 2HG1 VAL 115 -28.286 -2.731 -2.731 878 3HG1 VAL 115 1HG1 VAL 115 -28.062 -4.191 -4.191 879 1HG2 VAL 115 3HG2 VAL 115 -31.049 -2.044 -2.044 880 2HG2 VAL 115 2HG2 VAL 115 -31.143 -3.479 -3.479 881 3HG2 VAL 115 1HG2 VAL 115 -30.452 -3.593 -3.593 882 H ARG 116 HN ARG 116 -26.938 -0.080 -0.080 883 HA ARG 116 HA ARG 116 -25.545 -0.099 -0.099 884 1HB ARG 116 2HB ARG 116 -25.497 1.673 1.673 885 2HB ARG 116 1HB ARG 116 -23.939 1.379 1.379 886 1HG ARG 116 2HG ARG 116 -25.306 1.949 1.949 887 2HG ARG 116 1HG ARG 116 -26.315 2.820 2.820 888 1HD ARG 116 2HD ARG 116 -24.562 4.223 4.223 889 2HD ARG 116 1HD ARG 116 -23.335 3.151 3.151 890 HE ARG 116 HE ARG 116 -25.078 4.158 4.158 891 1HH1 ARG 116 1HH2 ARG 116 -22.341 4.973 4.973 892 2HH1 ARG 116 2HH2 ARG 116 -21.712 6.139 6.139 893 1HH2 ARG 116 1HH1 ARG 116 -24.260 5.690 5.690 894 2HH2 ARG 116 2HH1 ARG 116 -22.804 6.547 6.547 895 H ARG 117 HN ARG 117 -23.657 -1.181 -1.181 896 HA ARG 117 HA ARG 117 -22.494 -2.559 -2.559 897 1HB ARG 117 2HB ARG 117 -22.059 -4.499 -4.499 898 2HB ARG 117 1HB ARG 117 -23.704 -4.288 -4.288 899 1HG ARG 117 2HG ARG 117 -24.480 -3.549 -3.549 900 2HG ARG 117 1HG ARG 117 -22.877 -3.052 -3.052 901 1HD ARG 117 2HD ARG 117 -23.753 -5.103 -5.103 902 2HD ARG 117 1HD ARG 117 -22.202 -5.322 -5.322 903 HE ARG 117 HE ARG 117 -24.365 -6.017 -6.017 904 1HH1 ARG 117 1HH2 ARG 117 -22.478 -7.159 -7.159 905 2HH1 ARG 117 2HH2 ARG 117 -22.751 -8.833 -8.833 906 1HH2 ARG 117 1HH1 ARG 117 -24.731 -8.216 -8.216 907 2HH2 ARG 117 2HH1 ARG 117 -24.033 -9.434 -9.434 908 H LYS 118 HN LYS 118 -20.631 -1.476 -1.476 909 HA LYS 118 HA LYS 118 -18.988 -0.905 -0.905 910 1HB LYS 118 2HB LYS 118 -19.537 0.676 0.676 911 2HB LYS 118 1HB LYS 118 -18.110 -0.128 -0.128 912 1HG LYS 118 2HG LYS 118 -16.739 1.049 1.049 913 2HG LYS 118 1HG LYS 118 -17.741 0.800 0.800 914 1HD LYS 118 2HD LYS 118 -17.889 3.085 3.085 915 2HD LYS 118 1HD LYS 118 -19.316 2.534 2.534 916 1HE LYS 118 2HE LYS 118 -18.352 4.068 4.068 917 2HE LYS 118 1HE LYS 118 -17.774 2.517 2.517 918 1HZ LYS 118 2HZ LYS 118 -16.217 4.242 4.242 919 2HZ LYS 118 1HZ LYS 118 -16.045 4.275 4.275 920 3HZ LYS 118 3HZ LYS 118 -15.673 2.866 2.866 921 H ASN 119 HN ASN 119 -16.586 -1.177 -1.177 922 HA ASN 119 HA ASN 119 -15.953 -3.571 -3.571 923 1HB ASN 119 2HB ASN 119 -15.390 -3.302 -3.302 924 2HB ASN 119 1HB ASN 119 -14.772 -4.588 -4.588 925 1HD2 ASN 119 2HD2 ASN 119 -18.715 -4.523 -4.523 926 2HD2 ASN 119 1HD2 ASN 119 -17.769 -3.078 -3.078 927 H LEU 120 HN LEU 120 -14.169 -3.234 -3.234 928 HA LEU 120 HA LEU 120 -12.344 -1.096 -1.096 929 1HB LEU 120 2HB LEU 120 -12.962 -2.430 -2.430 930 2HB LEU 120 1HB LEU 120 -11.425 -1.612 -1.612 931 HG LEU 120 HG LEU 120 -12.928 0.395 0.395 932 1HD1 LEU 120 3HD1 LEU 120 -14.837 -1.480 -1.480 933 2HD1 LEU 120 2HD1 LEU 120 -14.996 0.237 0.237 934 3HD1 LEU 120 1HD1 LEU 120 -15.087 -0.318 -0.318 935 1HD2 LEU 120 3HD2 LEU 120 -12.477 -0.518 -0.518 936 2HD2 LEU 120 2HD2 LEU 120 -11.521 0.619 0.619 937 3HD2 LEU 120 1HD2 LEU 120 -13.135 1.070 1.070 938 HA PRO 121 HA PRO 121 -9.764 -4.518 -4.518 939 1HB PRO 121 2HB PRO 121 -7.968 -2.250 -2.250 940 2HB PRO 121 1HB PRO 121 -8.564 -3.544 -3.544 941 1HG PRO 121 2HG PRO 121 -9.508 -1.058 -1.058 942 2HG PRO 121 1HG PRO 121 -10.570 -2.465 -2.465 943 1HD PRO 121 2HD PRO 121 -10.268 -0.631 -0.631 944 2HD PRO 121 1HD PRO 121 -11.738 -1.356 -1.356 945 H ILE 122 HN ILE 122 -8.170 -5.621 -5.621 946 HA ILE 122 HA ILE 122 -6.698 -4.275 -4.275 947 HB ILE 122 HB ILE 122 -6.966 -7.256 -7.256 948 1HG1 ILE 122 2HG1 ILE 122 -9.254 -6.238 -6.238 949 2HG1 ILE 122 1HG1 ILE 122 -8.983 -7.224 -7.224 950 1HG2 ILE 122 3HG2 ILE 122 -6.208 -5.259 -5.259 951 2HG2 ILE 122 2HG2 ILE 122 -6.963 -6.764 -6.764 952 3HG2 ILE 122 1HG2 ILE 122 -5.466 -6.807 -6.807 953 1HD1 ILE 122 1HD1 ILE 122 -8.343 -4.928 -4.928 954 2HD1 ILE 122 3HD1 ILE 122 -9.314 -4.283 -4.283 955 3HD1 ILE 122 2HD1 ILE 122 -10.031 -5.411 -5.411 956 H GLU 123 HN GLU 123 -4.461 -4.752 -4.752 957 HA GLU 123 HA GLU 123 -3.167 -6.202 -6.202 958 1HB GLU 123 2HB GLU 123 -2.745 -3.311 -3.311 959 2HB GLU 123 1HB GLU 123 -1.448 -4.259 -4.259 960 1HG GLU 123 2HG GLU 123 -2.825 -4.746 -4.746 961 2HG GLU 123 1HG GLU 123 -4.178 -3.876 -3.876 962 H TYR 124 HN TYR 124 -1.282 -7.210 -7.210 963 HA TYR 124 HA TYR 124 -0.569 -7.129 -7.129 964 1HB TYR 124 2HB TYR 124 0.085 -9.197 -9.197 965 2HB TYR 124 1HB TYR 124 0.519 -9.303 -9.303 966 HD1 TYR 124 1HD TYR 124 -2.418 -9.068 -9.068 967 HD2 TYR 124 2HD TYR 124 -0.949 -10.287 -10.287 968 HE1 TYR 124 1HE TYR 124 -4.567 -10.169 -10.169 969 HE2 TYR 124 2HE TYR 124 -3.093 -11.392 -11.392 970 HH TYR 124 HH TYR 124 -5.881 -10.894 -10.894 971 H ASN 125 HN ASN 125 0.856 -5.446 -5.446 972 HA ASN 125 HA ASN 125 2.964 -5.024 -5.024 973 1HB ASN 125 2HB ASN 125 1.786 -3.567 -3.567 974 2HB ASN 125 1HB ASN 125 3.509 -3.703 -3.703 975 1HD2 ASN 125 2HD2 ASN 125 3.907 -0.857 -0.857 976 2HD2 ASN 125 1HD2 ASN 125 3.983 -1.579 -1.579 977 H LEU 126 HN LEU 126 4.272 -6.811 -6.811 978 HA LEU 126 HA LEU 126 5.429 -7.886 -7.886 979 1HB LEU 126 2HB LEU 126 5.644 -8.691 -8.691 980 2HB LEU 126 1HB LEU 126 6.561 -9.468 -9.468 981 HG LEU 126 HG LEU 126 3.558 -9.329 -9.329 982 1HD1 LEU 126 2HD1 LEU 126 5.306 -11.070 -11.070 983 2HD1 LEU 126 1HD1 LEU 126 3.951 -11.832 -11.832 984 3HD1 LEU 126 3HD1 LEU 126 3.661 -10.509 -10.509 985 1HD2 LEU 126 2HD2 LEU 126 5.626 -11.106 -11.106 986 2HD2 LEU 126 1HD2 LEU 126 4.606 -9.908 -9.908 987 3HD2 LEU 126 3HD2 LEU 126 3.885 -11.362 -11.362 988 1H ALA 1 1HN ALA 1 43.445 -7.092 -7.092 989 2H ALA 1 3HN ALA 1 43.304 -7.550 -7.550 990 3H ALA 1 2HN ALA 1 44.610 -6.557 -6.557 991 HA ALA 1 HA ALA 1 43.114 -4.815 -4.815 992 1HB ALA 1 1HB ALA 1 43.991 -5.436 -5.436 993 2HB ALA 1 3HB ALA 1 42.256 -5.519 -5.519 994 3HB ALA 1 2HB ALA 1 42.971 -4.032 -4.032 995 H GLN 2 HN GLN 2 40.962 -3.924 -3.924 996 HA GLN 2 HA GLN 2 38.723 -3.953 -3.953 997 1HB GLN 2 2HB GLN 2 38.732 -6.576 -6.576 998 2HB GLN 2 1HB GLN 2 37.356 -5.510 -5.510 999 1HG GLN 2 2HG GLN 2 39.810 -4.655 -4.655 1000 2HG GLN 2 1HG GLN 2 38.441 -5.449 -5.449 1001 1HE2 GLN 2 2HE2 GLN 2 37.616 -2.037 -2.037 1002 2HE2 GLN 2 1HE2 GLN 2 38.536 -3.359 -3.359 1003 H SER 3 HN SER 3 38.078 -4.236 -4.236 1004 HA SER 3 HA SER 3 38.716 -6.684 -6.684 1005 1HB SER 3 2HB SER 3 37.452 -4.082 -4.082 1006 2HB SER 3 1HB SER 3 37.710 -5.456 -5.456 1007 HG SER 3 HG SER 3 39.616 -3.816 -3.816 1008 H VAL 4 HN VAL 4 36.806 -7.263 -7.263 1009 HA VAL 4 HA VAL 4 34.693 -8.279 -8.279 1010 HB VAL 4 HB VAL 4 33.873 -9.320 -9.320 1011 1HG1 VAL 4 3HG1 VAL 4 36.464 -9.830 -9.830 1012 2HG1 VAL 4 2HG1 VAL 4 36.180 -10.666 -10.666 1013 3HG1 VAL 4 1HG1 VAL 4 35.056 -10.875 -10.875 1014 1HG2 VAL 4 1HG2 VAL 4 35.019 -7.517 -7.517 1015 2HG2 VAL 4 3HG2 VAL 4 35.116 -9.182 -9.182 1016 3HG2 VAL 4 2HG2 VAL 4 36.497 -8.449 -8.449 1017 HA PRO 5 HA PRO 5 31.773 -5.064 -5.064 1018 1HB PRO 5 2HB PRO 5 29.487 -6.344 -6.344 1019 2HB PRO 5 1HB PRO 5 30.659 -5.812 -5.812 1020 1HG PRO 5 2HG PRO 5 30.257 -8.535 -8.535 1021 2HG PRO 5 1HG PRO 5 30.548 -8.077 -8.077 1022 1HD PRO 5 2HD PRO 5 32.501 -9.027 -9.027 1023 2HD PRO 5 1HD PRO 5 32.818 -7.885 -7.885 1024 HA PRO 6 HA PRO 6 29.995 -5.718 -5.718 1025 1HB PRO 6 2HB PRO 6 27.723 -4.257 -4.257 1026 2HB PRO 6 1HB PRO 6 29.327 -3.514 -3.514 1027 1HG PRO 6 2HG PRO 6 27.489 -4.013 -4.013 1028 2HG PRO 6 1HG PRO 6 28.457 -2.573 -2.573 1029 1HD PRO 6 2HD PRO 6 29.224 -4.445 -4.445 1030 2HD PRO 6 1HD PRO 6 30.380 -3.491 -3.491 1031 H GLY 7 HN GLY 7 28.320 -6.759 -6.759 1032 1HA GLY 7 2HA GLY 7 26.997 -8.838 -8.838 1033 2HA GLY 7 1HA GLY 7 27.024 -8.676 -8.676 1034 H ASP 8 HN ASP 8 24.945 -8.904 -8.904 1035 HA ASP 8 HA ASP 8 23.247 -6.737 -6.737 1036 1HB ASP 8 2HB ASP 8 22.320 -9.613 -9.613 1037 2HB ASP 8 1HB ASP 8 21.507 -8.235 -8.235 1038 H ILE 9 HN ILE 9 21.913 -5.803 -5.803 1039 HA ILE 9 HA ILE 9 21.638 -7.048 -7.048 1040 HB ILE 9 HB ILE 9 20.887 -4.826 -4.826 1041 1HG1 ILE 9 2HG1 ILE 9 21.781 -3.239 -3.239 1042 2HG1 ILE 9 1HG1 ILE 9 20.562 -4.369 -4.369 1043 1HG2 ILE 9 2HG2 ILE 9 23.523 -5.393 -5.393 1044 2HG2 ILE 9 1HG2 ILE 9 23.197 -3.685 -3.685 1045 3HG2 ILE 9 3HG2 ILE 9 23.079 -4.844 -4.844 1046 1HD1 ILE 9 2HD1 ILE 9 19.561 -3.340 -3.340 1047 2HD1 ILE 9 1HD1 ILE 9 20.239 -1.967 -1.967 1048 3HD1 ILE 9 3HD1 ILE 9 19.018 -2.985 -2.985 1049 H ASN 10 HN ASN 10 19.802 -8.060 -8.060 1050 HA ASN 10 HA ASN 10 17.484 -7.762 -7.762 1051 1HB ASN 10 2HB ASN 10 16.683 -9.721 -9.721 1052 2HB ASN 10 1HB ASN 10 18.421 -9.939 -9.939 1053 1HD2 ASN 10 2HD2 ASN 10 18.167 -10.578 -10.578 1054 2HD2 ASN 10 1HD2 ASN 10 18.910 -10.871 -10.871 1055 H THR 11 HN THR 11 15.496 -6.923 -6.923 1056 HA THR 11 HA THR 11 15.258 -5.635 -5.635 1057 HB THR 11 HB THR 11 14.191 -3.660 -3.660 1058 HG1 THR 11 1HG THR 11 14.868 -3.392 -3.392 1059 1HG2 THR 11 3HG2 THR 11 17.058 -4.261 -4.261 1060 2HG2 THR 11 2HG2 THR 11 16.634 -2.941 -2.941 1061 3HG2 THR 11 1HG2 THR 11 16.122 -2.889 -2.889 1062 H GLN 12 HN GLN 12 13.089 -5.128 -5.128 1063 HA GLN 12 HA GLN 12 10.940 -6.306 -6.306 1064 1HB GLN 12 2HB GLN 12 10.096 -7.582 -7.582 1065 2HB GLN 12 1HB GLN 12 11.666 -8.153 -8.153 1066 1HG GLN 12 2HG GLN 12 12.507 -6.456 -6.456 1067 2HG GLN 12 1HG GLN 12 10.909 -6.796 -6.796 1068 1HE2 GLN 12 2HE2 GLN 12 11.608 -10.176 -10.176 1069 2HE2 GLN 12 1HE2 GLN 12 10.357 -9.070 -9.070 1070 HA PRO 13 HA PRO 13 9.106 -5.485 -5.485 1071 1HB PRO 13 2HB PRO 13 9.051 -2.619 -2.619 1072 2HB PRO 13 1HB PRO 13 7.833 -3.873 -3.873 1073 1HG PRO 13 2HG PRO 13 7.479 -1.977 -1.977 1074 2HG PRO 13 1HG PRO 13 6.970 -3.650 -3.650 1075 1HD PRO 13 2HD PRO 13 9.395 -2.197 -2.197 1076 2HD PRO 13 1HD PRO 13 8.331 -3.328 -3.328 1077 H SER 14 HN SER 14 10.179 -5.622 -5.622 1078 HA SER 14 HA SER 14 12.989 -5.049 -5.049 1079 1HB SER 14 2HB SER 14 11.265 -6.804 -6.804 1080 2HB SER 14 1HB SER 14 12.326 -5.933 -5.933 1081 HG SER 14 HG SER 14 14.096 -6.695 -6.695 1082 H GLN 15 HN GLN 15 10.331 -4.056 -4.056 1083 HA GLN 15 HA GLN 15 11.526 -1.463 -1.463 1084 1HB GLN 15 2HB GLN 15 11.420 -3.429 -3.429 1085 2HB GLN 15 1HB GLN 15 11.591 -1.694 -1.694 1086 1HG GLN 15 2HG GLN 15 13.650 -1.827 -1.827 1087 2HG GLN 15 1HG GLN 15 13.513 -3.581 -3.581 1088 1HE2 GLN 15 2HE2 GLN 15 14.732 -3.789 -3.789 1089 2HE2 GLN 15 1HE2 GLN 15 13.948 -4.593 -4.593 1090 H LYS 16 HN LYS 16 9.074 -2.253 -2.253 1091 HA LYS 16 HA LYS 16 7.281 -0.800 -0.800 1092 1HB LYS 16 2HB LYS 16 6.840 -3.688 -3.688 1093 2HB LYS 16 1HB LYS 16 5.503 -2.623 -2.623 1094 1HG LYS 16 2HG LYS 16 6.899 -2.127 -2.127 1095 2HG LYS 16 1HG LYS 16 7.709 -3.642 -3.642 1096 1HD LYS 16 2HD LYS 16 4.761 -3.696 -3.696 1097 2HD LYS 16 1HD LYS 16 5.481 -3.485 -3.485 1098 1HE LYS 16 2HE LYS 16 6.869 -5.484 -5.484 1099 2HE LYS 16 1HE LYS 16 6.079 -5.707 -5.707 1100 1HZ LYS 16 3HZ LYS 16 3.984 -5.543 -5.543 1101 2HZ LYS 16 2HZ LYS 16 5.121 -6.317 -6.317 1102 3HZ LYS 16 1HZ LYS 16 4.691 -6.995 -6.995 1103 H ILE 17 HN ILE 17 7.151 0.760 0.760 1104 HA ILE 17 HA ILE 17 5.741 -0.063 -0.063 1105 HB ILE 17 HB ILE 17 7.998 0.623 0.623 1106 1HG1 ILE 17 2HG1 ILE 17 6.263 2.958 2.958 1107 2HG1 ILE 17 1HG1 ILE 17 5.888 1.341 1.341 1108 1HG2 ILE 17 2HG2 ILE 17 7.328 3.186 3.186 1109 2HG2 ILE 17 1HG2 ILE 17 8.760 2.933 2.933 1110 3HG2 ILE 17 3HG2 ILE 17 8.533 1.990 1.990 1111 1HD1 ILE 17 1HD1 ILE 17 8.315 1.299 1.299 1112 2HD1 ILE 17 3HD1 ILE 17 8.272 3.046 3.046 1113 3HD1 ILE 17 2HD1 ILE 17 7.144 2.279 2.279 1114 H VAL 18 HN VAL 18 3.851 0.937 0.937 1115 HA VAL 18 HA VAL 18 3.281 3.478 3.478 1116 HB VAL 18 HB VAL 18 2.329 1.787 1.787 1117 1HG1 VAL 18 1HG1 VAL 18 2.125 0.134 0.134 1118 2HG1 VAL 18 3HG1 VAL 18 0.517 0.836 0.836 1119 3HG1 VAL 18 2HG1 VAL 18 0.964 0.045 0.045 1120 1HG2 VAL 18 1HG2 VAL 18 0.708 3.732 3.732 1121 2HG2 VAL 18 3HG2 VAL 18 0.774 3.361 3.361 1122 3HG2 VAL 18 2HG2 VAL 18 -0.252 2.405 2.405 1123 H PHE 19 HN PHE 19 2.796 4.872 4.872 1124 HA PHE 19 HA PHE 19 1.856 4.073 4.073 1125 1HB PHE 19 2HB PHE 19 1.954 6.836 6.836 1126 2HB PHE 19 1HB PHE 19 1.738 6.477 6.477 1127 HD1 PHE 19 2HD PHE 19 3.706 4.469 4.469 1128 HD2 PHE 19 1HD PHE 19 3.994 7.854 7.854 1129 HE1 PHE 19 2HE PHE 19 6.146 4.497 4.497 1130 HE2 PHE 19 1HE PHE 19 6.435 7.887 7.887 1131 HZ PHE 19 HZ PHE 19 7.514 6.207 6.207 1132 H ASN 20 HN ASN 20 -0.130 3.209 3.209 1133 HA ASN 20 HA ASN 20 -2.295 3.952 3.952 1134 1HB ASN 20 2HB ASN 20 -1.734 1.848 1.848 1135 2HB ASN 20 1HB ASN 20 -3.137 2.652 2.652 1136 1HD2 ASN 20 2HD2 ASN 20 -5.299 1.868 1.868 1137 2HD2 ASN 20 1HD2 ASN 20 -4.961 3.043 3.043 1138 H ALA 21 HN ALA 21 -4.281 4.926 4.926 1139 HA ALA 21 HA ALA 21 -3.970 7.234 7.234 1140 1HB ALA 21 3HB ALA 21 -5.647 6.443 6.443 1141 2HB ALA 21 2HB ALA 21 -6.684 6.866 6.866 1142 3HB ALA 21 1HB ALA 21 -5.510 8.032 8.032 1143 HA PRO 22 HA PRO 22 -6.188 8.503 8.503 1144 1HB PRO 22 2HB PRO 22 -6.819 9.776 9.776 1145 2HB PRO 22 1HB PRO 22 -7.977 8.719 8.719 1146 1HG PRO 22 2HG PRO 22 -6.254 8.160 8.160 1147 2HG PRO 22 1HG PRO 22 -7.956 7.745 7.745 1148 1HD PRO 22 2HD PRO 22 -5.883 5.987 5.987 1149 2HD PRO 22 1HD PRO 22 -7.433 5.867 5.867 1150 H TYR 23 HN TYR 23 -5.198 10.605 10.605 1151 HA TYR 23 HA TYR 23 -2.511 10.313 10.313 1152 1HB TYR 23 2HB TYR 23 -3.517 12.237 12.237 1153 2HB TYR 23 1HB TYR 23 -1.875 12.204 12.204 1154 HD1 TYR 23 2HD TYR 23 -1.724 9.125 9.125 1155 HD2 TYR 23 1HD TYR 23 -2.924 11.805 11.805 1156 HE1 TYR 23 2HE TYR 23 -1.108 7.452 7.452 1157 HE2 TYR 23 1HE TYR 23 -2.310 10.135 10.135 1158 HH TYR 23 HH TYR 23 -2.110 7.260 7.260 1159 H ASP 24 HN ASP 24 -4.363 10.734 10.734 1160 HA ASP 24 HA ASP 24 -4.103 13.594 13.594 1161 1HB ASP 24 2HB ASP 24 -6.351 11.669 11.669 1162 2HB ASP 24 1HB ASP 24 -6.124 12.973 12.973 1163 H ASP 25 HN ASP 25 -2.933 10.585 10.585 1164 HA ASP 25 HA ASP 25 -2.138 11.515 11.515 1165 1HB ASP 25 2HB ASP 25 -3.698 9.099 9.099 1166 2HB ASP 25 1HB ASP 25 -2.318 8.824 8.824 1167 H LYS 26 HN LYS 26 -0.131 10.719 10.719 1168 HA LYS 26 HA LYS 26 1.791 10.313 10.313 1169 1HB LYS 26 2HB LYS 26 2.200 9.752 9.752 1170 2HB LYS 26 1HB LYS 26 3.408 10.227 10.227 1171 1HG LYS 26 2HG LYS 26 3.008 12.391 12.391 1172 2HG LYS 26 1HG LYS 26 1.260 12.165 12.165 1173 1HD LYS 26 2HD LYS 26 1.342 11.296 11.296 1174 2HD LYS 26 1HD LYS 26 3.034 11.798 11.798 1175 1HE LYS 26 2HE LYS 26 0.592 13.524 13.524 1176 2HE LYS 26 1HE LYS 26 1.777 13.551 13.551 1177 1HZ LYS 26 1HZ LYS 26 3.326 14.028 14.028 1178 2HZ LYS 26 3HZ LYS 26 1.889 14.768 14.768 1179 3HZ LYS 26 2HZ LYS 26 2.624 15.244 15.244 1180 H HIS 27 HN HIS 27 1.950 8.498 8.498 1181 HA HIS 27 HA HIS 27 1.564 5.929 5.929 1182 1HB HIS 27 2HB HIS 27 1.170 6.733 6.733 1183 2HB HIS 27 1HB HIS 27 1.266 5.045 5.045 1184 HD1 HIS 27 1HD HIS 27 -0.446 5.441 5.441 1185 HD2 HIS 27 2HD HIS 27 -1.485 6.698 6.698 1186 HE1 HIS 27 1HE HIS 27 -2.967 5.647 5.647 1187 H THR 28 HN THR 28 3.727 5.913 5.913 1188 HA THR 28 HA THR 28 5.968 6.056 6.056 1189 HB THR 28 HB THR 28 5.753 4.927 4.927 1190 HG1 THR 28 1HG THR 28 6.263 6.916 6.916 1191 1HG2 THR 28 3HG2 THR 28 7.934 4.842 4.842 1192 2HG2 THR 28 2HG2 THR 28 8.305 6.022 6.022 1193 3HG2 THR 28 1HG2 THR 28 7.883 4.367 4.367 1194 H TYR 29 HN TYR 29 6.451 4.575 4.575 1195 HA TYR 29 HA TYR 29 5.606 1.806 1.806 1196 1HB TYR 29 2HB TYR 29 6.468 3.385 3.385 1197 2HB TYR 29 1HB TYR 29 6.439 1.624 1.624 1198 HD1 TYR 29 1HD TYR 29 4.370 4.656 4.656 1199 HD2 TYR 29 2HD TYR 29 4.368 0.422 0.422 1200 HE1 TYR 29 1HE TYR 29 1.967 4.715 4.715 1201 HE2 TYR 29 2HE TYR 29 1.964 0.470 0.470 1202 HH TYR 29 HH TYR 29 0.262 1.917 1.917 1203 H HIS 30 HN HIS 30 6.987 0.172 0.172 1204 HA HIS 30 HA HIS 30 9.838 0.842 0.842 1205 1HB HIS 30 2HB HIS 30 8.179 -1.336 -1.336 1206 2HB HIS 30 1HB HIS 30 9.936 -1.302 -1.302 1207 HD1 HIS 30 1HD HIS 30 10.064 -0.897 -0.897 1208 HD2 HIS 30 2HD HIS 30 7.812 1.938 1.938 1209 HE1 HIS 30 1HE HIS 30 9.612 0.968 0.968 1210 H ILE 31 HN ILE 31 11.389 -0.257 -0.257 1211 HA ILE 31 HA ILE 31 10.550 -2.493 -2.493 1212 HB ILE 31 HB ILE 31 12.315 -0.202 -0.202 1213 1HG1 ILE 31 2HG1 ILE 31 10.345 -0.157 -0.157 1214 2HG1 ILE 31 1HG1 ILE 31 9.446 -0.895 -0.895 1215 1HG2 ILE 31 1HG2 ILE 31 11.847 -2.899 -2.899 1216 2HG2 ILE 31 3HG2 ILE 31 11.734 -1.597 -1.597 1217 3HG2 ILE 31 2HG2 ILE 31 13.208 -1.803 -1.803 1218 1HD1 ILE 31 1HD1 ILE 31 10.289 1.061 1.061 1219 2HD1 ILE 31 3HD1 ILE 31 10.708 1.814 1.814 1220 3HD1 ILE 31 2HD1 ILE 31 9.033 1.381 1.381 1221 H LYS 32 HN LYS 32 12.107 -4.080 -4.080 1222 HA LYS 32 HA LYS 32 14.400 -3.936 -3.936 1223 1HB LYS 32 2HB LYS 32 12.539 -6.025 -6.025 1224 2HB LYS 32 1HB LYS 32 14.203 -6.549 -6.549 1225 1HG LYS 32 2HG LYS 32 14.528 -5.581 -5.581 1226 2HG LYS 32 1HG LYS 32 12.774 -5.761 -5.761 1227 1HD LYS 32 2HD LYS 32 14.368 -8.058 -8.058 1228 2HD LYS 32 1HD LYS 32 14.416 -7.710 -7.710 1229 1HE LYS 32 2HE LYS 32 11.733 -7.677 -7.677 1230 2HE LYS 32 1HE LYS 32 12.535 -9.247 -9.247 1231 1HZ LYS 32 1HZ LYS 32 12.377 -7.631 -7.631 1232 2HZ LYS 32 3HZ LYS 32 11.152 -8.713 -8.713 1233 3HZ LYS 32 2HZ LYS 32 12.720 -9.281 -9.281 1234 H ILE 33 HN ILE 33 16.461 -4.192 -4.192 1235 HA ILE 33 HA ILE 33 16.927 -4.536 -4.536 1236 HB ILE 33 HB ILE 33 18.615 -2.882 -2.882 1237 1HG1 ILE 33 2HG1 ILE 33 16.764 -1.863 -1.863 1238 2HG1 ILE 33 1HG1 ILE 33 16.295 -1.968 -1.968 1239 1HG2 ILE 33 2HG2 ILE 33 18.760 -3.562 -3.562 1240 2HG2 ILE 33 1HG2 ILE 33 19.383 -2.013 -2.013 1241 3HG2 ILE 33 3HG2 ILE 33 20.042 -3.517 -3.517 1242 1HD1 ILE 33 2HD1 ILE 33 18.263 -0.503 -0.503 1243 2HD1 ILE 33 1HD1 ILE 33 18.445 -0.261 -0.261 1244 3HD1 ILE 33 3HD1 ILE 33 16.969 0.259 0.259 1245 H THR 34 HN THR 34 18.981 -5.501 -5.501 1246 HA THR 34 HA THR 34 20.571 -6.780 -6.780 1247 HB THR 34 HB THR 34 18.827 -8.489 -8.489 1248 HG1 THR 34 1HG THR 34 18.010 -9.209 -9.209 1249 1HG2 THR 34 2HG2 THR 34 21.104 -9.424 -9.424 1250 2HG2 THR 34 1HG2 THR 34 20.737 -9.427 -9.427 1251 3HG2 THR 34 3HG2 THR 34 19.779 -10.410 -10.410 1252 H ASN 35 HN ASN 35 22.492 -7.656 -7.656 1253 HA ASN 35 HA ASN 35 22.957 -7.195 -7.195 1254 1HB ASN 35 2HB ASN 35 25.245 -6.521 -6.521 1255 2HB ASN 35 1HB ASN 35 24.097 -5.500 -5.500 1256 1HD2 ASN 35 2HD2 ASN 35 26.974 -6.905 -6.905 1257 2HD2 ASN 35 1HD2 ASN 35 26.957 -6.384 -6.384 1258 H ALA 36 HN ALA 36 22.458 -9.378 -9.378 1259 HA ALA 36 HA ALA 36 23.360 -11.656 -11.656 1260 1HB ALA 36 1HB ALA 36 21.834 -11.443 -11.443 1261 2HB ALA 36 3HB ALA 36 23.288 -11.334 -11.334 1262 3HB ALA 36 2HB ALA 36 22.975 -12.788 -12.788 1263 H GLY 37 HN GLY 37 25.234 -9.396 -9.396 1264 1HA GLY 37 2HA GLY 37 27.389 -10.857 -10.857 1265 2HA GLY 37 1HA GLY 37 27.514 -9.212 -9.212 1266 H GLY 38 HN GLY 38 29.463 -11.331 -11.331 1267 1HA GLY 38 2HA GLY 38 29.372 -11.964 -11.964 1268 2HA GLY 38 1HA GLY 38 30.441 -12.704 -12.704 1269 H ARG 39 HN ARG 39 29.750 -9.356 -9.356 1270 HA ARG 39 HA ARG 39 32.291 -8.963 -8.963 1271 1HB ARG 39 2HB ARG 39 32.063 -8.502 -8.502 1272 2HB ARG 39 1HB ARG 39 32.617 -7.082 -7.082 1273 1HG ARG 39 2HG ARG 39 33.920 -9.650 -9.650 1274 2HG ARG 39 1HG ARG 39 34.267 -8.959 -8.959 1275 1HD ARG 39 2HD ARG 39 34.398 -6.852 -6.852 1276 2HD ARG 39 1HD ARG 39 35.295 -8.207 -8.207 1277 HE ARG 39 HE ARG 39 35.927 -7.636 -7.636 1278 1HH1 ARG 39 1HH2 ARG 39 36.658 -6.940 -6.940 1279 2HH1 ARG 39 2HH2 ARG 39 38.269 -6.396 -6.396 1280 1HH2 ARG 39 1HH1 ARG 39 38.046 -6.920 -6.920 1281 2HH2 ARG 39 2HH1 ARG 39 39.058 -6.383 -6.383 1282 H ARG 40 HN ARG 40 32.565 -6.814 -6.814 1283 HA ARG 40 HA ARG 40 30.137 -5.623 -5.623 1284 1HB ARG 40 2HB ARG 40 33.009 -4.716 -4.716 1285 2HB ARG 40 1HB ARG 40 31.674 -3.801 -3.801 1286 1HG ARG 40 2HG ARG 40 31.511 -5.152 -5.152 1287 2HG ARG 40 1HG ARG 40 31.654 -6.607 -6.607 1288 1HD ARG 40 2HD ARG 40 33.554 -6.666 -6.666 1289 2HD ARG 40 1HD ARG 40 34.143 -5.999 -5.999 1290 HE ARG 40 HE ARG 40 33.472 -3.818 -3.818 1291 1HH1 ARG 40 1HH2 ARG 40 35.589 -6.555 -6.555 1292 2HH1 ARG 40 2HH2 ARG 40 36.716 -5.704 -5.704 1293 1HH2 ARG 40 1HH1 ARG 40 34.950 -2.687 -2.687 1294 2HH2 ARG 40 2HH1 ARG 40 36.353 -3.504 -3.504 1295 H ILE 41 HN ILE 41 29.239 -3.607 -3.607 1296 HA ILE 41 HA ILE 41 30.310 -2.190 -2.190 1297 HB ILE 41 HB ILE 41 28.061 -2.113 -2.113 1298 1HG1 ILE 41 2HG1 ILE 41 27.370 -4.446 -4.446 1299 2HG1 ILE 41 1HG1 ILE 41 26.879 -2.797 -2.797 1300 1HG2 ILE 41 1HG2 ILE 41 29.909 -3.707 -3.707 1301 2HG2 ILE 41 3HG2 ILE 41 29.034 -4.947 -4.947 1302 3HG2 ILE 41 2HG2 ILE 41 28.278 -4.167 -4.167 1303 1HD1 ILE 41 2HD1 ILE 41 25.772 -2.753 -2.753 1304 2HD1 ILE 41 1HD1 ILE 41 26.061 -4.491 -4.491 1305 3HD1 ILE 41 3HD1 ILE 41 25.047 -3.818 -3.818 1306 H GLY 42 HN GLY 42 29.100 -0.162 -0.162 1307 1HA GLY 42 2HA GLY 42 27.931 0.963 0.963 1308 2HA GLY 42 1HA GLY 42 29.088 1.859 1.859 1309 H TRP 43 HN TRP 43 25.814 1.135 1.135 1310 HA TRP 43 HA TRP 43 25.064 2.118 2.118 1311 1HB TRP 43 2HB TRP 43 22.807 1.261 1.261 1312 2HB TRP 43 1HB TRP 43 24.043 0.009 0.009 1313 HD1 TRP 43 1HD TRP 43 24.712 -0.928 -0.928 1314 HE1 TRP 43 1HE TRP 43 23.411 -0.949 -0.949 1315 HE3 TRP 43 3HE TRP 43 21.154 2.572 2.572 1316 HZ2 TRP 43 2HZ TRP 43 21.171 0.348 0.348 1317 HZ3 TRP 43 3HZ TRP 43 19.469 3.124 3.124 1318 HH2 TRP 43 2HH TRP 43 19.478 2.034 2.034 1319 H ALA 44 HN ALA 44 23.342 3.636 3.636 1320 HA ALA 44 HA ALA 44 22.694 5.284 5.284 1321 1HB ALA 44 3HB ALA 44 24.795 6.192 6.192 1322 2HB ALA 44 2HB ALA 44 23.804 6.568 6.568 1323 3HB ALA 44 1HB ALA 44 23.450 7.325 7.325 1324 H ILE 45 HN ILE 45 20.847 6.645 6.645 1325 HA ILE 45 HA ILE 45 19.259 5.869 5.869 1326 HB ILE 45 HB ILE 45 18.094 6.609 6.609 1327 1HG1 ILE 45 2HG1 ILE 45 19.530 4.556 4.556 1328 2HG1 ILE 45 1HG1 ILE 45 17.829 4.268 4.268 1329 1HG2 ILE 45 2HG2 ILE 45 17.033 6.027 6.027 1330 2HG2 ILE 45 1HG2 ILE 45 16.379 4.935 4.935 1331 3HG2 ILE 45 3HG2 ILE 45 16.224 6.679 6.679 1332 1HD1 ILE 45 1HD1 ILE 45 19.153 3.715 3.715 1333 2HD1 ILE 45 3HD1 ILE 45 18.843 2.514 2.514 1334 3HD1 ILE 45 2HD1 ILE 45 17.494 3.324 3.324 1335 H LYS 46 HN LYS 46 18.006 7.411 7.411 1336 HA LYS 46 HA LYS 46 18.000 10.140 10.140 1337 1HB LYS 46 2HB LYS 46 18.919 11.099 11.099 1338 2HB LYS 46 1HB LYS 46 20.070 9.955 9.955 1339 1HG LYS 46 2HG LYS 46 19.576 8.338 8.338 1340 2HG LYS 46 1HG LYS 46 18.162 9.239 9.239 1341 1HD LYS 46 2HD LYS 46 20.994 10.262 10.262 1342 2HD LYS 46 1HD LYS 46 20.156 9.448 9.448 1343 1HE LYS 46 2HE LYS 46 19.449 11.475 11.475 1344 2HE LYS 46 1HE LYS 46 18.366 11.390 11.390 1345 1HZ LYS 46 1HZ LYS 46 21.099 12.555 12.555 1346 2HZ LYS 46 3HZ LYS 46 19.654 13.437 13.437 1347 3HZ LYS 46 2HZ LYS 46 20.044 12.492 12.492 1348 H THR 47 HN THR 47 16.168 11.205 11.205 1349 HA THR 47 HA THR 47 14.334 9.873 9.873 1350 HB THR 47 HB THR 47 12.496 10.776 10.776 1351 HG1 THR 47 1HG THR 47 14.476 12.001 12.001 1352 1HG2 THR 47 3HG2 THR 47 14.219 8.866 8.866 1353 2HG2 THR 47 2HG2 THR 47 13.941 9.962 9.962 1354 3HG2 THR 47 1HG2 THR 47 12.574 9.198 9.198 1355 H THR 48 HN THR 48 12.987 11.186 11.186 1356 HA THR 48 HA THR 48 14.265 13.234 13.234 1357 HB THR 48 HB THR 48 11.753 13.824 13.824 1358 HG1 THR 48 1HG THR 48 10.329 12.305 12.305 1359 1HG2 THR 48 1HG2 THR 48 13.638 12.244 12.244 1360 2HG2 THR 48 3HG2 THR 48 12.307 11.110 11.110 1361 3HG2 THR 48 2HG2 THR 48 12.050 12.595 12.595 1362 H ASN 49 HN ASN 49 12.398 13.338 13.338 1363 HA ASN 49 HA ASN 49 13.004 16.179 16.179 1364 1HB ASN 49 2HB ASN 49 10.307 15.051 15.051 1365 2HB ASN 49 1HB ASN 49 10.481 16.115 16.115 1366 1HD2 ASN 49 2HD2 ASN 49 10.477 17.576 17.576 1367 2HD2 ASN 49 1HD2 ASN 49 10.455 15.881 15.881 1368 H MET 50 HN MET 50 14.111 16.302 16.302 1369 HA MET 50 HA MET 50 13.638 14.374 14.374 1370 1HB MET 50 2HB MET 50 15.831 16.219 16.219 1371 2HB MET 50 1HB MET 50 15.623 15.914 15.914 1372 1HG MET 50 2HG MET 50 15.480 13.405 13.405 1373 2HG MET 50 1HG MET 50 16.776 14.241 14.241 1374 1HE MET 50 1HE MET 50 15.679 12.168 12.168 1375 2HE MET 50 3HE MET 50 17.173 11.740 11.740 1376 3HE MET 50 2HE MET 50 16.044 12.874 12.874 1377 H ARG 51 HN ARG 51 11.825 16.737 16.737 1378 HA ARG 51 HA ARG 51 11.950 18.238 18.238 1379 1HB ARG 51 2HB ARG 51 9.902 18.721 18.721 1380 2HB ARG 51 1HB ARG 51 10.617 19.862 19.862 1381 1HG ARG 51 2HG ARG 51 12.042 18.601 18.601 1382 2HG ARG 51 1HG ARG 51 11.364 20.231 20.231 1383 1HD ARG 51 2HD ARG 51 12.870 20.410 20.410 1384 2HD ARG 51 1HD ARG 51 13.778 19.142 19.142 1385 HE ARG 51 HE ARG 51 13.314 21.190 21.190 1386 1HH1 ARG 51 1HH2 ARG 51 15.069 20.661 20.661 1387 2HH1 ARG 51 2HH2 ARG 51 16.300 21.821 21.821 1388 1HH2 ARG 51 1HH1 ARG 51 14.932 22.717 22.717 1389 2HH2 ARG 51 2HH1 ARG 51 16.222 22.991 22.991 1390 H ARG 52 HN ARG 52 9.736 16.198 16.198 1391 HA ARG 52 HA ARG 52 7.909 16.074 16.074 1392 1HB ARG 52 2HB ARG 52 7.675 15.602 15.602 1393 2HB ARG 52 1HB ARG 52 6.720 14.540 14.540 1394 1HG ARG 52 2HG ARG 52 5.179 16.134 16.134 1395 2HG ARG 52 1HG ARG 52 6.263 17.050 17.050 1396 1HD ARG 52 2HD ARG 52 6.648 17.176 17.176 1397 2HD ARG 52 1HD ARG 52 5.333 18.095 18.095 1398 HE ARG 52 HE ARG 52 7.711 18.589 18.589 1399 1HH1 ARG 52 1HH2 ARG 52 6.227 19.246 19.246 1400 2HH1 ARG 52 2HH2 ARG 52 7.082 20.734 20.734 1401 1HH2 ARG 52 1HH1 ARG 52 8.840 20.546 20.546 1402 2HH2 ARG 52 2HH1 ARG 52 8.567 21.473 21.473 1403 H LEU 53 HN LEU 53 9.623 13.869 13.869 1404 HA LEU 53 HA LEU 53 9.051 11.575 11.575 1405 1HB LEU 53 2HB LEU 53 11.119 11.693 11.693 1406 2HB LEU 53 1HB LEU 53 10.200 10.306 10.306 1407 HG LEU 53 HG LEU 53 9.162 12.628 12.628 1408 1HD1 LEU 53 2HD1 LEU 53 10.129 9.938 9.938 1409 2HD1 LEU 53 1HD1 LEU 53 8.558 10.318 10.318 1410 3HD1 LEU 53 3HD1 LEU 53 9.949 11.348 11.348 1411 1HD2 LEU 53 3HD2 LEU 53 7.629 11.608 11.608 1412 2HD2 LEU 53 2HD2 LEU 53 7.006 11.816 11.816 1413 3HD2 LEU 53 1HD2 LEU 53 7.540 10.227 10.227 1414 H SER 54 HN SER 54 10.630 10.270 10.270 1415 HA SER 54 HA SER 54 13.262 11.368 11.368 1416 1HB SER 54 2HB SER 54 11.062 11.657 11.657 1417 2HB SER 54 1HB SER 54 12.541 10.969 10.969 1418 HG SER 54 HG SER 54 12.102 13.463 13.463 1419 H VAL 55 HN VAL 55 14.691 9.891 9.891 1420 HA VAL 55 HA VAL 55 13.649 7.166 7.166 1421 HB VAL 55 HB VAL 55 16.327 7.554 7.554 1422 1HG1 VAL 55 2HG1 VAL 55 14.799 5.362 5.362 1423 2HG1 VAL 55 1HG1 VAL 55 14.750 5.345 5.345 1424 3HG1 VAL 55 3HG1 VAL 55 16.301 5.338 5.338 1425 1HG2 VAL 55 1HG2 VAL 55 14.654 8.832 8.832 1426 2HG2 VAL 55 3HG2 VAL 55 15.406 7.489 7.489 1427 3HG2 VAL 55 2HG2 VAL 55 13.767 7.325 7.325 1428 H ASP 56 HN ASP 56 14.851 5.850 5.850 1429 HA ASP 56 HA ASP 56 17.210 6.764 6.764 1430 1HB ASP 56 2HB ASP 56 15.482 8.261 8.261 1431 2HB ASP 56 1HB ASP 56 14.700 6.825 6.825 1432 HA PRO 57 HA PRO 57 18.877 5.874 5.874 1433 1HB PRO 57 2HB PRO 57 20.242 3.496 3.496 1434 2HB PRO 57 1HB PRO 57 20.565 4.432 4.432 1435 1HG PRO 57 2HG PRO 57 19.543 1.927 1.927 1436 2HG PRO 57 1HG PRO 57 19.157 3.154 3.154 1437 1HD PRO 57 2HD PRO 57 17.542 2.255 2.255 1438 2HD PRO 57 1HD PRO 57 17.012 2.610 2.610 1439 HA PRO 58 HA PRO 58 18.524 6.454 6.454 1440 1HB PRO 58 2HB PRO 58 20.181 8.539 8.539 1441 2HB PRO 58 1HB PRO 58 18.630 8.700 8.700 1442 1HG PRO 58 2HG PRO 58 21.377 8.405 8.405 1443 2HG PRO 58 1HG PRO 58 20.055 9.463 9.463 1444 1HD PRO 58 2HD PRO 58 20.676 7.058 7.058 1445 2HD PRO 58 1HD PRO 58 19.073 7.816 7.816 1446 H CYS 59 HN CYS 59 21.653 6.164 6.164 1447 HA CYS 59 HA CYS 59 22.662 4.674 4.674 1448 1HB CYS 59 2HB CYS 59 24.335 6.754 6.754 1449 2HB CYS 59 1HB CYS 59 24.741 5.857 5.857 1450 HG CYS 59 HG CYS 59 23.991 8.245 8.245 1451 H GLY 60 HN GLY 60 24.436 3.252 3.252 1452 1HA GLY 60 2HA GLY 60 25.513 2.921 2.921 1453 2HA GLY 60 1HA GLY 60 24.099 1.886 1.886 1454 H VAL 61 HN VAL 61 26.721 0.934 0.934 1455 HA VAL 61 HA VAL 61 27.526 -0.140 -0.140 1456 HB VAL 61 HB VAL 61 29.259 0.794 0.794 1457 1HG1 VAL 61 1HG1 VAL 61 27.991 -0.376 -0.376 1458 2HG1 VAL 61 3HG1 VAL 61 29.152 -1.658 -1.658 1459 3HG1 VAL 61 2HG1 VAL 61 29.721 -0.037 -0.037 1460 1HG2 VAL 61 1HG2 VAL 61 29.295 -1.938 -1.938 1461 2HG2 VAL 61 3HG2 VAL 61 30.303 -0.541 -0.541 1462 3HG2 VAL 61 2HG2 VAL 61 30.628 -1.503 -1.503 1463 H LEU 62 HN LEU 62 26.630 -1.974 -1.974 1464 HA LEU 62 HA LEU 62 25.411 -3.790 -3.790 1465 1HB LEU 62 2HB LEU 62 25.238 -3.258 -3.258 1466 2HB LEU 62 1HB LEU 62 25.347 -4.977 -4.977 1467 HG LEU 62 HG LEU 62 23.329 -3.195 -3.195 1468 1HD1 LEU 62 1HD1 LEU 62 23.387 -4.186 -4.186 1469 2HD1 LEU 62 3HD1 LEU 62 21.966 -4.728 -4.728 1470 3HD1 LEU 62 2HD1 LEU 62 22.316 -3.005 -3.005 1471 1HD2 LEU 62 3HD2 LEU 62 23.788 -6.146 -6.146 1472 2HD2 LEU 62 2HD2 LEU 62 23.506 -5.158 -5.158 1473 3HD2 LEU 62 1HD2 LEU 62 22.179 -5.502 -5.502 1474 H ASP 63 HN ASP 63 25.794 -6.173 -6.173 1475 HA ASP 63 HA ASP 63 28.664 -6.707 -6.707 1476 1HB ASP 63 2HB ASP 63 26.887 -7.292 -7.292 1477 2HB ASP 63 1HB ASP 63 27.799 -8.693 -8.693 1478 HA PRO 64 HA PRO 64 27.928 -9.992 -9.992 1479 1HB PRO 64 2HB PRO 64 28.993 -12.208 -12.208 1480 2HB PRO 64 1HB PRO 64 29.901 -11.069 -11.069 1481 1HG PRO 64 2HG PRO 64 29.616 -11.184 -11.184 1482 2HG PRO 64 1HG PRO 64 31.035 -10.766 -10.766 1483 1HD PRO 64 2HD PRO 64 29.588 -8.879 -8.879 1484 2HD PRO 64 1HD PRO 64 30.288 -8.600 -8.600 1485 H LYS 65 HN LYS 65 25.794 -10.413 -10.413 1486 HA LYS 65 HA LYS 65 23.843 -11.575 -11.575 1487 1HB LYS 65 2HB LYS 65 25.613 -13.472 -13.472 1488 2HB LYS 65 1HB LYS 65 24.961 -13.369 -13.369 1489 1HG LYS 65 2HG LYS 65 23.288 -14.678 -14.678 1490 2HG LYS 65 1HG LYS 65 22.763 -13.460 -13.460 1491 1HD LYS 65 2HD LYS 65 23.077 -15.484 -15.484 1492 2HD LYS 65 1HD LYS 65 24.439 -14.435 -14.435 1493 1HE LYS 65 2HE LYS 65 25.465 -15.736 -15.736 1494 2HE LYS 65 1HE LYS 65 24.370 -16.976 -16.976 1495 1HZ LYS 65 3HZ LYS 65 25.434 -16.779 -16.779 1496 2HZ LYS 65 2HZ LYS 65 26.497 -15.612 -15.612 1497 3HZ LYS 65 1HZ LYS 65 26.558 -17.197 -17.197 1498 H GLU 66 HN GLU 66 24.270 -9.272 -9.272 1499 HA GLU 66 HA GLU 66 22.789 -9.910 -9.910 1500 1HB GLU 66 2HB GLU 66 24.976 -8.040 -8.040 1501 2HB GLU 66 1HB GLU 66 23.667 -7.344 -7.344 1502 1HG GLU 66 2HG GLU 66 24.355 -9.928 -9.928 1503 2HG GLU 66 1HG GLU 66 25.794 -8.917 -8.917 1504 H LYS 67 HN LYS 67 21.123 -8.447 -8.447 1505 HA LYS 67 HA LYS 67 19.992 -6.835 -6.835 1506 1HB LYS 67 2HB LYS 67 17.767 -7.614 -7.614 1507 2HB LYS 67 1HB LYS 67 18.799 -9.001 -9.001 1508 1HG LYS 67 2HG LYS 67 18.891 -9.598 -9.598 1509 2HG LYS 67 1HG LYS 67 18.276 -8.030 -8.030 1510 1HD LYS 67 2HD LYS 67 16.137 -8.645 -8.645 1511 2HD LYS 67 1HD LYS 67 16.482 -9.457 -9.457 1512 1HE LYS 67 2HE LYS 67 16.404 -11.435 -11.435 1513 2HE LYS 67 1HE LYS 67 17.674 -10.943 -10.943 1514 1HZ LYS 67 3HZ LYS 67 14.772 -10.423 -10.423 1515 2HZ LYS 67 2HZ LYS 67 15.662 -11.614 -11.614 1516 3HZ LYS 67 1HZ LYS 67 15.997 -9.979 -9.979 1517 H VAL 68 HN VAL 68 19.204 -4.874 -4.874 1518 HA VAL 68 HA VAL 68 19.139 -4.194 -4.194 1519 HB VAL 68 HB VAL 68 19.739 -1.845 -1.845 1520 1HG1 VAL 68 1HG1 VAL 68 21.340 -4.076 -4.076 1521 2HG1 VAL 68 3HG1 VAL 68 22.163 -3.204 -3.204 1522 3HG1 VAL 68 2HG1 VAL 68 21.740 -2.370 -2.370 1523 1HG2 VAL 68 3HG2 VAL 68 19.245 -2.208 -2.208 1524 2HG2 VAL 68 2HG2 VAL 68 20.873 -1.586 -1.586 1525 3HG2 VAL 68 1HG2 VAL 68 20.631 -3.294 -3.294 1526 H LEU 69 HN LEU 69 17.290 -3.363 -3.363 1527 HA LEU 69 HA LEU 69 15.137 -2.859 -2.859 1528 1HB LEU 69 2HB LEU 69 15.230 -4.015 -4.015 1529 2HB LEU 69 1HB LEU 69 14.583 -2.423 -2.423 1530 HG LEU 69 HG LEU 69 13.411 -4.353 -4.353 1531 1HD1 LEU 69 1HD1 LEU 69 13.298 -5.005 -5.005 1532 2HD1 LEU 69 3HD1 LEU 69 12.248 -3.603 -3.603 1533 3HD1 LEU 69 2HD1 LEU 69 11.771 -4.909 -4.909 1534 1HD2 LEU 69 1HD2 LEU 69 12.422 -1.716 -1.716 1535 2HD2 LEU 69 3HD2 LEU 69 12.951 -2.048 -2.048 1536 3HD2 LEU 69 2HD2 LEU 69 11.490 -2.810 -2.810 1537 H MET 70 HN MET 70 14.499 -0.900 -0.900 1538 HA MET 70 HA MET 70 15.250 1.420 1.420 1539 1HB MET 70 2HB MET 70 15.468 2.640 2.640 1540 2HB MET 70 1HB MET 70 16.790 1.606 1.606 1541 1HG MET 70 2HG MET 70 16.381 1.236 1.236 1542 2HG MET 70 1HG MET 70 15.898 -0.200 -0.200 1543 1HE MET 70 2HE MET 70 15.370 1.989 1.989 1544 2HE MET 70 1HE MET 70 14.516 0.592 0.592 1545 3HE MET 70 3HE MET 70 13.652 2.106 2.106 1546 H ALA 71 HN ALA 71 13.929 3.323 3.323 1547 HA ALA 71 HA ALA 71 11.185 2.603 2.603 1548 1HB ALA 71 2HB ALA 71 11.381 3.030 3.030 1549 2HB ALA 71 1HB ALA 71 12.088 4.614 4.614 1550 3HB ALA 71 3HB ALA 71 10.414 4.285 4.285 1551 H VAL 72 HN VAL 72 9.875 4.244 4.244 1552 HA VAL 72 HA VAL 72 11.398 6.406 6.406 1553 HB VAL 72 HB VAL 72 9.182 4.779 4.779 1554 1HG1 VAL 72 2HG1 VAL 72 10.010 7.387 7.387 1555 2HG1 VAL 72 1HG1 VAL 72 10.754 6.390 6.390 1556 3HG1 VAL 72 3HG1 VAL 72 9.006 6.351 6.351 1557 1HG2 VAL 72 1HG2 VAL 72 12.164 4.695 4.695 1558 2HG2 VAL 72 3HG2 VAL 72 11.024 3.366 3.366 1559 3HG2 VAL 72 2HG2 VAL 72 11.129 4.212 4.212 1560 H SER 73 HN SER 73 10.647 7.780 7.780 1561 HA SER 73 HA SER 73 8.034 8.181 8.181 1562 1HB SER 73 2HB SER 73 10.395 10.038 10.038 1563 2HB SER 73 1HB SER 73 8.833 10.605 10.605 1564 HG SER 73 HG SER 73 9.403 9.776 9.776 1565 H CYS 74 HN CYS 74 6.292 9.236 9.236 1566 HA CYS 74 HA CYS 74 6.504 11.028 11.028 1567 1HB CYS 74 2HB CYS 74 5.166 8.338 8.338 1568 2HB CYS 74 1HB CYS 74 4.660 9.677 9.677 1569 HG CYS 74 HG CYS 74 7.578 8.607 8.607 1570 H ASP 75 HN ASP 75 5.741 12.476 12.476 1571 HA ASP 75 HA ASP 75 3.326 12.125 12.125 1572 1HB ASP 75 2HB ASP 75 3.477 14.486 14.486 1573 2HB ASP 75 1HB ASP 75 5.084 13.770 13.770 1574 H THR 76 HN THR 76 1.271 13.039 13.039 1575 HA THR 76 HA THR 76 0.196 12.796 12.796 1576 HB THR 76 HB THR 76 -1.364 12.653 12.653 1577 HG1 THR 76 1HG THR 76 -1.773 15.343 15.343 1578 1HG2 THR 76 3HG2 THR 76 0.125 14.860 14.860 1579 2HG2 THR 76 2HG2 THR 76 -1.624 14.927 14.927 1580 3HG2 THR 76 1HG2 THR 76 -0.722 13.505 13.505 1581 H PHE 77 HN PHE 77 -0.877 14.486 14.486 1582 HA PHE 77 HA PHE 77 -0.066 17.206 17.206 1583 1HB PHE 77 2HB PHE 77 1.395 17.349 17.349 1584 2HB PHE 77 1HB PHE 77 2.059 16.176 16.176 1585 HD1 PHE 77 2HD PHE 77 1.889 13.758 13.758 1586 HD2 PHE 77 1HD PHE 77 0.717 16.715 16.715 1587 HE1 PHE 77 2HE PHE 77 1.971 12.073 12.073 1588 HE2 PHE 77 1HE PHE 77 0.796 15.034 15.034 1589 HZ PHE 77 HZ PHE 77 1.425 12.710 12.710 1590 H ASN 78 HN ASN 78 -0.301 18.071 18.071 1591 HA ASN 78 HA ASN 78 -3.066 17.319 17.319 1592 1HB ASN 78 2HB ASN 78 -1.459 19.815 19.815 1593 2HB ASN 78 1HB ASN 78 -2.985 19.504 19.504 1594 1HD2 ASN 78 2HD2 ASN 78 -3.936 21.534 21.534 1595 2HD2 ASN 78 1HD2 ASN 78 -3.163 21.673 21.673 1596 H ALA 79 HN ALA 79 -3.309 15.939 15.939 1597 HA ALA 79 HA ALA 79 -1.256 15.720 15.720 1598 1HB ALA 79 2HB ALA 79 -2.048 13.676 13.676 1599 2HB ALA 79 1HB ALA 79 -3.684 14.009 14.009 1600 3HB ALA 79 3HB ALA 79 -2.399 13.668 13.668 1601 H ALA 80 HN ALA 80 -3.293 17.951 17.951 1602 HA ALA 80 HA ALA 80 -4.811 17.553 17.553 1603 1HB ALA 80 3HB ALA 80 -5.429 18.812 18.812 1604 2HB ALA 80 2HB ALA 80 -5.112 20.147 20.147 1605 3HB ALA 80 1HB ALA 80 -6.329 18.936 18.936 1606 H THR 81 HN THR 81 -2.160 19.429 19.429 1607 HA THR 81 HA THR 81 -1.526 20.331 20.331 1608 HB THR 81 HB THR 81 -1.125 22.621 22.621 1609 HG1 THR 81 1HG THR 81 -1.249 23.208 23.208 1610 1HG2 THR 81 3HG2 THR 81 -3.475 21.792 21.792 1611 2HG2 THR 81 2HG2 THR 81 -3.854 22.019 22.019 1612 3HG2 THR 81 1HG2 THR 81 -3.296 23.384 23.384 1613 H GLU 82 HN GLU 82 -0.162 18.329 18.329 1614 HA GLU 82 HA GLU 82 2.349 19.506 19.506 1615 1HB GLU 82 2HB GLU 82 0.874 17.084 17.084 1616 2HB GLU 82 1HB GLU 82 2.625 16.954 16.954 1617 1HG GLU 82 2HG GLU 82 1.147 19.080 19.080 1618 2HG GLU 82 1HG GLU 82 1.769 17.586 17.586 1619 H ASP 83 HN ASP 83 4.179 17.713 17.713 1620 HA ASP 83 HA ASP 83 4.081 17.198 17.198 1621 1HB ASP 83 2HB ASP 83 6.619 16.856 16.856 1622 2HB ASP 83 1HB ASP 83 5.974 18.493 18.493 1623 H LEU 84 HN LEU 84 2.814 15.280 15.280 1624 HA LEU 84 HA LEU 84 4.337 12.975 12.975 1625 1HB LEU 84 2HB LEU 84 1.362 12.965 12.965 1626 2HB LEU 84 1HB LEU 84 2.341 11.894 11.894 1627 HG LEU 84 HG LEU 84 1.576 14.746 14.746 1628 1HD1 LEU 84 3HD1 LEU 84 0.465 12.241 12.241 1629 2HD1 LEU 84 2HD1 LEU 84 1.196 12.899 12.899 1630 3HD1 LEU 84 1HD1 LEU 84 -0.008 13.837 13.837 1631 1HD2 LEU 84 3HD2 LEU 84 3.923 13.247 13.247 1632 2HD2 LEU 84 2HD2 LEU 84 3.553 14.963 14.963 1633 3HD2 LEU 84 1HD2 LEU 84 2.944 13.809 13.809 1634 H ASN 85 HN ASN 85 5.309 13.270 13.270 1635 HA ASN 85 HA ASN 85 3.656 12.338 12.338 1636 1HB ASN 85 2HB ASN 85 6.091 13.810 13.810 1637 2HB ASN 85 1HB ASN 85 6.406 12.383 12.383 1638 1HD2 ASN 85 2HD2 ASN 85 5.045 13.794 13.794 1639 2HD2 ASN 85 1HD2 ASN 85 6.149 12.693 12.693 1640 H ASN 86 HN ASN 86 6.005 11.070 11.070 1641 HA ASN 86 HA ASN 86 5.336 8.404 8.404 1642 1HB ASN 86 2HB ASN 86 7.290 9.479 9.479 1643 2HB ASN 86 1HB ASN 86 7.918 8.099 8.099 1644 1HD2 ASN 86 2HD2 ASN 86 5.383 7.563 7.563 1645 2HD2 ASN 86 1HD2 ASN 86 6.132 9.071 9.071 1646 H ASP 87 HN ASP 87 8.178 10.435 10.435 1647 HA ASP 87 HA ASP 87 9.574 10.533 10.533 1648 1HB ASP 87 2HB ASP 87 7.075 9.775 9.775 1649 2HB ASP 87 1HB ASP 87 8.284 8.738 8.738 1650 H ARG 88 HN ARG 88 11.324 9.322 9.322 1651 HA ARG 88 HA ARG 88 11.306 6.447 6.447 1652 1HB ARG 88 2HB ARG 88 12.842 8.248 8.248 1653 2HB ARG 88 1HB ARG 88 13.485 6.665 6.665 1654 1HG ARG 88 2HG ARG 88 11.411 5.633 5.633 1655 2HG ARG 88 1HG ARG 88 10.840 7.232 7.232 1656 1HD ARG 88 2HD ARG 88 13.393 5.963 5.963 1657 2HD ARG 88 1HD ARG 88 11.861 5.919 5.919 1658 HE ARG 88 HE ARG 88 13.696 8.097 8.097 1659 1HH1 ARG 88 1HH2 ARG 88 10.317 7.294 7.294 1660 2HH1 ARG 88 2HH2 ARG 88 9.896 8.766 8.766 1661 1HH2 ARG 88 1HH1 ARG 88 13.152 10.042 10.042 1662 2HH2 ARG 88 2HH1 ARG 88 11.508 10.328 10.328 1663 H ILE 89 HN ILE 89 12.590 5.486 5.486 1664 HA ILE 89 HA ILE 89 14.418 7.161 7.161 1665 HB ILE 89 HB ILE 89 13.245 4.439 4.439 1666 1HG1 ILE 89 2HG1 ILE 89 12.745 6.997 6.997 1667 2HG1 ILE 89 1HG1 ILE 89 11.784 6.572 6.572 1668 1HG2 ILE 89 3HG2 ILE 89 15.105 6.188 6.188 1669 2HG2 ILE 89 2HG2 ILE 89 14.218 4.819 4.819 1670 3HG2 ILE 89 1HG2 ILE 89 15.412 4.559 4.559 1671 1HD1 ILE 89 3HD1 ILE 89 11.567 4.292 4.292 1672 2HD1 ILE 89 2HD1 ILE 89 11.784 5.425 5.425 1673 3HD1 ILE 89 1HD1 ILE 89 10.461 5.652 5.652 1674 H THR 90 HN THR 90 16.353 7.152 7.152 1675 HA THR 90 HA THR 90 17.356 4.769 4.769 1676 HB THR 90 HB THR 90 18.773 7.402 7.402 1677 HG1 THR 90 1HG THR 90 17.664 8.187 8.187 1678 1HG2 THR 90 2HG2 THR 90 20.174 5.477 5.477 1679 2HG2 THR 90 1HG2 THR 90 19.176 5.390 5.390 1680 3HG2 THR 90 3HG2 THR 90 20.127 6.838 6.838 1681 H ILE 91 HN ILE 91 18.937 3.453 3.453 1682 HA ILE 91 HA ILE 91 20.143 3.970 3.970 1683 HB ILE 91 HB ILE 91 19.435 1.258 1.258 1684 1HG1 ILE 91 2HG1 ILE 91 18.015 3.013 3.013 1685 2HG1 ILE 91 1HG1 ILE 91 17.378 2.380 2.380 1686 1HG2 ILE 91 2HG2 ILE 91 21.310 1.898 1.898 1687 2HG2 ILE 91 1HG2 ILE 91 19.890 1.572 1.572 1688 3HG2 ILE 91 3HG2 ILE 91 20.485 0.343 0.343 1689 1HD1 ILE 91 1HD1 ILE 91 17.883 0.073 0.073 1690 2HD1 ILE 91 3HD1 ILE 91 17.745 1.040 1.040 1691 3HD1 ILE 91 2HD1 ILE 91 16.398 0.965 0.965 1692 H GLU 92 HN GLU 92 22.277 4.106 4.106 1693 HA GLU 92 HA GLU 92 23.708 2.806 2.806 1694 1HB GLU 92 2HB GLU 92 24.467 5.371 5.371 1695 2HB GLU 92 1HB GLU 92 25.333 4.625 4.625 1696 1HG GLU 92 2HG GLU 92 23.735 5.217 5.217 1697 2HG GLU 92 1HG GLU 92 22.466 5.371 5.371 1698 H TRP 93 HN TRP 93 24.800 1.115 1.115 1699 HA TRP 93 HA TRP 93 26.278 1.398 1.398 1700 1HB TRP 93 2HB TRP 93 25.785 -0.839 -0.839 1701 2HB TRP 93 1HB TRP 93 24.253 -0.104 -0.104 1702 HD1 TRP 93 1HD TRP 93 26.435 -3.041 -3.041 1703 HE1 TRP 93 1HE TRP 93 25.415 -4.439 -4.439 1704 HE3 TRP 93 3HE TRP 93 22.868 0.254 0.254 1705 HZ2 TRP 93 2HZ TRP 93 23.371 -4.179 -4.179 1706 HZ3 TRP 93 3HZ TRP 93 21.422 -0.399 -0.399 1707 HH2 TRP 93 2HH TRP 93 21.671 -2.569 -2.569 1708 H THR 94 HN THR 94 28.393 1.006 1.006 1709 HA THR 94 HA THR 94 29.377 -0.507 -0.507 1710 HB THR 94 HB THR 94 29.871 1.728 1.728 1711 HG1 THR 94 1HG THR 94 32.117 1.775 1.775 1712 1HG2 THR 94 2HG2 THR 94 30.768 2.105 2.105 1713 2HG2 THR 94 1HG2 THR 94 31.108 3.247 3.247 1714 3HG2 THR 94 3HG2 THR 94 29.440 2.913 2.913 1715 H ASN 95 HN ASN 95 31.272 -1.708 -1.708 1716 HA ASN 95 HA ASN 95 31.592 -3.037 -3.037 1717 1HB ASN 95 2HB ASN 95 33.703 -2.609 -2.609 1718 2HB ASN 95 1HB ASN 95 33.711 -3.878 -3.878 1719 1HD2 ASN 95 2HD2 ASN 95 32.220 -4.837 -4.837 1720 2HD2 ASN 95 1HD2 ASN 95 33.533 -3.776 -3.776 1721 H THR 96 HN THR 96 33.086 -2.937 -2.937 1722 HA THR 96 HA THR 96 33.975 -0.260 -0.260 1723 HB THR 96 HB THR 96 34.767 -1.499 -1.499 1724 HG1 THR 96 1HG THR 96 34.513 -3.594 -3.594 1725 1HG2 THR 96 2HG2 THR 96 32.346 -0.360 -0.360 1726 2HG2 THR 96 1HG2 THR 96 31.910 -1.932 -1.932 1727 3HG2 THR 96 3HG2 THR 96 32.891 -0.811 -0.811 1728 HA PRO 97 HA PRO 97 38.125 -0.669 -0.669 1729 1HB PRO 97 2HB PRO 97 38.792 0.964 0.964 1730 2HB PRO 97 1HB PRO 97 39.212 1.233 1.233 1731 1HG PRO 97 2HG PRO 97 37.308 2.679 2.679 1732 2HG PRO 97 1HG PRO 97 37.134 2.131 2.131 1733 1HD PRO 97 2HD PRO 97 35.836 1.091 1.091 1734 2HD PRO 97 1HD PRO 97 35.180 1.236 1.236 1735 H ASP 98 HN ASP 98 40.196 -1.525 -1.525 1736 HA ASP 98 HA ASP 98 40.084 -3.835 -3.835 1737 1HB ASP 98 2HB ASP 98 42.577 -3.710 -3.710 1738 2HB ASP 98 1HB ASP 98 41.910 -3.455 -3.455 1739 H GLY 99 HN GLY 99 39.967 -4.272 -4.272 1740 1HA GLY 99 2HA GLY 99 39.873 -3.936 -3.936 1741 2HA GLY 99 1HA GLY 99 41.402 -3.096 -3.096 1742 H ALA 100 HN ALA 100 38.209 -2.199 -2.199 1743 HA ALA 100 HA ALA 100 38.500 0.507 0.507 1744 1HB ALA 100 2HB ALA 100 36.603 -1.083 -1.083 1745 2HB ALA 100 1HB ALA 100 35.764 0.010 0.010 1746 3HB ALA 100 3HB ALA 100 36.902 0.654 0.654 1747 H ALA 101 HN ALA 101 37.621 1.681 1.681 1748 HA ALA 101 HA ALA 101 37.419 0.538 0.538 1749 1HB ALA 101 3HB ALA 101 36.485 3.153 3.153 1750 2HB ALA 101 2HB ALA 101 36.152 2.711 2.711 1751 3HB ALA 101 1HB ALA 101 37.819 2.824 2.824 1752 H LYS 102 HN LYS 102 35.536 0.582 0.582 1753 HA LYS 102 HA LYS 102 33.305 -0.778 -0.778 1754 1HB LYS 102 2HB LYS 102 32.567 -1.144 -1.144 1755 2HB LYS 102 1HB LYS 102 34.093 -1.888 -1.888 1756 1HG LYS 102 2HG LYS 102 35.283 -0.635 -0.635 1757 2HG LYS 102 1HG LYS 102 34.321 0.813 0.813 1758 1HD LYS 102 2HD LYS 102 32.477 -0.536 -0.536 1759 2HD LYS 102 1HD LYS 102 33.876 -1.391 -1.391 1760 1HE LYS 102 2HE LYS 102 34.835 0.856 0.856 1761 2HE LYS 102 1HE LYS 102 33.276 1.555 1.555 1762 1HZ LYS 102 2HZ LYS 102 33.204 -0.679 -0.679 1763 2HZ LYS 102 1HZ LYS 102 33.879 0.754 0.754 1764 3HZ LYS 102 3HZ LYS 102 32.299 0.751 0.751 1765 H GLN 103 HN GLN 103 32.777 1.309 1.309 1766 HA GLN 103 HA GLN 103 30.433 2.384 2.384 1767 1HB GLN 103 2HB GLN 103 32.629 3.492 3.492 1768 2HB GLN 103 1HB GLN 103 32.238 4.677 4.677 1769 1HG GLN 103 2HG GLN 103 29.978 3.639 3.639 1770 2HG GLN 103 1HG GLN 103 31.135 4.664 4.664 1771 1HE2 GLN 103 2HE2 GLN 103 28.339 6.615 6.615 1772 2HE2 GLN 103 1HE2 GLN 103 28.349 5.173 5.173 1773 H PHE 104 HN PHE 104 29.313 3.442 3.442 1774 HA PHE 104 HA PHE 104 30.114 3.307 3.307 1775 1HB PHE 104 2HB PHE 104 27.773 3.491 3.491 1776 2HB PHE 104 1HB PHE 104 28.043 5.108 5.108 1777 HD1 PHE 104 2HD PHE 104 28.706 6.942 6.942 1778 HD2 PHE 104 1HD PHE 104 27.272 3.154 3.154 1779 HE1 PHE 104 2HE PHE 104 28.176 7.905 7.905 1780 HE2 PHE 104 1HE PHE 104 26.740 4.110 4.110 1781 HZ PHE 104 HZ PHE 104 27.192 6.489 6.489 1782 H ARG 105 HN ARG 105 30.873 4.801 4.801 1783 HA ARG 105 HA ARG 105 31.871 7.347 7.347 1784 1HB ARG 105 2HB ARG 105 33.392 5.287 5.287 1785 2HB ARG 105 1HB ARG 105 33.891 6.972 6.972 1786 1HG ARG 105 2HG ARG 105 33.466 5.424 5.424 1787 2HG ARG 105 1HG ARG 105 34.987 5.334 5.334 1788 1HD ARG 105 2HD ARG 105 34.477 8.042 8.042 1789 2HD ARG 105 1HD ARG 105 33.937 7.451 7.451 1790 HE ARG 105 HE ARG 105 36.377 6.293 6.293 1791 1HH1 ARG 105 1HH2 ARG 105 35.193 9.566 9.566 1792 2HH1 ARG 105 2HH2 ARG 105 36.681 10.255 10.255 1793 1HH2 ARG 105 1HH1 ARG 105 38.341 7.189 7.189 1794 2HH2 ARG 105 2HH1 ARG 105 38.472 8.904 8.904 1795 H ARG 106 HN ARG 106 32.070 9.048 9.048 1796 HA ARG 106 HA ARG 106 30.226 8.817 8.817 1797 1HB ARG 106 2HB ARG 106 30.366 10.765 10.765 1798 2HB ARG 106 1HB ARG 106 31.727 11.311 11.311 1799 1HG ARG 106 2HG ARG 106 29.998 11.015 11.015 1800 2HG ARG 106 1HG ARG 106 28.835 11.233 11.233 1801 1HD ARG 106 2HD ARG 106 29.129 13.427 13.427 1802 2HD ARG 106 1HD ARG 106 30.738 13.204 13.204 1803 HE ARG 106 HE ARG 106 30.590 12.744 12.744 1804 1HH1 ARG 106 1HH2 ARG 106 31.054 15.107 15.107 1805 2HH1 ARG 106 2HH2 ARG 106 31.921 16.210 16.210 1806 1HH2 ARG 106 1HH1 ARG 106 31.733 14.188 14.188 1807 2HH2 ARG 106 2HH1 ARG 106 32.306 15.687 15.687 1808 H GLU 107 HN GLU 107 33.632 8.990 8.990 1809 HA GLU 107 HA GLU 107 34.339 9.801 9.801 1810 1HB GLU 107 2HB GLU 107 35.690 9.389 9.389 1811 2HB GLU 107 1HB GLU 107 36.542 8.526 8.526 1812 1HG GLU 107 2HG GLU 107 36.646 10.592 10.592 1813 2HG GLU 107 1HG GLU 107 35.829 11.450 11.450 1814 H TRP 108 HN TRP 108 33.392 6.853 6.853 1815 HA TRP 108 HA TRP 108 34.897 4.961 4.961 1816 1HB TRP 108 2HB TRP 108 32.099 4.984 4.984 1817 2HB TRP 108 1HB TRP 108 32.665 3.600 3.600 1818 HD1 TRP 108 1HD TRP 108 35.689 4.476 4.476 1819 HE1 TRP 108 1HE TRP 108 36.026 3.263 3.263 1820 HE3 TRP 108 3HE TRP 108 30.886 2.926 2.926 1821 HZ2 TRP 108 2HZ TRP 108 34.461 1.838 1.838 1822 HZ3 TRP 108 3HZ TRP 108 30.390 1.643 1.643 1823 HH2 TRP 108 2HH TRP 108 32.143 1.110 1.110 1824 H PHE 109 HN PHE 109 32.559 7.161 7.161 1825 HA PHE 109 HA PHE 109 32.179 5.605 5.605 1826 1HB PHE 109 2HB PHE 109 30.938 8.197 8.197 1827 2HB PHE 109 1HB PHE 109 30.575 7.422 7.422 1828 HD1 PHE 109 1HD PHE 109 30.415 6.960 6.960 1829 HD2 PHE 109 2HD PHE 109 28.990 5.707 5.707 1830 HE1 PHE 109 1HE PHE 109 28.678 5.608 5.608 1831 HE2 PHE 109 2HE PHE 109 27.250 4.353 4.353 1832 HZ PHE 109 HZ PHE 109 27.092 4.302 4.302 1833 H GLN 110 HN GLN 110 34.795 6.540 6.540 1834 HA GLN 110 HA GLN 110 35.195 8.047 8.047 1835 1HB GLN 110 2HB GLN 110 35.869 9.194 9.194 1836 2HB GLN 110 1HB GLN 110 36.701 9.709 9.709 1837 1HG GLN 110 2HG GLN 110 34.546 10.383 10.383 1838 2HG GLN 110 1HG GLN 110 33.747 9.915 9.915 1839 1HE2 GLN 110 2HE2 GLN 110 36.232 13.176 13.176 1840 2HE2 GLN 110 1HE2 GLN 110 36.583 11.827 11.827 1841 H GLY 111 HN GLY 111 35.852 5.407 5.407 1842 1HA GLY 111 2HA GLY 111 38.775 5.570 5.570 1843 2HA GLY 111 1HA GLY 111 38.086 4.574 4.574 1844 H ASP 112 HN ASP 112 39.107 2.737 2.737 1845 HA ASP 112 HA ASP 112 38.416 1.896 1.896 1846 1HB ASP 112 2HB ASP 112 40.267 1.034 1.034 1847 2HB ASP 112 1HB ASP 112 39.539 -0.301 -0.301 1848 H GLY 113 HN GLY 113 37.319 -0.086 -0.086 1849 1HA GLY 113 2HA GLY 113 36.016 -1.987 -1.987 1850 2HA GLY 113 1HA GLY 113 35.410 -0.920 -0.920 1851 H MET 114 HN MET 114 33.269 -1.483 -1.483 1852 HA MET 114 HA MET 114 32.361 0.124 0.124 1853 1HB MET 114 2HB MET 114 32.023 -2.803 -2.803 1854 2HB MET 114 1HB MET 114 30.633 -1.913 -1.913 1855 1HG MET 114 2HG MET 114 31.531 -1.668 -1.668 1856 2HG MET 114 1HG MET 114 33.105 -1.221 -1.221 1857 1HE MET 114 1HE MET 114 33.108 -2.294 -2.294 1858 2HE MET 114 3HE MET 114 34.476 -3.389 -3.389 1859 3HE MET 114 2HE MET 114 32.913 -4.015 -4.015 1860 H VAL 115 HN VAL 115 30.285 0.976 0.976 1861 HA VAL 115 HA VAL 115 29.019 0.603 0.603 1862 HB VAL 115 HB VAL 115 29.039 3.171 3.171 1863 1HG1 VAL 115 3HG1 VAL 115 27.111 2.719 2.719 1864 2HG1 VAL 115 2HG1 VAL 115 28.273 2.724 2.724 1865 3HG1 VAL 115 1HG1 VAL 115 28.038 4.178 4.178 1866 1HG2 VAL 115 3HG2 VAL 115 31.034 2.038 2.038 1867 2HG2 VAL 115 2HG2 VAL 115 31.116 3.475 3.475 1868 3HG2 VAL 115 1HG2 VAL 115 30.433 3.582 3.582 1869 H ARG 116 HN ARG 116 26.920 0.069 0.069 1870 HA ARG 116 HA ARG 116 25.521 0.076 0.076 1871 1HB ARG 116 2HB ARG 116 25.482 -1.688 -1.688 1872 2HB ARG 116 1HB ARG 116 23.921 -1.397 -1.397 1873 1HG ARG 116 2HG ARG 116 25.283 -1.973 -1.973 1874 2HG ARG 116 1HG ARG 116 26.291 -2.843 -2.843 1875 1HD ARG 116 2HD ARG 116 24.536 -4.243 -4.243 1876 2HD ARG 116 1HD ARG 116 23.311 -3.169 -3.169 1877 HE ARG 116 HE ARG 116 25.048 -4.183 -4.183 1878 1HH1 ARG 116 1HH2 ARG 116 22.319 -4.999 -4.999 1879 2HH1 ARG 116 2HH2 ARG 116 21.690 -6.172 -6.172 1880 1HH2 ARG 116 1HH1 ARG 116 24.230 -5.724 -5.724 1881 2HH2 ARG 116 2HH1 ARG 116 22.778 -6.585 -6.585 1882 H ARG 117 HN ARG 117 23.628 1.152 1.152 1883 HA ARG 117 HA ARG 117 22.475 2.539 2.539 1884 1HB ARG 117 2HB ARG 117 22.033 4.473 4.473 1885 2HB ARG 117 1HB ARG 117 23.680 4.266 4.266 1886 1HG ARG 117 2HG ARG 117 24.450 3.521 3.521 1887 2HG ARG 117 1HG ARG 117 22.846 3.021 3.021 1888 1HD ARG 117 2HD ARG 117 23.718 5.068 5.068 1889 2HD ARG 117 1HD ARG 117 22.169 5.290 5.290 1890 HE ARG 117 HE ARG 117 24.340 5.992 5.992 1891 1HH1 ARG 117 1HH2 ARG 117 22.438 7.119 7.119 1892 2HH1 ARG 117 2HH2 ARG 117 22.706 8.795 8.795 1893 1HH2 ARG 117 1HH1 ARG 117 24.700 8.197 8.197 1894 2HH2 ARG 117 2HH1 ARG 117 23.994 9.408 9.408 1895 H LYS 118 HN LYS 118 20.615 1.455 1.455 1896 HA LYS 118 HA LYS 118 18.965 0.875 0.875 1897 1HB LYS 118 2HB LYS 118 19.520 -0.700 -0.700 1898 2HB LYS 118 1HB LYS 118 18.097 0.106 0.106 1899 1HG LYS 118 2HG LYS 118 16.720 -1.075 -1.075 1900 2HG LYS 118 1HG LYS 118 17.717 -0.830 -0.830 1901 1HD LYS 118 2HD LYS 118 17.867 -3.115 -3.115 1902 2HD LYS 118 1HD LYS 118 19.297 -2.561 -2.561 1903 1HE LYS 118 2HE LYS 118 18.333 -4.092 -4.092 1904 2HE LYS 118 1HE LYS 118 17.759 -2.537 -2.537 1905 1HZ LYS 118 2HZ LYS 118 16.196 -4.267 -4.267 1906 2HZ LYS 118 1HZ LYS 118 16.027 -4.292 -4.292 1907 3HZ LYS 118 3HZ LYS 118 15.656 -2.887 -2.887 1908 H ASN 119 HN ASN 119 16.564 1.146 1.146 1909 HA ASN 119 HA ASN 119 15.933 3.544 3.544 1910 1HB ASN 119 2HB ASN 119 15.357 3.266 3.266 1911 2HB ASN 119 1HB ASN 119 14.742 4.554 4.554 1912 1HD2 ASN 119 2HD2 ASN 119 18.680 4.495 4.495 1913 2HD2 ASN 119 1HD2 ASN 119 17.737 3.048 3.048 1914 H LEU 120 HN LEU 120 14.151 3.214 3.214 1915 HA LEU 120 HA LEU 120 12.325 1.070 1.070 1916 1HB LEU 120 2HB LEU 120 12.950 2.413 2.413 1917 2HB LEU 120 1HB LEU 120 11.413 1.592 1.592 1918 HG LEU 120 HG LEU 120 12.916 -0.415 -0.415 1919 1HD1 LEU 120 3HD1 LEU 120 14.827 1.466 1.466 1920 2HD1 LEU 120 2HD1 LEU 120 14.989 -0.250 -0.250 1921 3HD1 LEU 120 1HD1 LEU 120 15.074 0.297 0.297 1922 1HD2 LEU 120 3HD2 LEU 120 12.480 0.506 0.506 1923 2HD2 LEU 120 2HD2 LEU 120 11.511 -0.627 -0.627 1924 3HD2 LEU 120 1HD2 LEU 120 13.126 -1.086 -1.086 1925 HA PRO 121 HA PRO 121 9.738 4.487 4.487 1926 1HB PRO 121 2HB PRO 121 7.942 2.216 2.216 1927 2HB PRO 121 1HB PRO 121 8.536 3.506 3.506 1928 1HG PRO 121 2HG PRO 121 9.477 1.017 1.017 1929 2HG PRO 121 1HG PRO 121 10.537 2.423 2.423 1930 1HD PRO 121 2HD PRO 121 10.252 0.601 0.601 1931 2HD PRO 121 1HD PRO 121 11.716 1.328 1.328 1932 H ILE 122 HN ILE 122 8.143 5.592 5.592 1933 HA ILE 122 HA ILE 122 6.680 4.251 4.251 1934 HB ILE 122 HB ILE 122 6.947 7.231 7.231 1935 1HG1 ILE 122 2HG1 ILE 122 9.235 6.212 6.212 1936 2HG1 ILE 122 1HG1 ILE 122 8.970 7.203 7.203 1937 1HG2 ILE 122 3HG2 ILE 122 6.198 5.239 5.239 1938 2HG2 ILE 122 2HG2 ILE 122 6.954 6.746 6.746 1939 3HG2 ILE 122 1HG2 ILE 122 5.454 6.786 6.786 1940 1HD1 ILE 122 1HD1 ILE 122 8.336 4.913 4.913 1941 2HD1 ILE 122 3HD1 ILE 122 9.298 4.260 4.260 1942 3HD1 ILE 122 2HD1 ILE 122 10.023 5.393 5.393 1943 H GLU 123 HN GLU 123 4.446 4.732 4.732 1944 HA GLU 123 HA GLU 123 3.140 6.172 6.172 1945 1HB GLU 123 2HB GLU 123 2.728 3.280 3.280 1946 2HB GLU 123 1HB GLU 123 1.425 4.223 4.223 1947 1HG GLU 123 2HG GLU 123 2.796 4.706 4.706 1948 2HG GLU 123 1HG GLU 123 4.150 3.838 3.838 1949 H TYR 124 HN TYR 124 1.260 7.182 7.182 1950 HA TYR 124 HA TYR 124 0.549 7.105 7.105 1951 1HB TYR 124 2HB TYR 124 -0.112 9.166 9.166 1952 2HB TYR 124 1HB TYR 124 -0.538 9.278 9.278 1953 HD1 TYR 124 1HD TYR 124 2.392 9.032 9.032 1954 HD2 TYR 124 2HD TYR 124 0.933 10.269 10.269 1955 HE1 TYR 124 1HE TYR 124 4.542 10.133 10.133 1956 HE2 TYR 124 2HE TYR 124 3.078 11.373 11.373 1957 HH TYR 124 HH TYR 124 5.862 10.866 10.866 1958 H ASN 125 HN ASN 125 -0.870 5.420 5.420 1959 HA ASN 125 HA ASN 125 -2.983 4.991 4.991 1960 1HB ASN 125 2HB ASN 125 -1.797 3.540 3.540 1961 2HB ASN 125 1HB ASN 125 -3.519 3.677 3.677 1962 1HD2 ASN 125 2HD2 ASN 125 -3.924 0.823 0.823 1963 2HD2 ASN 125 1HD2 ASN 125 -3.995 1.552 1.552 1964 H LEU 126 HN LEU 126 -4.297 6.774 6.774 1965 HA LEU 126 HA LEU 126 -5.443 7.856 7.856 1966 1HB LEU 126 2HB LEU 126 -5.667 8.656 8.656 1967 2HB LEU 126 1HB LEU 126 -6.579 9.436 9.436 1968 HG LEU 126 HG LEU 126 -3.577 9.298 9.298 1969 1HD1 LEU 126 2HD1 LEU 126 -5.327 11.029 11.029 1970 2HD1 LEU 126 1HD1 LEU 126 -3.974 11.798 11.798 1971 3HD1 LEU 126 3HD1 LEU 126 -3.680 10.471 10.471 1972 1HD2 LEU 126 2HD2 LEU 126 -5.645 11.074 11.074 1973 2HD2 LEU 126 1HD2 LEU 126 -4.617 9.883 9.883 1974 3HD2 LEU 126 3HD2 LEU 126 -3.904 11.337 11.337 Start of MODEL 14 1 1H ALA 1 3HN ALA 1 -37.321 9.835 9.835 2 2H ALA 1 2HN ALA 1 -35.742 9.165 9.165 3 3H ALA 1 1HN ALA 1 -37.111 8.134 8.134 4 HA ALA 1 HA ALA 1 -36.095 8.202 8.202 5 1HB ALA 1 2HB ALA 1 -35.405 10.791 10.791 6 2HB ALA 1 1HB ALA 1 -36.523 10.992 10.992 7 3HB ALA 1 3HB ALA 1 -35.076 10.001 10.001 8 H GLN 2 HN GLN 2 -37.913 7.099 7.099 9 HA GLN 2 HA GLN 2 -40.516 8.199 8.199 10 1HB GLN 2 2HB GLN 2 -39.479 5.681 5.681 11 2HB GLN 2 1HB GLN 2 -39.972 5.995 5.995 12 1HG GLN 2 2HG GLN 2 -41.745 6.202 6.202 13 2HG GLN 2 1HG GLN 2 -41.714 4.863 4.863 14 1HE2 GLN 2 2HE2 GLN 2 -43.947 8.094 8.094 15 2HE2 GLN 2 1HE2 GLN 2 -43.122 7.793 7.793 16 H SER 3 HN SER 3 -37.937 7.998 7.998 17 HA SER 3 HA SER 3 -39.354 9.919 9.919 18 1HB SER 3 2HB SER 3 -40.104 8.087 8.087 19 2HB SER 3 1HB SER 3 -38.671 7.128 7.128 20 HG SER 3 HG SER 3 -39.161 8.707 8.707 21 H VAL 4 HN VAL 4 -36.591 7.828 7.828 22 HA VAL 4 HA VAL 4 -34.702 9.965 9.965 23 HB VAL 4 HB VAL 4 -33.762 9.850 9.850 24 1HG1 VAL 4 3HG1 VAL 4 -35.349 11.638 11.638 25 2HG1 VAL 4 2HG1 VAL 4 -36.585 10.864 10.864 26 3HG1 VAL 4 1HG1 VAL 4 -35.143 11.544 11.544 27 1HG2 VAL 4 2HG2 VAL 4 -35.972 7.967 7.967 28 2HG2 VAL 4 1HG2 VAL 4 -34.518 8.167 8.167 29 3HG2 VAL 4 3HG2 VAL 4 -35.925 9.192 9.192 30 HA PRO 5 HA PRO 5 -32.698 6.004 6.004 31 1HB PRO 5 2HB PRO 5 -30.594 7.103 7.103 32 2HB PRO 5 1HB PRO 5 -32.174 6.828 6.828 33 1HG PRO 5 2HG PRO 5 -31.029 9.347 9.347 34 2HG PRO 5 1HG PRO 5 -31.954 9.115 9.115 35 1HD PRO 5 2HD PRO 5 -33.087 10.077 10.077 36 2HD PRO 5 1HD PRO 5 -33.978 9.047 9.047 37 HA PRO 6 HA PRO 6 -29.506 5.621 5.621 38 1HB PRO 6 2HB PRO 6 -27.617 4.493 4.493 39 2HB PRO 6 1HB PRO 6 -28.334 3.742 3.742 40 1HG PRO 6 2HG PRO 6 -29.065 3.041 3.041 41 2HG PRO 6 1HG PRO 6 -30.218 3.061 3.061 42 1HD PRO 6 2HD PRO 6 -29.839 5.049 5.049 43 2HD PRO 6 1HD PRO 6 -31.342 4.461 4.461 44 H GLY 7 HN GLY 7 -28.014 6.946 6.946 45 1HA GLY 7 2HA GLY 7 -27.012 9.144 9.144 46 2HA GLY 7 1HA GLY 7 -26.565 8.728 8.728 47 H ASP 8 HN ASP 8 -25.306 9.244 9.244 48 HA ASP 8 HA ASP 8 -23.620 7.157 7.157 49 1HB ASP 8 2HB ASP 8 -23.014 10.116 10.116 50 2HB ASP 8 1HB ASP 8 -22.116 8.851 8.851 51 H ILE 9 HN ILE 9 -22.416 6.051 6.051 52 HA ILE 9 HA ILE 9 -21.247 7.277 7.277 53 HB ILE 9 HB ILE 9 -20.349 5.075 5.075 54 1HG1 ILE 9 2HG1 ILE 9 -21.641 3.823 3.823 55 2HG1 ILE 9 1HG1 ILE 9 -20.114 4.656 4.656 56 1HG2 ILE 9 2HG2 ILE 9 -23.117 5.678 5.678 57 2HG2 ILE 9 1HG2 ILE 9 -22.835 3.954 3.954 58 3HG2 ILE 9 3HG2 ILE 9 -22.362 4.720 4.720 59 1HD1 ILE 9 3HD1 ILE 9 -20.299 2.714 2.714 60 2HD1 ILE 9 2HD1 ILE 9 -20.184 2.110 2.110 61 3HD1 ILE 9 1HD1 ILE 9 -18.919 3.155 3.155 62 H ASN 10 HN ASN 10 -19.076 7.595 7.595 63 HA ASN 10 HA ASN 10 -17.374 7.908 7.908 64 1HB ASN 10 2HB ASN 10 -17.739 9.364 9.364 65 2HB ASN 10 1HB ASN 10 -16.066 8.814 8.814 66 1HD2 ASN 10 2HD2 ASN 10 -17.302 11.892 11.892 67 2HD2 ASN 10 1HD2 ASN 10 -18.268 11.126 11.126 68 H THR 11 HN THR 11 -15.311 7.004 7.004 69 HA THR 11 HA THR 11 -14.574 5.010 5.010 70 HB THR 11 HB THR 11 -13.825 3.693 3.693 71 HG1 THR 11 1HG THR 11 -15.366 3.904 3.904 72 1HG2 THR 11 2HG2 THR 11 -15.280 2.894 2.894 73 2HG2 THR 11 1HG2 THR 11 -16.653 3.444 3.444 74 3HG2 THR 11 3HG2 THR 11 -15.583 2.190 2.190 75 H GLN 12 HN GLN 12 -12.349 4.376 4.376 76 HA GLN 12 HA GLN 12 -10.510 5.863 5.863 77 1HB GLN 12 2HB GLN 12 -10.163 6.139 6.139 78 2HB GLN 12 1HB GLN 12 -9.422 7.080 7.080 79 1HG GLN 12 2HG GLN 12 -11.657 8.034 8.034 80 2HG GLN 12 1HG GLN 12 -12.288 7.188 7.188 81 1HE2 GLN 12 2HE2 GLN 12 -11.165 9.527 9.527 82 2HE2 GLN 12 1HE2 GLN 12 -12.003 8.049 8.049 83 HA PRO 13 HA PRO 13 -8.940 5.192 5.192 84 1HB PRO 13 2HB PRO 13 -8.897 2.995 2.995 85 2HB PRO 13 1HB PRO 13 -7.462 3.700 3.700 86 1HG PRO 13 2HG PRO 13 -9.088 1.340 1.340 87 2HG PRO 13 1HG PRO 13 -7.325 1.538 1.538 88 1HD PRO 13 2HD PRO 13 -8.728 1.764 1.764 89 2HD PRO 13 1HD PRO 13 -7.315 2.792 2.792 90 H SER 14 HN SER 14 -10.298 5.403 5.403 91 HA SER 14 HA SER 14 -12.997 4.304 4.304 92 1HB SER 14 2HB SER 14 -12.938 6.677 6.677 93 2HB SER 14 1HB SER 14 -13.852 6.368 6.368 94 HG SER 14 HG SER 14 -12.535 7.853 7.853 95 H GLN 15 HN GLN 15 -10.347 4.295 4.295 96 HA GLN 15 HA GLN 15 -12.039 3.573 3.573 97 1HB GLN 15 2HB GLN 15 -9.557 5.056 5.056 98 2HB GLN 15 1HB GLN 15 -9.413 3.740 3.740 99 1HG GLN 15 2HG GLN 15 -10.756 4.733 4.733 100 2HG GLN 15 1HG GLN 15 -11.850 5.351 5.351 101 1HE2 GLN 15 2HE2 GLN 15 -10.624 8.553 8.553 102 2HE2 GLN 15 1HE2 GLN 15 -11.917 7.467 7.467 103 H LYS 16 HN LYS 16 -8.944 2.637 2.637 104 HA LYS 16 HA LYS 16 -9.666 -0.158 -0.158 105 1HB LYS 16 2HB LYS 16 -7.050 0.504 0.504 106 2HB LYS 16 1HB LYS 16 -8.105 -0.877 -0.877 107 1HG LYS 16 2HG LYS 16 -9.603 0.445 0.445 108 2HG LYS 16 1HG LYS 16 -8.707 1.916 1.916 109 1HD LYS 16 2HD LYS 16 -6.692 0.630 0.630 110 2HD LYS 16 1HD LYS 16 -7.946 -0.362 -0.362 111 1HE LYS 16 2HE LYS 16 -8.972 1.851 1.851 112 2HE LYS 16 1HE LYS 16 -7.424 2.576 2.576 113 1HZ LYS 16 2HZ LYS 16 -6.898 0.307 0.307 114 2HZ LYS 16 1HZ LYS 16 -8.102 1.180 1.180 115 3HZ LYS 16 3HZ LYS 16 -6.635 1.926 1.926 116 H ILE 17 HN ILE 17 -7.426 -1.436 -1.436 117 HA ILE 17 HA ILE 17 -5.904 -0.058 -0.058 118 HB ILE 17 HB ILE 17 -7.849 -0.867 -0.867 119 1HG1 ILE 17 2HG1 ILE 17 -5.325 -2.453 -2.453 120 2HG1 ILE 17 1HG1 ILE 17 -5.678 -0.834 -0.834 121 1HG2 ILE 17 2HG2 ILE 17 -7.898 -2.941 -2.941 122 2HG2 ILE 17 1HG2 ILE 17 -7.182 -3.711 -3.711 123 3HG2 ILE 17 3HG2 ILE 17 -8.752 -2.917 -2.917 124 1HD1 ILE 17 1HD1 ILE 17 -7.804 -2.539 -2.539 125 2HD1 ILE 17 3HD1 ILE 17 -6.279 -3.324 -3.324 126 3HD1 ILE 17 2HD1 ILE 17 -6.625 -1.703 -1.703 127 H VAL 18 HN VAL 18 -3.865 -0.859 -0.859 128 HA VAL 18 HA VAL 18 -3.289 -3.406 -3.406 129 HB VAL 18 HB VAL 18 -2.525 -1.585 -1.585 130 1HG1 VAL 18 1HG1 VAL 18 -2.269 0.010 0.010 131 2HG1 VAL 18 3HG1 VAL 18 -0.669 -0.701 -0.701 132 3HG1 VAL 18 2HG1 VAL 18 -1.071 0.124 0.124 133 1HG2 VAL 18 1HG2 VAL 18 -1.136 -3.739 -3.739 134 2HG2 VAL 18 3HG2 VAL 18 -0.424 -2.426 -2.426 135 3HG2 VAL 18 2HG2 VAL 18 -0.011 -2.617 -2.617 136 H PHE 19 HN PHE 19 -2.786 -4.803 -4.803 137 HA PHE 19 HA PHE 19 -1.678 -4.105 -4.105 138 1HB PHE 19 2HB PHE 19 -1.741 -6.783 -6.783 139 2HB PHE 19 1HB PHE 19 -1.338 -6.544 -6.544 140 HD1 PHE 19 2HD PHE 19 -3.238 -4.900 -4.900 141 HD2 PHE 19 1HD PHE 19 -3.822 -7.665 -7.665 142 HE1 PHE 19 2HE PHE 19 -5.620 -5.071 -5.071 143 HE2 PHE 19 1HE PHE 19 -6.206 -7.842 -7.842 144 HZ PHE 19 HZ PHE 19 -7.107 -6.544 -6.544 145 H ASN 20 HN ASN 20 0.337 -3.507 -3.507 146 HA ASN 20 HA ASN 20 2.426 -3.859 -3.859 147 1HB ASN 20 2HB ASN 20 2.241 -2.395 -2.395 148 2HB ASN 20 1HB ASN 20 3.782 -2.595 -2.595 149 1HD2 ASN 20 2HD2 ASN 20 0.994 0.020 0.020 150 2HD2 ASN 20 1HD2 ASN 20 0.645 -1.109 -1.109 151 H ALA 21 HN ALA 21 4.115 -5.208 -5.208 152 HA ALA 21 HA ALA 21 4.094 -7.558 -7.558 153 1HB ALA 21 1HB ALA 21 5.883 -6.219 -6.219 154 2HB ALA 21 3HB ALA 21 6.793 -7.028 -7.028 155 3HB ALA 21 2HB ALA 21 5.662 -7.946 -7.946 156 HA PRO 22 HA PRO 22 6.358 -8.768 -8.768 157 1HB PRO 22 2HB PRO 22 7.053 -10.368 -10.368 158 2HB PRO 22 1HB PRO 22 8.134 -9.092 -9.092 159 1HG PRO 22 2HG PRO 22 6.325 -9.111 -9.111 160 2HG PRO 22 1HG PRO 22 7.990 -8.519 -8.519 161 1HD PRO 22 2HD PRO 22 5.770 -6.905 -6.905 162 2HD PRO 22 1HD PRO 22 7.327 -6.500 -6.500 163 H TYR 23 HN TYR 23 5.473 -10.928 -10.928 164 HA TYR 23 HA TYR 23 2.802 -11.071 -11.071 165 1HB TYR 23 2HB TYR 23 3.813 -12.389 -12.389 166 2HB TYR 23 1HB TYR 23 2.179 -12.524 -12.524 167 HD1 TYR 23 2HD TYR 23 1.976 -9.596 -9.596 168 HD2 TYR 23 1HD TYR 23 3.216 -11.411 -11.411 169 HE1 TYR 23 2HE TYR 23 1.324 -7.570 -7.570 170 HE2 TYR 23 1HE TYR 23 2.568 -9.385 -9.385 171 HH TYR 23 HH TYR 23 2.249 -6.571 -6.571 172 H ASP 24 HN ASP 24 4.815 -11.825 -11.825 173 HA ASP 24 HA ASP 24 4.534 -14.752 -14.752 174 1HB ASP 24 2HB ASP 24 6.971 -13.104 -13.104 175 2HB ASP 24 1HB ASP 24 6.879 -14.329 -14.329 176 H ASP 25 HN ASP 25 3.538 -12.033 -12.033 177 HA ASP 25 HA ASP 25 3.363 -13.341 -13.341 178 1HB ASP 25 2HB ASP 25 4.757 -10.844 -10.844 179 2HB ASP 25 1HB ASP 25 3.532 -10.656 -10.656 180 H LYS 26 HN LYS 26 1.356 -13.334 -13.334 181 HA LYS 26 HA LYS 26 -0.860 -12.545 -12.545 182 1HB LYS 26 2HB LYS 26 -0.756 -12.615 -12.615 183 2HB LYS 26 1HB LYS 26 -2.149 -12.912 -12.912 184 1HG LYS 26 2HG LYS 26 -1.663 -15.067 -15.067 185 2HG LYS 26 1HG LYS 26 -0.016 -14.715 -14.715 186 1HD LYS 26 2HD LYS 26 0.366 -14.186 -14.186 187 2HD LYS 26 1HD LYS 26 -1.071 -15.186 -15.186 188 1HE LYS 26 2HE LYS 26 1.506 -15.985 -15.985 189 2HE LYS 26 1HE LYS 26 0.901 -16.560 -16.560 190 1HZ LYS 26 2HZ LYS 26 -1.120 -17.089 -17.089 191 2HZ LYS 26 1HZ LYS 26 0.280 -17.469 -17.469 192 3HZ LYS 26 3HZ LYS 26 -0.017 -18.211 -18.211 193 H HIS 27 HN HIS 27 -1.203 -10.559 -10.559 194 HA HIS 27 HA HIS 27 -0.789 -8.268 -8.268 195 1HB HIS 27 2HB HIS 27 -0.702 -8.606 -8.606 196 2HB HIS 27 1HB HIS 27 -1.137 -7.032 -7.032 197 HD1 HIS 27 1HD HIS 27 1.243 -8.560 -8.560 198 HD2 HIS 27 2HD HIS 27 1.444 -6.483 -6.483 199 HE1 HIS 27 1HE HIS 27 3.627 -7.739 -7.739 200 H THR 28 HN THR 28 -2.396 -6.660 -6.660 201 HA THR 28 HA THR 28 -5.053 -7.361 -7.361 202 HB THR 28 HB THR 28 -5.125 -6.248 -6.248 203 HG1 THR 28 1HG THR 28 -3.702 -7.537 -7.537 204 1HG2 THR 28 1HG2 THR 28 -6.720 -7.910 -7.910 205 2HG2 THR 28 3HG2 THR 28 -6.299 -8.823 -8.823 206 3HG2 THR 28 2HG2 THR 28 -7.088 -7.252 -7.252 207 H TYR 29 HN TYR 29 -5.193 -5.680 -5.680 208 HA TYR 29 HA TYR 29 -4.537 -2.986 -2.986 209 1HB TYR 29 2HB TYR 29 -5.599 -4.045 -4.045 210 2HB TYR 29 1HB TYR 29 -5.166 -2.365 -2.365 211 HD1 TYR 29 1HD TYR 29 -3.733 -5.804 -5.804 212 HD2 TYR 29 2HD TYR 29 -2.991 -1.643 -1.643 213 HE1 TYR 29 1HE TYR 29 -1.409 -6.298 -6.298 214 HE2 TYR 29 2HE TYR 29 -0.664 -2.124 -2.124 215 HH TYR 29 HH TYR 29 0.956 -4.527 -4.527 216 H HIS 30 HN HIS 30 -5.957 -1.603 -1.603 217 HA HIS 30 HA HIS 30 -8.773 -2.360 -2.360 218 1HB HIS 30 2HB HIS 30 -7.218 -0.284 -0.284 219 2HB HIS 30 1HB HIS 30 -8.954 -0.529 -0.529 220 HD1 HIS 30 1HD HIS 30 -5.996 -2.959 -2.959 221 HD2 HIS 30 2HD HIS 30 -9.387 -1.910 -1.910 222 HE1 HIS 30 1HE HIS 30 -6.086 -4.524 -4.524 223 H ILE 31 HN ILE 31 -10.323 -1.338 -1.338 224 HA ILE 31 HA ILE 31 -9.569 0.960 0.960 225 HB ILE 31 HB ILE 31 -12.068 -0.733 -0.733 226 1HG1 ILE 31 2HG1 ILE 31 -9.788 -0.818 -0.818 227 2HG1 ILE 31 1HG1 ILE 31 -9.763 -1.817 -1.817 228 1HG2 ILE 31 2HG2 ILE 31 -10.935 1.315 1.315 229 2HG2 ILE 31 1HG2 ILE 31 -12.344 0.301 0.301 230 3HG2 ILE 31 3HG2 ILE 31 -12.383 1.493 1.493 231 1HD1 ILE 31 3HD1 ILE 31 -12.242 -1.966 -1.966 232 2HD1 ILE 31 2HD1 ILE 31 -10.802 -2.575 -2.575 233 3HD1 ILE 31 1HD1 ILE 31 -11.281 -3.245 -3.245 234 H LYS 32 HN LYS 32 -10.860 2.847 2.847 235 HA LYS 32 HA LYS 32 -12.358 3.325 3.325 236 1HB LYS 32 2HB LYS 32 -10.774 5.092 5.092 237 2HB LYS 32 1HB LYS 32 -12.033 5.791 5.791 238 1HG LYS 32 2HG LYS 32 -10.916 4.812 4.812 239 2HG LYS 32 1HG LYS 32 -9.611 4.263 4.263 240 1HD LYS 32 2HD LYS 32 -9.208 6.604 6.604 241 2HD LYS 32 1HD LYS 32 -10.466 7.123 7.123 242 1HE LYS 32 2HE LYS 32 -8.572 7.423 7.423 243 2HE LYS 32 1HE LYS 32 -9.052 5.793 5.793 244 1HZ LYS 32 3HZ LYS 32 -7.443 5.454 5.454 245 2HZ LYS 32 2HZ LYS 32 -6.673 6.663 6.663 246 3HZ LYS 32 1HZ LYS 32 -7.018 5.170 5.170 247 H ILE 33 HN ILE 33 -14.452 3.884 3.884 248 HA ILE 33 HA ILE 33 -15.724 4.604 4.604 249 HB ILE 33 HB ILE 33 -16.905 2.586 2.586 250 1HG1 ILE 33 2HG1 ILE 33 -15.923 1.976 1.976 251 2HG1 ILE 33 1HG1 ILE 33 -14.835 1.887 1.887 252 1HG2 ILE 33 3HG2 ILE 33 -17.796 3.723 3.723 253 2HG2 ILE 33 2HG2 ILE 33 -18.441 2.214 2.214 254 3HG2 ILE 33 1HG2 ILE 33 -18.653 3.720 3.720 255 1HD1 ILE 33 3HD1 ILE 33 -17.415 0.456 0.456 256 2HD1 ILE 33 2HD1 ILE 33 -16.194 -0.205 -0.205 257 3HD1 ILE 33 1HD1 ILE 33 -15.820 0.025 0.025 258 H THR 34 HN THR 34 -17.736 5.733 5.733 259 HA THR 34 HA THR 34 -18.553 6.571 6.571 260 HB THR 34 HB THR 34 -17.385 8.526 8.526 261 HG1 THR 34 1HG THR 34 -15.719 8.165 8.165 262 1HG2 THR 34 2HG2 THR 34 -18.904 9.081 9.081 263 2HG2 THR 34 1HG2 THR 34 -17.895 10.259 10.259 264 3HG2 THR 34 3HG2 THR 34 -19.322 9.595 9.595 265 H ASN 35 HN ASN 35 -20.506 7.837 7.837 266 HA ASN 35 HA ASN 35 -22.131 7.319 7.319 267 1HB ASN 35 2HB ASN 35 -22.921 6.176 6.176 268 2HB ASN 35 1HB ASN 35 -22.992 7.714 7.714 269 1HD2 ASN 35 2HD2 ASN 35 -25.761 6.928 6.928 270 2HD2 ASN 35 1HD2 ASN 35 -24.175 6.250 6.250 271 H ALA 36 HN ALA 36 -22.430 9.051 9.051 272 HA ALA 36 HA ALA 36 -22.271 11.717 11.717 273 1HB ALA 36 2HB ALA 36 -21.088 10.988 10.988 274 2HB ALA 36 1HB ALA 36 -22.675 11.096 11.096 275 3HB ALA 36 3HB ALA 36 -21.952 12.526 12.526 276 H GLY 37 HN GLY 37 -24.630 9.784 9.784 277 1HA GLY 37 2HA GLY 37 -26.694 11.577 11.577 278 2HA GLY 37 1HA GLY 37 -26.926 9.857 9.857 279 H GLY 38 HN GLY 38 -28.871 11.089 11.089 280 1HA GLY 38 2HA GLY 38 -28.167 11.699 11.699 281 2HA GLY 38 1HA GLY 38 -29.592 12.309 12.309 282 H ARG 39 HN ARG 39 -28.761 9.023 9.023 283 HA ARG 39 HA ARG 39 -30.547 8.053 8.053 284 1HB ARG 39 2HB ARG 39 -30.985 7.648 7.648 285 2HB ARG 39 1HB ARG 39 -31.711 6.609 6.609 286 1HG ARG 39 2HG ARG 39 -33.306 8.090 8.090 287 2HG ARG 39 1HG ARG 39 -32.158 9.428 9.428 288 1HD ARG 39 2HD ARG 39 -32.618 8.407 8.407 289 2HD ARG 39 1HD ARG 39 -34.058 9.075 9.075 290 HE ARG 39 HE ARG 39 -31.823 10.529 10.529 291 1HH1 ARG 39 1HH2 ARG 39 -34.239 10.512 10.512 292 2HH1 ARG 39 2HH2 ARG 39 -34.209 12.229 12.229 293 1HH2 ARG 39 1HH1 ARG 39 -31.776 12.791 12.791 294 2HH2 ARG 39 2HH1 ARG 39 -32.809 13.525 13.525 295 H ARG 40 HN ARG 40 -30.494 5.672 5.672 296 HA ARG 40 HA ARG 40 -27.835 4.714 4.714 297 1HB ARG 40 2HB ARG 40 -30.497 3.636 3.636 298 2HB ARG 40 1HB ARG 40 -29.259 2.449 2.449 299 1HG ARG 40 2HG ARG 40 -27.980 2.987 2.987 300 2HG ARG 40 1HG ARG 40 -28.591 4.641 4.641 301 1HD ARG 40 2HD ARG 40 -30.246 2.208 2.208 302 2HD ARG 40 1HD ARG 40 -29.362 3.139 3.139 303 HE ARG 40 HE ARG 40 -31.159 4.699 4.699 304 1HH1 ARG 40 1HH2 ARG 40 -30.803 2.789 2.789 305 2HH1 ARG 40 2HH2 ARG 40 -32.139 3.533 3.533 306 1HH2 ARG 40 1HH1 ARG 40 -32.921 5.688 5.688 307 2HH2 ARG 40 2HH1 ARG 40 -33.342 5.182 5.182 308 H ILE 41 HN ILE 41 -27.160 2.645 2.645 309 HA ILE 41 HA ILE 41 -28.463 2.048 2.048 310 HB ILE 41 HB ILE 41 -26.160 2.186 2.186 311 1HG1 ILE 41 2HG1 ILE 41 -25.653 4.319 4.319 312 2HG1 ILE 41 1HG1 ILE 41 -25.067 2.674 2.674 313 1HG2 ILE 41 2HG2 ILE 41 -28.059 3.613 3.613 314 2HG2 ILE 41 1HG2 ILE 41 -27.617 4.721 4.721 315 3HG2 ILE 41 3HG2 ILE 41 -26.541 4.506 4.506 316 1HD1 ILE 41 2HD1 ILE 41 -24.432 4.287 4.287 317 2HD1 ILE 41 1HD1 ILE 41 -23.440 4.320 4.320 318 3HD1 ILE 41 3HD1 ILE 41 -23.655 2.811 2.811 319 H GLY 42 HN GLY 42 -28.079 -0.003 -0.003 320 1HA GLY 42 2HA GLY 42 -26.529 -1.732 -1.732 321 2HA GLY 42 1HA GLY 42 -27.823 -2.268 -2.268 322 H TRP 43 HN TRP 43 -24.458 -1.726 -1.726 323 HA TRP 43 HA TRP 43 -24.022 -2.238 -2.238 324 1HB TRP 43 2HB TRP 43 -21.717 -1.458 -1.458 325 2HB TRP 43 1HB TRP 43 -22.909 -0.247 -0.247 326 HD1 TRP 43 1HD TRP 43 -23.217 0.233 0.233 327 HE1 TRP 43 1HE TRP 43 -21.628 -0.152 -0.152 328 HE3 TRP 43 3HE TRP 43 -19.928 -3.002 -3.002 329 HZ2 TRP 43 2HZ TRP 43 -19.289 -1.630 -1.630 330 HZ3 TRP 43 3HZ TRP 43 -18.042 -3.855 -3.855 331 HH2 TRP 43 2HH TRP 43 -17.730 -3.181 -3.181 332 H ALA 44 HN ALA 44 -22.588 -3.832 -3.832 333 HA ALA 44 HA ALA 44 -21.555 -5.733 -5.733 334 1HB ALA 44 2HB ALA 44 -23.978 -6.301 -6.301 335 2HB ALA 44 1HB ALA 44 -23.060 -6.923 -6.923 336 3HB ALA 44 3HB ALA 44 -22.766 -7.558 -7.558 337 H ILE 45 HN ILE 45 -19.624 -6.526 -6.526 338 HA ILE 45 HA ILE 45 -18.592 -5.734 -5.734 339 HB ILE 45 HB ILE 45 -17.012 -7.104 -7.104 340 1HG1 ILE 45 2HG1 ILE 45 -18.204 -5.139 -5.139 341 2HG1 ILE 45 1HG1 ILE 45 -16.455 -4.941 -4.941 342 1HG2 ILE 45 2HG2 ILE 45 -16.444 -5.709 -5.709 343 2HG2 ILE 45 1HG2 ILE 45 -15.374 -5.307 -5.307 344 3HG2 ILE 45 3HG2 ILE 45 -15.545 -6.983 -6.983 345 1HD1 ILE 45 3HD1 ILE 45 -18.045 -3.876 -3.876 346 2HD1 ILE 45 2HD1 ILE 45 -18.040 -3.003 -3.003 347 3HD1 ILE 45 1HD1 ILE 45 -16.524 -3.302 -3.302 348 H LYS 46 HN LYS 46 -17.540 -7.181 -7.181 349 HA LYS 46 HA LYS 46 -17.988 -10.040 -10.040 350 1HB LYS 46 2HB LYS 46 -18.785 -8.580 -8.580 351 2HB LYS 46 1HB LYS 46 -18.847 -10.322 -10.322 352 1HG LYS 46 2HG LYS 46 -20.295 -9.282 -9.282 353 2HG LYS 46 1HG LYS 46 -20.758 -8.294 -8.294 354 1HD LYS 46 2HD LYS 46 -20.802 -11.310 -11.310 355 2HD LYS 46 1HD LYS 46 -22.211 -10.261 -10.261 356 1HE LYS 46 2HE LYS 46 -21.399 -9.290 -9.290 357 2HE LYS 46 1HE LYS 46 -20.552 -10.832 -10.832 358 1HZ LYS 46 2HZ LYS 46 -23.054 -11.545 -11.545 359 2HZ LYS 46 1HZ LYS 46 -23.348 -10.255 -10.255 360 3HZ LYS 46 3HZ LYS 46 -22.463 -11.596 -11.596 361 H THR 47 HN THR 47 -16.409 -11.349 -11.349 362 HA THR 47 HA THR 47 -14.288 -10.088 -10.088 363 HB THR 47 HB THR 47 -12.615 -11.301 -11.301 364 HG1 THR 47 1HG THR 47 -13.332 -12.569 -12.569 365 1HG2 THR 47 1HG2 THR 47 -14.563 -9.759 -9.759 366 2HG2 THR 47 3HG2 THR 47 -13.230 -10.595 -10.595 367 3HG2 THR 47 2HG2 THR 47 -12.897 -9.377 -9.377 368 H THR 48 HN THR 48 -13.214 -11.405 -11.405 369 HA THR 48 HA THR 48 -14.766 -13.235 -13.235 370 HB THR 48 HB THR 48 -12.487 -13.919 -13.919 371 HG1 THR 48 1HG THR 48 -11.588 -11.617 -11.617 372 1HG2 THR 48 2HG2 THR 48 -14.021 -11.527 -11.527 373 2HG2 THR 48 1HG2 THR 48 -12.308 -11.187 -11.187 374 3HG2 THR 48 3HG2 THR 48 -13.108 -12.439 -12.439 375 H ASN 49 HN ASN 49 -12.296 -13.765 -13.765 376 HA ASN 49 HA ASN 49 -13.174 -16.570 -16.570 377 1HB ASN 49 2HB ASN 49 -10.344 -15.561 -15.561 378 2HB ASN 49 1HB ASN 49 -10.876 -17.229 -17.229 379 1HD2 ASN 49 2HD2 ASN 49 -9.406 -16.490 -16.490 380 2HD2 ASN 49 1HD2 ASN 49 -8.901 -16.059 -16.059 381 H MET 50 HN MET 50 -14.102 -16.951 -16.951 382 HA MET 50 HA MET 50 -13.593 -15.184 -15.184 383 1HB MET 50 2HB MET 50 -15.739 -17.009 -17.009 384 2HB MET 50 1HB MET 50 -15.391 -17.046 -17.046 385 1HG MET 50 2HG MET 50 -15.601 -14.363 -14.363 386 2HG MET 50 1HG MET 50 -17.085 -15.313 -15.313 387 1HE MET 50 3HE MET 50 -15.483 -12.765 -12.765 388 2HE MET 50 2HE MET 50 -17.059 -12.508 -12.508 389 3HE MET 50 1HE MET 50 -15.630 -12.736 -12.736 390 H ARG 51 HN ARG 51 -11.737 -17.440 -17.440 391 HA ARG 51 HA ARG 51 -11.455 -18.868 -18.868 392 1HB ARG 51 2HB ARG 51 -10.036 -20.466 -20.466 393 2HB ARG 51 1HB ARG 51 -11.765 -20.476 -20.476 394 1HG ARG 51 2HG ARG 51 -11.508 -19.303 -19.303 395 2HG ARG 51 1HG ARG 51 -9.842 -18.862 -18.862 396 1HD ARG 51 2HD ARG 51 -9.178 -20.657 -20.657 397 2HD ARG 51 1HD ARG 51 -9.923 -21.653 -21.653 398 HE ARG 51 HE ARG 51 -11.745 -20.749 -20.749 399 1HH1 ARG 51 1HH2 ARG 51 -9.496 -23.225 -23.225 400 2HH1 ARG 51 2HH2 ARG 51 -10.200 -24.443 -24.443 401 1HH2 ARG 51 1HH1 ARG 51 -12.680 -22.345 -22.345 402 2HH2 ARG 51 2HH1 ARG 51 -12.011 -23.942 -23.942 403 H ARG 52 HN ARG 52 -9.848 -16.889 -16.889 404 HA ARG 52 HA ARG 52 -7.363 -16.955 -16.955 405 1HB ARG 52 2HB ARG 52 -8.027 -16.490 -16.490 406 2HB ARG 52 1HB ARG 52 -6.815 -15.395 -15.395 407 1HG ARG 52 2HG ARG 52 -5.247 -16.971 -16.971 408 2HG ARG 52 1HG ARG 52 -6.319 -18.154 -18.154 409 1HD ARG 52 2HD ARG 52 -7.260 -17.796 -17.796 410 2HD ARG 52 1HD ARG 52 -5.505 -17.920 -17.920 411 HE ARG 52 HE ARG 52 -7.309 -20.027 -20.027 412 1HH1 ARG 52 1HH2 ARG 52 -4.163 -18.815 -18.815 413 2HH1 ARG 52 2HH2 ARG 52 -3.533 -20.374 -20.374 414 1HH2 ARG 52 1HH1 ARG 52 -6.490 -22.086 -22.086 415 2HH2 ARG 52 2HH1 ARG 52 -4.857 -22.234 -22.234 416 H LEU 53 HN LEU 53 -10.066 -14.958 -14.958 417 HA LEU 53 HA LEU 53 -8.824 -12.744 -12.744 418 1HB LEU 53 2HB LEU 53 -10.716 -12.499 -12.499 419 2HB LEU 53 1HB LEU 53 -10.085 -11.163 -11.163 420 HG LEU 53 HG LEU 53 -8.293 -13.036 -13.036 421 1HD1 LEU 53 2HD1 LEU 53 -10.130 -11.612 -11.612 422 2HD1 LEU 53 1HD1 LEU 53 -8.922 -10.347 -10.347 423 3HD1 LEU 53 3HD1 LEU 53 -8.495 -11.835 -11.835 424 1HD2 LEU 53 1HD2 LEU 53 -7.842 -10.953 -10.953 425 2HD2 LEU 53 3HD2 LEU 53 -6.655 -11.848 -11.848 426 3HD2 LEU 53 2HD2 LEU 53 -7.351 -10.359 -10.359 427 H SER 54 HN SER 54 -10.041 -11.789 -11.789 428 HA SER 54 HA SER 54 -12.886 -12.352 -12.352 429 1HB SER 54 2HB SER 54 -10.872 -13.304 -13.304 430 2HB SER 54 1HB SER 54 -12.576 -13.074 -13.074 431 HG SER 54 HG SER 54 -13.122 -14.692 -14.692 432 H VAL 55 HN VAL 55 -13.793 -10.448 -10.448 433 HA VAL 55 HA VAL 55 -12.281 -8.358 -8.358 434 HB VAL 55 HB VAL 55 -15.019 -7.971 -7.971 435 1HG1 VAL 55 3HG1 VAL 55 -13.960 -6.195 -6.195 436 2HG1 VAL 55 2HG1 VAL 55 -12.646 -6.123 -6.123 437 3HG1 VAL 55 1HG1 VAL 55 -14.287 -5.700 -5.700 438 1HG2 VAL 55 2HG2 VAL 55 -12.491 -8.479 -8.479 439 2HG2 VAL 55 1HG2 VAL 55 -14.160 -8.783 -8.783 440 3HG2 VAL 55 3HG2 VAL 55 -13.497 -7.152 -7.152 441 H ASP 56 HN ASP 56 -13.198 -7.132 -7.132 442 HA ASP 56 HA ASP 56 -15.520 -8.266 -8.266 443 1HB ASP 56 2HB ASP 56 -12.728 -8.315 -8.315 444 2HB ASP 56 1HB ASP 56 -14.050 -8.049 -8.049 445 HA PRO 57 HA PRO 57 -17.098 -7.750 -7.750 446 1HB PRO 57 2HB PRO 57 -19.329 -6.269 -6.269 447 2HB PRO 57 1HB PRO 57 -18.353 -6.316 -6.316 448 1HG PRO 57 2HG PRO 57 -18.428 -4.242 -4.242 449 2HG PRO 57 1HG PRO 57 -18.385 -4.024 -4.024 450 1HD PRO 57 2HD PRO 57 -16.180 -3.823 -3.823 451 2HD PRO 57 1HD PRO 57 -16.113 -4.299 -4.299 452 HA PRO 58 HA PRO 58 -17.805 -8.397 -8.397 453 1HB PRO 58 2HB PRO 58 -19.741 -10.307 -10.307 454 2HB PRO 58 1HB PRO 58 -18.028 -10.632 -10.632 455 1HG PRO 58 2HG PRO 58 -20.226 -10.151 -10.151 456 2HG PRO 58 1HG PRO 58 -18.922 -11.350 -11.350 457 1HD PRO 58 2HD PRO 58 -18.828 -9.061 -9.061 458 2HD PRO 58 1HD PRO 58 -17.370 -9.818 -9.818 459 H CYS 59 HN CYS 59 -20.191 -7.240 -7.240 460 HA CYS 59 HA CYS 59 -21.479 -5.666 -5.666 461 1HB CYS 59 2HB CYS 59 -23.767 -6.831 -6.831 462 2HB CYS 59 1HB CYS 59 -22.600 -7.536 -7.536 463 HG CYS 59 HG CYS 59 -23.891 -9.134 -9.134 464 H GLY 60 HN GLY 60 -22.389 -3.981 -3.981 465 1HA GLY 60 2HA GLY 60 -23.528 -4.349 -4.349 466 2HA GLY 60 1HA GLY 60 -22.138 -3.282 -3.282 467 H VAL 61 HN VAL 61 -24.101 -1.996 -1.996 468 HA VAL 61 HA VAL 61 -25.478 -0.643 -0.643 469 HB VAL 61 HB VAL 61 -26.976 -1.776 -1.776 470 1HG1 VAL 61 2HG1 VAL 61 -25.302 -0.925 -0.925 471 2HG1 VAL 61 1HG1 VAL 61 -26.530 0.338 0.338 472 3HG1 VAL 61 3HG1 VAL 61 -26.985 -1.354 -1.354 473 1HG2 VAL 61 1HG2 VAL 61 -27.475 0.382 0.382 474 2HG2 VAL 61 3HG2 VAL 61 -28.577 -0.102 -0.102 475 3HG2 VAL 61 2HG2 VAL 61 -27.397 1.177 1.177 476 H LEU 62 HN LEU 62 -24.498 1.194 1.194 477 HA LEU 62 HA LEU 62 -22.902 2.643 2.643 478 1HB LEU 62 2HB LEU 62 -23.184 2.529 2.529 479 2HB LEU 62 1HB LEU 62 -23.281 4.197 4.197 480 HG LEU 62 HG LEU 62 -21.067 2.637 2.637 481 1HD1 LEU 62 3HD1 LEU 62 -21.518 2.316 2.316 482 2HD1 LEU 62 2HD1 LEU 62 -20.310 3.598 3.598 483 3HD1 LEU 62 1HD1 LEU 62 -20.002 2.039 2.039 484 1HD2 LEU 62 3HD2 LEU 62 -21.651 5.167 5.167 485 2HD2 LEU 62 2HD2 LEU 62 -19.969 4.666 4.666 486 3HD2 LEU 62 1HD2 LEU 62 -20.873 5.255 5.255 487 H ASP 63 HN ASP 63 -23.282 4.692 4.692 488 HA ASP 63 HA ASP 63 -26.097 5.519 5.519 489 1HB ASP 63 2HB ASP 63 -23.957 5.540 5.540 490 2HB ASP 63 1HB ASP 63 -24.875 7.040 7.040 491 HA PRO 64 HA PRO 64 -25.570 9.392 9.392 492 1HB PRO 64 2HB PRO 64 -26.110 10.901 10.901 493 2HB PRO 64 1HB PRO 64 -26.933 10.978 10.978 494 1HG PRO 64 2HG PRO 64 -28.073 9.768 9.768 495 2HG PRO 64 1HG PRO 64 -28.233 9.110 9.110 496 1HD PRO 64 2HD PRO 64 -26.488 8.197 8.197 497 2HD PRO 64 1HD PRO 64 -27.372 7.236 7.236 498 H LYS 65 HN LYS 65 -23.739 10.339 10.339 499 HA LYS 65 HA LYS 65 -21.572 11.047 11.047 500 1HB LYS 65 2HB LYS 65 -21.182 12.992 12.992 501 2HB LYS 65 1HB LYS 65 -22.879 13.011 13.011 502 1HG LYS 65 2HG LYS 65 -22.213 11.778 11.778 503 2HG LYS 65 1HG LYS 65 -22.039 13.526 13.526 504 1HD LYS 65 2HD LYS 65 -24.513 12.557 12.557 505 2HD LYS 65 1HD LYS 65 -24.375 12.155 12.155 506 1HE LYS 65 2HE LYS 65 -23.583 14.896 14.896 507 2HE LYS 65 1HE LYS 65 -25.285 14.528 14.528 508 1HZ LYS 65 1HZ LYS 65 -23.851 14.075 14.075 509 2HZ LYS 65 3HZ LYS 65 -24.863 15.392 15.392 510 3HZ LYS 65 2HZ LYS 65 -25.500 13.826 13.826 511 H GLU 66 HN GLU 66 -21.963 8.536 8.536 512 HA GLU 66 HA GLU 66 -20.049 8.683 8.683 513 1HB GLU 66 2HB GLU 66 -21.675 7.381 7.381 514 2HB GLU 66 1HB GLU 66 -22.324 6.943 6.943 515 1HG GLU 66 2HG GLU 66 -21.611 4.950 4.950 516 2HG GLU 66 1HG GLU 66 -20.425 5.322 5.322 517 H LYS 67 HN LYS 67 -18.064 7.749 7.749 518 HA LYS 67 HA LYS 67 -17.318 6.596 6.596 519 1HB LYS 67 2HB LYS 67 -15.508 7.850 7.850 520 2HB LYS 67 1HB LYS 67 -15.052 7.331 7.331 521 1HG LYS 67 2HG LYS 67 -15.379 9.455 9.455 522 2HG LYS 67 1HG LYS 67 -17.100 9.073 9.073 523 1HD LYS 67 2HD LYS 67 -17.278 9.931 9.931 524 2HD LYS 67 1HD LYS 67 -15.524 10.035 10.035 525 1HE LYS 67 2HE LYS 67 -16.024 12.224 12.224 526 2HE LYS 67 1HE LYS 67 -15.741 11.625 11.625 527 1HZ LYS 67 3HZ LYS 67 -18.145 11.322 11.322 528 2HZ LYS 67 2HZ LYS 67 -18.386 11.967 11.967 529 3HZ LYS 67 1HZ LYS 67 -17.746 12.936 12.936 530 H VAL 68 HN VAL 68 -17.163 4.461 4.461 531 HA VAL 68 HA VAL 68 -16.367 3.097 3.097 532 HB VAL 68 HB VAL 68 -17.229 1.041 1.041 533 1HG1 VAL 68 2HG1 VAL 68 -18.825 3.385 3.385 534 2HG1 VAL 68 1HG1 VAL 68 -19.687 2.205 2.205 535 3HG1 VAL 68 3HG1 VAL 68 -18.960 1.713 1.713 536 1HG2 VAL 68 2HG2 VAL 68 -16.948 2.406 2.406 537 2HG2 VAL 68 1HG2 VAL 68 -17.864 0.913 0.913 538 3HG2 VAL 68 3HG2 VAL 68 -18.691 2.469 2.469 539 H LEU 69 HN LEU 69 -14.851 1.348 1.348 540 HA LEU 69 HA LEU 69 -13.021 1.483 1.483 541 1HB LEU 69 2HB LEU 69 -12.295 2.626 2.626 542 2HB LEU 69 1HB LEU 69 -12.032 0.985 0.985 543 HG LEU 69 HG LEU 69 -10.575 0.744 0.744 544 1HD1 LEU 69 3HD1 LEU 69 -11.453 3.176 3.176 545 2HD1 LEU 69 2HD1 LEU 69 -10.038 3.637 3.637 546 3HD1 LEU 69 1HD1 LEU 69 -9.853 2.603 2.603 547 1HD2 LEU 69 3HD2 LEU 69 -9.707 2.396 2.396 548 2HD2 LEU 69 2HD2 LEU 69 -9.694 0.637 0.637 549 3HD2 LEU 69 1HD2 LEU 69 -8.623 1.595 1.595 550 H MET 70 HN MET 70 -12.860 -0.408 -0.408 551 HA MET 70 HA MET 70 -13.276 -2.863 -2.863 552 1HB MET 70 2HB MET 70 -13.676 -3.796 -3.796 553 2HB MET 70 1HB MET 70 -14.967 -3.023 -3.023 554 1HG MET 70 2HG MET 70 -14.664 -0.971 -0.971 555 2HG MET 70 1HG MET 70 -13.229 -1.604 -1.604 556 1HE MET 70 2HE MET 70 -13.191 -2.672 -2.672 557 2HE MET 70 1HE MET 70 -14.593 -2.703 -2.703 558 3HE MET 70 3HE MET 70 -14.047 -1.176 -1.176 559 H ALA 71 HN ALA 71 -12.128 -4.781 -4.781 560 HA ALA 71 HA ALA 71 -9.438 -4.039 -4.039 561 1HB ALA 71 2HB ALA 71 -9.528 -4.763 -4.763 562 2HB ALA 71 1HB ALA 71 -10.124 -6.332 -6.332 563 3HB ALA 71 3HB ALA 71 -8.514 -5.790 -5.790 564 H VAL 72 HN VAL 72 -8.304 -5.597 -5.597 565 HA VAL 72 HA VAL 72 -10.016 -7.602 -7.602 566 HB VAL 72 HB VAL 72 -8.005 -5.870 -5.870 567 1HG1 VAL 72 1HG1 VAL 72 -9.916 -8.013 -8.013 568 2HG1 VAL 72 3HG1 VAL 72 -9.235 -6.831 -6.831 569 3HG1 VAL 72 2HG1 VAL 72 -8.170 -7.927 -7.927 570 1HG2 VAL 72 1HG2 VAL 72 -10.156 -4.750 -4.750 571 2HG2 VAL 72 3HG2 VAL 72 -9.735 -4.551 -4.551 572 3HG2 VAL 72 2HG2 VAL 72 -10.976 -5.711 -5.711 573 H SER 73 HN SER 73 -9.167 -9.460 -9.460 574 HA SER 73 HA SER 73 -6.312 -9.753 -9.753 575 1HB SER 73 2HB SER 73 -7.583 -12.270 -12.270 576 2HB SER 73 1HB SER 73 -7.003 -11.215 -11.215 577 HG SER 73 HG SER 73 -9.285 -11.783 -11.783 578 H CYS 74 HN CYS 74 -4.933 -10.521 -10.521 579 HA CYS 74 HA CYS 74 -5.962 -12.169 -12.169 580 1HB CYS 74 2HB CYS 74 -4.098 -10.996 -10.996 581 2HB CYS 74 1HB CYS 74 -5.616 -10.146 -10.146 582 HG CYS 74 HG CYS 74 -3.925 -9.167 -9.167 583 H ASP 75 HN ASP 75 -5.203 -14.106 -14.106 584 HA ASP 75 HA ASP 75 -2.872 -14.662 -14.662 585 1HB ASP 75 2HB ASP 75 -4.882 -16.155 -16.155 586 2HB ASP 75 1HB ASP 75 -3.310 -16.798 -16.798 587 H THR 76 HN THR 76 -0.833 -15.516 -15.516 588 HA THR 76 HA THR 76 0.416 -14.054 -14.054 589 HB THR 76 HB THR 76 2.395 -15.073 -15.073 590 HG1 THR 76 1HG THR 76 0.923 -17.305 -17.305 591 1HG2 THR 76 2HG2 THR 76 1.139 -14.024 -14.024 592 2HG2 THR 76 1HG2 THR 76 0.826 -15.681 -15.681 593 3HG2 THR 76 3HG2 THR 76 2.485 -15.103 -15.103 594 H PHE 77 HN PHE 77 1.343 -14.785 -14.785 595 HA PHE 77 HA PHE 77 0.565 -17.405 -17.405 596 1HB PHE 77 2HB PHE 77 -0.659 -16.643 -16.643 597 2HB PHE 77 1HB PHE 77 -1.320 -15.778 -15.778 598 HD1 PHE 77 2HD PHE 77 -0.017 -13.462 -13.462 599 HD2 PHE 77 1HD PHE 77 -0.340 -15.431 -15.431 600 HE1 PHE 77 2HE PHE 77 0.382 -11.323 -11.323 601 HE2 PHE 77 1HE PHE 77 0.059 -13.297 -13.297 602 HZ PHE 77 HZ PHE 77 0.420 -11.240 -11.240 603 H ASN 78 HN ASN 78 1.113 -16.888 -16.888 604 HA ASN 78 HA ASN 78 3.878 -15.913 -15.913 605 1HB ASN 78 2HB ASN 78 3.242 -18.629 -18.629 606 2HB ASN 78 1HB ASN 78 3.582 -18.270 -18.270 607 1HD2 ASN 78 2HD2 ASN 78 6.880 -19.015 -19.015 608 2HD2 ASN 78 1HD2 ASN 78 5.434 -19.602 -19.602 609 H ALA 79 HN ALA 79 3.325 -14.131 -14.131 610 HA ALA 79 HA ALA 79 1.687 -14.227 -14.227 611 1HB ALA 79 3HB ALA 79 3.709 -12.164 -12.164 612 2HB ALA 79 2HB ALA 79 2.528 -11.954 -11.954 613 3HB ALA 79 1HB ALA 79 1.985 -12.169 -12.169 614 H ALA 80 HN ALA 80 4.975 -15.052 -15.052 615 HA ALA 80 HA ALA 80 6.292 -14.477 -14.477 616 1HB ALA 80 3HB ALA 80 6.763 -16.111 -16.111 617 2HB ALA 80 2HB ALA 80 6.768 -17.232 -17.232 618 3HB ALA 80 1HB ALA 80 7.859 -15.845 -15.845 619 H THR 81 HN THR 81 3.723 -16.787 -16.787 620 HA THR 81 HA THR 81 3.660 -17.223 -17.223 621 HB THR 81 HB THR 81 3.387 -19.640 -19.640 622 HG1 THR 81 1HG THR 81 2.900 -20.367 -20.367 623 1HG2 THR 81 3HG2 THR 81 5.696 -18.558 -18.558 624 2HG2 THR 81 2HG2 THR 81 5.861 -18.956 -18.956 625 3HG2 THR 81 1HG2 THR 81 5.600 -20.239 -20.239 626 H GLU 82 HN GLU 82 1.929 -15.562 -15.562 627 HA GLU 82 HA GLU 82 -0.596 -16.927 -16.927 628 1HB GLU 82 2HB GLU 82 0.079 -15.397 -15.397 629 2HB GLU 82 1HB GLU 82 -1.530 -15.956 -15.956 630 1HG GLU 82 2HG GLU 82 -0.616 -18.285 -18.285 631 2HG GLU 82 1HG GLU 82 0.879 -17.631 -17.631 632 H ASP 83 HN ASP 83 -2.411 -15.415 -15.415 633 HA ASP 83 HA ASP 83 -1.599 -13.058 -13.058 634 1HB ASP 83 2HB ASP 83 -4.070 -12.821 -12.821 635 2HB ASP 83 1HB ASP 83 -3.380 -14.346 -14.346 636 H LEU 84 HN LEU 84 -2.361 -10.928 -10.928 637 HA LEU 84 HA LEU 84 -3.178 -10.458 -10.458 638 1HB LEU 84 2HB LEU 84 -1.315 -8.623 -8.623 639 2HB LEU 84 1HB LEU 84 -1.656 -8.672 -8.672 640 HG LEU 84 HG LEU 84 -0.218 -10.883 -10.883 641 1HD1 LEU 84 3HD1 LEU 84 0.746 -8.296 -8.296 642 2HD1 LEU 84 2HD1 LEU 84 1.685 -9.705 -9.705 643 3HD1 LEU 84 1HD1 LEU 84 1.432 -9.368 -9.368 644 1HD2 LEU 84 3HD2 LEU 84 -0.554 -10.216 -10.216 645 2HD2 LEU 84 2HD2 LEU 84 -1.237 -11.597 -11.597 646 3HD2 LEU 84 1HD2 LEU 84 0.507 -11.474 -11.474 647 H ASN 85 HN ASN 85 -4.905 -10.608 -10.608 648 HA ASN 85 HA ASN 85 -6.028 -7.921 -7.921 649 1HB ASN 85 2HB ASN 85 -4.761 -9.044 -9.044 650 2HB ASN 85 1HB ASN 85 -6.460 -8.700 -8.700 651 1HD2 ASN 85 2HD2 ASN 85 -4.411 -5.711 -5.711 652 2HD2 ASN 85 1HD2 ASN 85 -4.411 -7.363 -7.363 653 H ASN 86 HN ASN 86 -6.704 -10.527 -10.527 654 HA ASN 86 HA ASN 86 -9.289 -11.000 -11.000 655 1HB ASN 86 2HB ASN 86 -7.296 -12.819 -12.819 656 2HB ASN 86 1HB ASN 86 -8.950 -13.152 -13.152 657 1HD2 ASN 86 2HD2 ASN 86 -8.087 -13.354 -13.354 658 2HD2 ASN 86 1HD2 ASN 86 -7.326 -12.167 -12.167 659 H ASP 87 HN ASP 87 -7.684 -10.797 -10.797 660 HA ASP 87 HA ASP 87 -9.941 -10.990 -10.990 661 1HB ASP 87 2HB ASP 87 -7.252 -9.708 -9.708 662 2HB ASP 87 1HB ASP 87 -8.487 -9.496 -9.496 663 H ARG 88 HN ARG 88 -11.455 -9.574 -9.574 664 HA ARG 88 HA ARG 88 -11.250 -6.747 -6.747 665 1HB ARG 88 2HB ARG 88 -13.277 -6.590 -6.590 666 2HB ARG 88 1HB ARG 88 -11.836 -7.219 -7.219 667 1HG ARG 88 2HG ARG 88 -12.729 -9.519 -9.519 668 2HG ARG 88 1HG ARG 88 -14.225 -8.780 -8.780 669 1HD ARG 88 2HD ARG 88 -14.929 -8.635 -8.635 670 2HD ARG 88 1HD ARG 88 -13.591 -7.540 -7.540 671 HE ARG 88 HE ARG 88 -12.562 -9.236 -9.236 672 1HH1 ARG 88 1HH2 ARG 88 -14.998 -10.590 -10.590 673 2HH1 ARG 88 2HH2 ARG 88 -14.821 -12.198 -12.198 674 1HH2 ARG 88 1HH1 ARG 88 -12.320 -11.350 -11.350 675 2HH2 ARG 88 2HH1 ARG 88 -13.297 -12.631 -12.631 676 H ILE 89 HN ILE 89 -12.461 -5.727 -5.727 677 HA ILE 89 HA ILE 89 -14.430 -7.336 -7.336 678 HB ILE 89 HB ILE 89 -12.934 -4.869 -4.869 679 1HG1 ILE 89 2HG1 ILE 89 -12.643 -7.732 -7.732 680 2HG1 ILE 89 1HG1 ILE 89 -11.571 -6.965 -6.965 681 1HG2 ILE 89 3HG2 ILE 89 -15.182 -5.079 -5.079 682 2HG2 ILE 89 2HG2 ILE 89 -14.753 -6.687 -6.687 683 3HG2 ILE 89 1HG2 ILE 89 -13.899 -5.269 -5.269 684 1HD1 ILE 89 1HD1 ILE 89 -11.985 -5.674 -5.674 685 2HD1 ILE 89 3HD1 ILE 89 -10.933 -7.083 -7.083 686 3HD1 ILE 89 2HD1 ILE 89 -10.582 -5.637 -5.637 687 H THR 90 HN THR 90 -16.504 -6.857 -6.857 688 HA THR 90 HA THR 90 -17.219 -4.233 -4.233 689 HB THR 90 HB THR 90 -19.035 -6.631 -6.631 690 HG1 THR 90 1HG THR 90 -17.224 -7.288 -7.288 691 1HG2 THR 90 2HG2 THR 90 -19.875 -4.286 -4.286 692 2HG2 THR 90 1HG2 THR 90 -19.021 -4.546 -4.546 693 3HG2 THR 90 3HG2 THR 90 -20.315 -5.643 -5.643 694 H ILE 91 HN ILE 91 -18.608 -2.874 -2.874 695 HA ILE 91 HA ILE 91 -19.550 -3.714 -3.714 696 HB ILE 91 HB ILE 91 -18.809 -0.914 -0.914 697 1HG1 ILE 91 2HG1 ILE 91 -16.958 -1.366 -1.366 698 2HG1 ILE 91 1HG1 ILE 91 -17.284 -3.063 -3.063 699 1HG2 ILE 91 2HG2 ILE 91 -20.305 -1.948 -1.948 700 2HG2 ILE 91 1HG2 ILE 91 -18.818 -1.201 -1.201 701 3HG2 ILE 91 3HG2 ILE 91 -19.937 -0.272 -0.272 702 1HD1 ILE 91 2HD1 ILE 91 -17.007 -1.975 -1.975 703 2HD1 ILE 91 1HD1 ILE 91 -15.810 -1.105 -1.105 704 3HD1 ILE 91 3HD1 ILE 91 -15.774 -2.866 -2.866 705 H GLU 92 HN GLU 92 -21.681 -3.730 -3.730 706 HA GLU 92 HA GLU 92 -23.335 -2.025 -2.025 707 1HB GLU 92 2HB GLU 92 -24.151 -4.736 -4.736 708 2HB GLU 92 1HB GLU 92 -24.998 -3.749 -3.749 709 1HG GLU 92 2HG GLU 92 -23.949 -4.856 -4.856 710 2HG GLU 92 1HG GLU 92 -22.435 -4.141 -4.141 711 H TRP 93 HN TRP 93 -24.503 -0.575 -0.575 712 HA TRP 93 HA TRP 93 -25.390 -1.249 -1.249 713 1HB TRP 93 2HB TRP 93 -24.799 0.892 0.892 714 2HB TRP 93 1HB TRP 93 -23.387 0.299 0.299 715 HD1 TRP 93 1HD TRP 93 -25.596 3.254 3.254 716 HE1 TRP 93 1HE TRP 93 -25.087 4.927 4.927 717 HE3 TRP 93 3HE TRP 93 -22.696 0.268 0.268 718 HZ2 TRP 93 2HZ TRP 93 -23.646 4.975 4.975 719 HZ3 TRP 93 3HZ TRP 93 -21.793 1.204 1.204 720 HH2 TRP 93 2HH TRP 93 -22.260 3.509 3.509 721 H THR 94 HN THR 94 -27.397 -0.493 -0.493 722 HA THR 94 HA THR 94 -28.882 1.197 1.197 723 HB THR 94 HB THR 94 -29.495 -0.894 -0.894 724 HG1 THR 94 1HG THR 94 -31.323 0.338 0.338 725 1HG2 THR 94 3HG2 THR 94 -28.692 -2.046 -2.046 726 2HG2 THR 94 2HG2 THR 94 -30.443 -2.155 -2.155 727 3HG2 THR 94 1HG2 THR 94 -29.657 -2.859 -2.859 728 H ASN 95 HN ASN 95 -29.845 2.731 2.731 729 HA ASN 95 HA ASN 95 -29.871 3.078 3.078 730 1HB ASN 95 2HB ASN 95 -31.957 4.513 4.513 731 2HB ASN 95 1HB ASN 95 -30.521 4.915 4.915 732 1HD2 ASN 95 2HD2 ASN 95 -32.755 5.054 5.054 733 2HD2 ASN 95 1HD2 ASN 95 -31.843 5.955 5.955 734 H THR 96 HN THR 96 -31.176 2.616 2.616 735 HA THR 96 HA THR 96 -32.791 0.235 0.235 736 HB THR 96 HB THR 96 -32.779 0.152 0.152 737 HG1 THR 96 1HG THR 96 -32.667 1.875 1.875 738 1HG2 THR 96 1HG2 THR 96 -30.498 -0.072 -0.072 739 2HG2 THR 96 3HG2 THR 96 -30.212 1.606 1.606 740 3HG2 THR 96 2HG2 THR 96 -30.534 0.395 0.395 741 HA PRO 97 HA PRO 97 -36.751 2.145 2.145 742 1HB PRO 97 2HB PRO 97 -38.268 0.349 0.349 743 2HB PRO 97 1HB PRO 97 -37.725 0.094 0.094 744 1HG PRO 97 2HG PRO 97 -36.577 -0.952 -0.952 745 2HG PRO 97 1HG PRO 97 -36.786 -1.775 -1.775 746 1HD PRO 97 2HD PRO 97 -34.399 -0.817 -0.817 747 2HD PRO 97 1HD PRO 97 -34.892 -0.810 -0.810 748 H ASP 98 HN ASP 98 -38.532 3.028 3.028 749 HA ASP 98 HA ASP 98 -37.789 4.700 4.700 750 1HB ASP 98 2HB ASP 98 -40.522 3.440 3.440 751 2HB ASP 98 1HB ASP 98 -40.157 4.935 4.935 752 H GLY 99 HN GLY 99 -36.904 4.311 4.311 753 1HA GLY 99 2HA GLY 99 -36.345 3.249 3.249 754 2HA GLY 99 1HA GLY 99 -38.087 3.094 3.094 755 H ALA 100 HN ALA 100 -35.746 1.542 1.542 756 HA ALA 100 HA ALA 100 -36.955 -0.935 -0.935 757 1HB ALA 100 2HB ALA 100 -34.579 0.189 0.189 758 2HB ALA 100 1HB ALA 100 -34.094 -1.249 -1.249 759 3HB ALA 100 3HB ALA 100 -35.261 -1.384 -1.384 760 H ALA 101 HN ALA 101 -33.892 -0.538 -0.538 761 HA ALA 101 HA ALA 101 -34.683 -1.229 -1.229 762 1HB ALA 101 1HB ALA 101 -34.157 -3.636 -3.636 763 2HB ALA 101 3HB ALA 101 -34.002 -3.665 -3.665 764 3HB ALA 101 2HB ALA 101 -35.560 -3.302 -3.302 765 H LYS 102 HN LYS 102 -32.906 -2.010 -2.010 766 HA LYS 102 HA LYS 102 -30.403 -0.868 -0.868 767 1HB LYS 102 2HB LYS 102 -31.008 -2.021 -2.021 768 2HB LYS 102 1HB LYS 102 -29.688 -0.942 -0.942 769 1HG LYS 102 2HG LYS 102 -31.522 0.730 0.730 770 2HG LYS 102 1HG LYS 102 -32.604 -0.323 -0.323 771 1HD LYS 102 2HD LYS 102 -31.561 0.131 0.131 772 2HD LYS 102 1HD LYS 102 -30.043 0.591 0.591 773 1HE LYS 102 2HE LYS 102 -30.659 2.714 2.714 774 2HE LYS 102 1HE LYS 102 -31.931 2.410 2.410 775 1HZ LYS 102 3HZ LYS 102 -32.464 1.663 1.663 776 2HZ LYS 102 2HZ LYS 102 -32.451 3.313 3.313 777 3HZ LYS 102 1HZ LYS 102 -33.515 2.277 2.277 778 H GLN 103 HN GLN 103 -30.285 -2.675 -2.675 779 HA GLN 103 HA GLN 103 -28.215 -4.401 -4.401 780 1HB GLN 103 2HB GLN 103 -29.478 -6.606 -6.606 781 2HB GLN 103 1HB GLN 103 -29.548 -5.660 -5.660 782 1HG GLN 103 2HG GLN 103 -31.735 -4.806 -4.806 783 2HG GLN 103 1HG GLN 103 -31.680 -6.553 -6.553 784 1HE2 GLN 103 2HE2 GLN 103 -33.102 -7.211 -7.211 785 2HE2 GLN 103 1HE2 GLN 103 -32.767 -7.678 -7.678 786 H PHE 104 HN PHE 104 -27.368 -4.977 -4.977 787 HA PHE 104 HA PHE 104 -28.375 -4.233 -4.233 788 1HB PHE 104 2HB PHE 104 -26.045 -4.864 -4.864 789 2HB PHE 104 1HB PHE 104 -26.509 -6.536 -6.536 790 HD1 PHE 104 2HD PHE 104 -27.433 -7.909 -7.909 791 HD2 PHE 104 1HD PHE 104 -25.837 -4.020 -4.020 792 HE1 PHE 104 2HE PHE 104 -27.249 -8.399 -8.399 793 HE2 PHE 104 1HE PHE 104 -25.652 -4.501 -4.501 794 HZ PHE 104 HZ PHE 104 -26.358 -6.693 -6.693 795 H ARG 105 HN ARG 105 -29.831 -4.995 -4.995 796 HA ARG 105 HA ARG 105 -30.954 -7.674 -7.674 797 1HB ARG 105 2HB ARG 105 -32.338 -5.416 -5.416 798 2HB ARG 105 1HB ARG 105 -32.641 -5.610 -5.610 799 1HG ARG 105 2HG ARG 105 -33.338 -8.004 -8.004 800 2HG ARG 105 1HG ARG 105 -33.403 -7.427 -7.427 801 1HD ARG 105 2HD ARG 105 -34.855 -6.074 -6.074 802 2HD ARG 105 1HD ARG 105 -35.576 -7.361 -7.361 803 HE ARG 105 HE ARG 105 -34.533 -5.252 -5.252 804 1HH1 ARG 105 1HH2 ARG 105 -37.242 -6.204 -6.204 805 2HH1 ARG 105 2HH2 ARG 105 -38.371 -5.185 -5.185 806 1HH2 ARG 105 1HH1 ARG 105 -36.010 -3.903 -3.903 807 2HH2 ARG 105 2HH1 ARG 105 -37.670 -3.876 -3.876 808 H ARG 106 HN ARG 106 -31.629 -8.876 -8.876 809 HA ARG 106 HA ARG 106 -30.287 -8.084 -8.084 810 1HB ARG 106 2HB ARG 106 -29.658 -10.255 -10.255 811 2HB ARG 106 1HB ARG 106 -31.303 -10.815 -10.815 812 1HG ARG 106 2HG ARG 106 -30.421 -9.887 -9.887 813 2HG ARG 106 1HG ARG 106 -29.071 -10.794 -10.794 814 1HD ARG 106 2HD ARG 106 -30.100 -12.735 -12.735 815 2HD ARG 106 1HD ARG 106 -31.568 -12.171 -12.171 816 HE ARG 106 HE ARG 106 -31.453 -11.020 -11.020 817 1HH1 ARG 106 1HH2 ARG 106 -31.820 -14.154 -14.154 818 2HH1 ARG 106 2HH2 ARG 106 -32.761 -14.799 -14.799 819 1HH2 ARG 106 1HH1 ARG 106 -32.692 -11.857 -11.857 820 2HH2 ARG 106 2HH1 ARG 106 -33.257 -13.493 -13.493 821 H GLU 107 HN GLU 107 -32.940 -7.123 -7.123 822 HA GLU 107 HA GLU 107 -34.600 -8.236 -8.236 823 1HB GLU 107 2HB GLU 107 -35.207 -7.402 -7.402 824 2HB GLU 107 1HB GLU 107 -36.360 -6.850 -6.850 825 1HG GLU 107 2HG GLU 107 -36.285 -9.342 -9.342 826 2HG GLU 107 1HG GLU 107 -35.689 -9.621 -9.621 827 H TRP 108 HN TRP 108 -32.694 -5.624 -5.624 828 HA TRP 108 HA TRP 108 -34.462 -3.640 -3.640 829 1HB TRP 108 2HB TRP 108 -31.586 -3.241 -3.241 830 2HB TRP 108 1HB TRP 108 -32.829 -2.015 -2.015 831 HD1 TRP 108 1HD TRP 108 -35.092 -3.543 -3.543 832 HE1 TRP 108 1HE TRP 108 -34.849 -3.500 -3.500 833 HE3 TRP 108 3HE TRP 108 -30.098 -2.497 -2.497 834 HZ2 TRP 108 2HZ TRP 108 -32.810 -3.078 -3.078 835 HZ3 TRP 108 3HZ TRP 108 -29.079 -2.289 -2.289 836 HH2 TRP 108 2HH TRP 108 -30.408 -2.573 -2.573 837 H PHE 109 HN PHE 109 -33.205 -6.028 -6.028 838 HA PHE 109 HA PHE 109 -31.871 -4.495 -4.495 839 1HB PHE 109 2HB PHE 109 -31.377 -7.204 -7.204 840 2HB PHE 109 1HB PHE 109 -31.145 -6.998 -6.998 841 HD1 PHE 109 1HD PHE 109 -30.001 -5.950 -5.950 842 HD2 PHE 109 2HD PHE 109 -29.313 -5.739 -5.739 843 HE1 PHE 109 1HE PHE 109 -27.768 -5.002 -5.002 844 HE2 PHE 109 2HE PHE 109 -27.080 -4.792 -4.792 845 HZ PHE 109 HZ PHE 109 -26.306 -4.421 -4.421 846 H GLN 110 HN GLN 110 -34.502 -6.581 -6.581 847 HA GLN 110 HA GLN 110 -35.154 -7.605 -7.605 848 1HB GLN 110 2HB GLN 110 -37.424 -7.899 -7.899 849 2HB GLN 110 1HB GLN 110 -36.192 -8.434 -8.434 850 1HG GLN 110 2HG GLN 110 -37.585 -7.286 -7.286 851 2HG GLN 110 1HG GLN 110 -36.444 -6.015 -6.015 852 1HE2 GLN 110 2HE2 GLN 110 -39.516 -4.275 -4.275 853 2HE2 GLN 110 1HE2 GLN 110 -38.329 -4.717 -4.717 854 H GLY 111 HN GLY 111 -35.744 -4.468 -4.468 855 1HA GLY 111 2HA GLY 111 -37.745 -3.522 -3.522 856 2HA GLY 111 1HA GLY 111 -36.561 -2.516 -2.516 857 H ASP 112 HN ASP 112 -37.743 -2.366 -2.366 858 HA ASP 112 HA ASP 112 -35.439 -2.849 -2.849 859 1HB ASP 112 2HB ASP 112 -38.322 -2.435 -2.435 860 2HB ASP 112 1HB ASP 112 -37.309 -1.621 -1.621 861 H GLY 113 HN GLY 113 -34.428 -1.207 -1.207 862 1HA GLY 113 2HA GLY 113 -33.882 1.001 1.001 863 2HA GLY 113 1HA GLY 113 -35.077 1.566 1.566 864 H MET 114 HN MET 114 -34.528 1.366 1.366 865 HA MET 114 HA MET 114 -32.199 2.628 2.628 866 1HB MET 114 2HB MET 114 -34.088 0.862 0.862 867 2HB MET 114 1HB MET 114 -32.608 1.397 1.397 868 1HG MET 114 2HG MET 114 -34.002 3.055 3.055 869 2HG MET 114 1HG MET 114 -33.420 3.755 3.755 870 1HE MET 114 2HE MET 114 -35.600 4.926 4.926 871 2HE MET 114 1HE MET 114 -35.906 5.419 5.419 872 3HE MET 114 3HE MET 114 -37.206 4.721 4.721 873 H VAL 115 HN VAL 115 -30.494 1.757 1.757 874 HA VAL 115 HA VAL 115 -28.844 0.246 0.246 875 HB VAL 115 HB VAL 115 -29.810 -1.677 -1.677 876 1HG1 VAL 115 1HG1 VAL 115 -27.570 -1.986 -1.986 877 2HG1 VAL 115 3HG1 VAL 115 -28.375 -2.163 -2.163 878 3HG1 VAL 115 2HG1 VAL 115 -28.681 -3.328 -3.328 879 1HG2 VAL 115 1HG2 VAL 115 -31.267 -0.829 -0.829 880 2HG2 VAL 115 3HG2 VAL 115 -31.661 -2.117 -2.117 881 3HG2 VAL 115 2HG2 VAL 115 -30.698 -2.473 -2.473 882 H ARG 116 HN ARG 116 -27.073 1.261 1.261 883 HA ARG 116 HA ARG 116 -26.473 1.399 1.399 884 1HB ARG 116 2HB ARG 116 -25.518 2.920 2.920 885 2HB ARG 116 1HB ARG 116 -24.566 2.917 2.917 886 1HG ARG 116 2HG ARG 116 -26.187 4.060 4.060 887 2HG ARG 116 1HG ARG 116 -27.468 3.631 3.631 888 1HD ARG 116 2HD ARG 116 -26.287 5.044 5.044 889 2HD ARG 116 1HD ARG 116 -25.225 5.597 5.597 890 HE ARG 116 HE ARG 116 -27.902 6.449 6.449 891 1HH1 ARG 116 1HH2 ARG 116 -25.537 5.941 5.941 892 2HH1 ARG 116 2HH2 ARG 116 -26.239 7.103 7.103 893 1HH2 ARG 116 1HH1 ARG 116 -28.832 7.982 7.982 894 2HH2 ARG 116 2HH1 ARG 116 -28.111 8.264 8.264 895 H ARG 117 HN ARG 117 -24.543 0.641 0.641 896 HA ARG 117 HA ARG 117 -23.196 -1.392 -1.392 897 1HB ARG 117 2HB ARG 117 -23.883 -1.157 -1.157 898 2HB ARG 117 1HB ARG 117 -22.324 -1.889 -1.889 899 1HG ARG 117 2HG ARG 117 -23.336 -3.810 -3.810 900 2HG ARG 117 1HG ARG 117 -24.206 -3.061 -3.061 901 1HD ARG 117 2HD ARG 117 -26.032 -2.478 -2.478 902 2HD ARG 117 1HD ARG 117 -25.125 -2.846 -2.846 903 HE ARG 117 HE ARG 117 -25.211 -5.206 -5.206 904 1HH1 ARG 117 1HH2 ARG 117 -27.579 -2.951 -2.951 905 2HH1 ARG 117 2HH2 ARG 117 -28.794 -4.160 -4.160 906 1HH2 ARG 117 1HH1 ARG 117 -26.800 -6.807 -6.807 907 2HH2 ARG 117 2HH1 ARG 117 -28.350 -6.354 -6.354 908 H LYS 118 HN LYS 118 -20.912 -1.683 -1.683 909 HA LYS 118 HA LYS 118 -19.370 0.560 0.560 910 1HB LYS 118 2HB LYS 118 -19.874 0.101 0.101 911 2HB LYS 118 1HB LYS 118 -18.155 0.045 0.045 912 1HG LYS 118 2HG LYS 118 -19.582 2.283 2.283 913 2HG LYS 118 1HG LYS 118 -19.566 2.304 2.304 914 1HD LYS 118 2HD LYS 118 -17.517 3.168 3.168 915 2HD LYS 118 1HD LYS 118 -16.967 1.614 1.614 916 1HE LYS 118 2HE LYS 118 -16.239 3.019 3.019 917 2HE LYS 118 1HE LYS 118 -17.832 2.585 2.585 918 1HZ LYS 118 2HZ LYS 118 -18.700 4.643 4.643 919 2HZ LYS 118 1HZ LYS 118 -17.146 5.064 5.064 920 3HZ LYS 118 3HZ LYS 118 -17.486 4.950 4.950 921 H ASN 119 HN ASN 119 -17.041 0.097 0.097 922 HA ASN 119 HA ASN 119 -16.338 -2.726 -2.726 923 1HB ASN 119 2HB ASN 119 -16.453 -1.191 -1.191 924 2HB ASN 119 1HB ASN 119 -15.176 -2.386 -2.386 925 1HD2 ASN 119 2HD2 ASN 119 -19.059 -3.528 -3.528 926 2HD2 ASN 119 1HD2 ASN 119 -18.643 -1.893 -1.893 927 H LEU 120 HN LEU 120 -14.134 -3.142 -3.142 928 HA LEU 120 HA LEU 120 -12.245 -0.944 -0.944 929 1HB LEU 120 2HB LEU 120 -13.067 -2.316 -2.316 930 2HB LEU 120 1HB LEU 120 -11.460 -1.635 -1.635 931 HG LEU 120 HG LEU 120 -14.035 -0.080 -0.080 932 1HD1 LEU 120 3HD1 LEU 120 -12.021 -0.173 -0.173 933 2HD1 LEU 120 2HD1 LEU 120 -13.401 0.921 0.921 934 3HD1 LEU 120 1HD1 LEU 120 -13.662 -0.817 -0.817 935 1HD2 LEU 120 2HD2 LEU 120 -11.399 0.488 0.488 936 2HD2 LEU 120 1HD2 LEU 120 -12.817 1.538 1.538 937 3HD2 LEU 120 3HD2 LEU 120 -11.750 1.532 1.532 938 HA PRO 121 HA PRO 121 -10.562 -4.912 -4.912 939 1HB PRO 121 2HB PRO 121 -8.664 -2.841 -2.841 940 2HB PRO 121 1HB PRO 121 -9.387 -4.212 -4.212 941 1HG PRO 121 2HG PRO 121 -10.280 -1.740 -1.740 942 2HG PRO 121 1HG PRO 121 -11.402 -3.112 -3.112 943 1HD PRO 121 2HD PRO 121 -10.850 -0.992 -0.992 944 2HD PRO 121 1HD PRO 121 -12.373 -1.825 -1.825 945 H ILE 122 HN ILE 122 -8.553 -5.976 -5.976 946 HA ILE 122 HA ILE 122 -7.008 -4.840 -4.840 947 HB ILE 122 HB ILE 122 -7.386 -7.763 -7.763 948 1HG1 ILE 122 2HG1 ILE 122 -9.468 -6.616 -6.616 949 2HG1 ILE 122 1HG1 ILE 122 -8.898 -7.873 -7.873 950 1HG2 ILE 122 1HG2 ILE 122 -5.987 -6.311 -6.311 951 2HG2 ILE 122 3HG2 ILE 122 -6.476 -8.001 -8.001 952 3HG2 ILE 122 2HG2 ILE 122 -5.327 -7.509 -7.509 953 1HD1 ILE 122 3HD1 ILE 122 -7.771 -5.329 -5.329 954 2HD1 ILE 122 2HD1 ILE 122 -9.529 -5.238 -5.238 955 3HD1 ILE 122 1HD1 ILE 122 -8.756 -6.432 -6.432 956 H GLU 123 HN GLU 123 -4.770 -5.003 -5.003 957 HA GLU 123 HA GLU 123 -3.508 -6.131 -6.131 958 1HB GLU 123 2HB GLU 123 -3.789 -3.323 -3.323 959 2HB GLU 123 1HB GLU 123 -2.089 -3.770 -3.770 960 1HG GLU 123 2HG GLU 123 -3.009 -5.037 -5.037 961 2HG GLU 123 1HG GLU 123 -3.964 -3.554 -3.554 962 H TYR 124 HN TYR 124 -1.130 -6.237 -6.237 963 HA TYR 124 HA TYR 124 -0.267 -6.483 -6.483 964 1HB TYR 124 2HB TYR 124 0.152 -8.532 -8.532 965 2HB TYR 124 1HB TYR 124 0.922 -8.587 -8.587 966 HD1 TYR 124 1HD TYR 124 -2.308 -8.829 -8.829 967 HD2 TYR 124 2HD TYR 124 -0.261 -9.362 -9.362 968 HE1 TYR 124 1HE TYR 124 -4.251 -10.043 -10.043 969 HE2 TYR 124 2HE TYR 124 -2.197 -10.579 -10.579 970 HH TYR 124 HH TYR 124 -5.005 -10.451 -10.451 971 H ASN 125 HN ASN 125 1.267 -4.984 -4.984 972 HA ASN 125 HA ASN 125 3.104 -4.481 -4.481 973 1HB ASN 125 2HB ASN 125 1.932 -2.590 -2.590 974 2HB ASN 125 1HB ASN 125 2.899 -2.975 -2.975 975 1HD2 ASN 125 2HD2 ASN 125 5.350 -0.802 -0.802 976 2HD2 ASN 125 1HD2 ASN 125 4.313 -1.386 -1.386 977 H LEU 126 HN LEU 126 4.298 -6.438 -6.438 978 HA LEU 126 HA LEU 126 5.561 -7.332 -7.332 979 1HB LEU 126 2HB LEU 126 6.527 -7.556 -7.556 980 2HB LEU 126 1HB LEU 126 7.106 -8.516 -8.516 981 HG LEU 126 HG LEU 126 4.218 -8.544 -8.544 982 1HD1 LEU 126 2HD1 LEU 126 6.556 -9.904 -9.904 983 2HD1 LEU 126 1HD1 LEU 126 5.076 -10.842 -10.842 984 3HD1 LEU 126 3HD1 LEU 126 5.050 -9.356 -9.356 985 1HD2 LEU 126 2HD2 LEU 126 4.971 -9.393 -9.393 986 2HD2 LEU 126 1HD2 LEU 126 4.082 -10.536 -10.536 987 3HD2 LEU 126 3HD2 LEU 126 5.836 -10.660 -10.660 988 1H ALA 1 3HN ALA 1 37.365 -9.789 -9.789 989 2H ALA 1 2HN ALA 1 35.790 -9.108 -9.108 990 3H ALA 1 1HN ALA 1 37.165 -8.087 -8.087 991 HA ALA 1 HA ALA 1 36.137 -8.156 -8.156 992 1HB ALA 1 2HB ALA 1 35.448 -10.742 -10.742 993 2HB ALA 1 1HB ALA 1 36.567 -10.949 -10.949 994 3HB ALA 1 3HB ALA 1 35.121 -9.958 -9.958 995 H GLN 2 HN GLN 2 37.948 -7.052 -7.052 996 HA GLN 2 HA GLN 2 40.553 -8.148 -8.148 997 1HB GLN 2 2HB GLN 2 39.511 -5.633 -5.633 998 2HB GLN 2 1HB GLN 2 39.998 -5.954 -5.954 999 1HG GLN 2 2HG GLN 2 41.781 -6.147 -6.147 1000 2HG GLN 2 1HG GLN 2 41.744 -4.813 -4.813 1001 1HE2 GLN 2 2HE2 GLN 2 43.976 -8.046 -8.046 1002 2HE2 GLN 2 1HE2 GLN 2 43.158 -7.740 -7.740 1003 H SER 3 HN SER 3 37.966 -7.957 -7.957 1004 HA SER 3 HA SER 3 39.381 -9.880 -9.880 1005 1HB SER 3 2HB SER 3 40.124 -8.047 -8.047 1006 2HB SER 3 1HB SER 3 38.687 -7.093 -7.093 1007 HG SER 3 HG SER 3 39.178 -8.673 -8.673 1008 H VAL 4 HN VAL 4 36.613 -7.797 -7.797 1009 HA VAL 4 HA VAL 4 34.729 -9.935 -9.935 1010 HB VAL 4 HB VAL 4 33.780 -9.825 -9.825 1011 1HG1 VAL 4 3HG1 VAL 4 35.373 -11.609 -11.609 1012 2HG1 VAL 4 2HG1 VAL 4 36.603 -10.836 -10.836 1013 3HG1 VAL 4 1HG1 VAL 4 35.159 -11.519 -11.519 1014 1HG2 VAL 4 2HG2 VAL 4 35.988 -7.942 -7.942 1015 2HG2 VAL 4 1HG2 VAL 4 34.530 -8.145 -8.145 1016 3HG2 VAL 4 3HG2 VAL 4 35.935 -9.168 -9.168 1017 HA PRO 5 HA PRO 5 32.726 -5.971 -5.971 1018 1HB PRO 5 2HB PRO 5 30.626 -7.068 -7.068 1019 2HB PRO 5 1HB PRO 5 32.210 -6.790 -6.790 1020 1HG PRO 5 2HG PRO 5 31.065 -9.313 -9.313 1021 2HG PRO 5 1HG PRO 5 31.991 -9.077 -9.077 1022 1HD PRO 5 2HD PRO 5 33.121 -10.043 -10.043 1023 2HD PRO 5 1HD PRO 5 34.013 -9.007 -9.007 1024 HA PRO 6 HA PRO 6 29.519 -5.601 -5.601 1025 1HB PRO 6 2HB PRO 6 27.637 -4.472 -4.472 1026 2HB PRO 6 1HB PRO 6 28.344 -3.724 -3.724 1027 1HG PRO 6 2HG PRO 6 29.088 -3.011 -3.011 1028 2HG PRO 6 1HG PRO 6 30.235 -3.038 -3.038 1029 1HD PRO 6 2HD PRO 6 29.864 -5.018 -5.018 1030 2HD PRO 6 1HD PRO 6 31.365 -4.430 -4.430 1031 H GLY 7 HN GLY 7 28.027 -6.931 -6.931 1032 1HA GLY 7 2HA GLY 7 27.033 -9.125 -9.125 1033 2HA GLY 7 1HA GLY 7 26.580 -8.715 -8.715 1034 H ASP 8 HN ASP 8 25.329 -9.224 -9.224 1035 HA ASP 8 HA ASP 8 23.642 -7.136 -7.136 1036 1HB ASP 8 2HB ASP 8 23.042 -10.098 -10.098 1037 2HB ASP 8 1HB ASP 8 22.145 -8.830 -8.830 1038 H ILE 9 HN ILE 9 22.435 -6.038 -6.038 1039 HA ILE 9 HA ILE 9 21.261 -7.272 -7.272 1040 HB ILE 9 HB ILE 9 20.358 -5.071 -5.071 1041 1HG1 ILE 9 2HG1 ILE 9 21.656 -3.813 -3.813 1042 2HG1 ILE 9 1HG1 ILE 9 20.131 -4.646 -4.646 1043 1HG2 ILE 9 2HG2 ILE 9 23.127 -5.673 -5.673 1044 2HG2 ILE 9 1HG2 ILE 9 22.848 -3.949 -3.949 1045 3HG2 ILE 9 3HG2 ILE 9 22.368 -4.713 -4.713 1046 1HD1 ILE 9 3HD1 ILE 9 20.303 -2.712 -2.712 1047 2HD1 ILE 9 2HD1 ILE 9 20.200 -2.099 -2.099 1048 3HD1 ILE 9 1HD1 ILE 9 18.930 -3.146 -3.146 1049 H ASN 10 HN ASN 10 19.090 -7.593 -7.593 1050 HA ASN 10 HA ASN 10 17.395 -7.901 -7.901 1051 1HB ASN 10 2HB ASN 10 17.754 -9.366 -9.366 1052 2HB ASN 10 1HB ASN 10 16.082 -8.816 -8.816 1053 1HD2 ASN 10 2HD2 ASN 10 17.324 -11.885 -11.885 1054 2HD2 ASN 10 1HD2 ASN 10 18.287 -11.123 -11.123 1055 H THR 11 HN THR 11 15.334 -6.999 -6.999 1056 HA THR 11 HA THR 11 14.586 -5.013 -5.013 1057 HB THR 11 HB THR 11 13.841 -3.693 -3.693 1058 HG1 THR 11 1HG THR 11 15.392 -3.898 -3.898 1059 1HG2 THR 11 2HG2 THR 11 15.292 -2.900 -2.900 1060 2HG2 THR 11 1HG2 THR 11 16.667 -3.440 -3.440 1061 3HG2 THR 11 3HG2 THR 11 15.593 -2.186 -2.186 1062 H GLN 12 HN GLN 12 12.359 -4.379 -4.379 1063 HA GLN 12 HA GLN 12 10.528 -5.866 -5.866 1064 1HB GLN 12 2HB GLN 12 10.172 -6.150 -6.150 1065 2HB GLN 12 1HB GLN 12 9.435 -7.088 -7.088 1066 1HG GLN 12 2HG GLN 12 11.673 -8.041 -8.041 1067 2HG GLN 12 1HG GLN 12 12.299 -7.198 -7.198 1068 1HE2 GLN 12 2HE2 GLN 12 11.166 -9.536 -9.536 1069 2HE2 GLN 12 1HE2 GLN 12 12.006 -8.059 -8.059 1070 HA PRO 13 HA PRO 13 8.959 -5.194 -5.194 1071 1HB PRO 13 2HB PRO 13 8.919 -2.993 -2.993 1072 2HB PRO 13 1HB PRO 13 7.482 -3.700 -3.700 1073 1HG PRO 13 2HG PRO 13 9.104 -1.342 -1.342 1074 2HG PRO 13 1HG PRO 13 7.341 -1.541 -1.541 1075 1HD PRO 13 2HD PRO 13 8.736 -1.772 -1.772 1076 2HD PRO 13 1HD PRO 13 7.326 -2.800 -2.800 1077 H SER 14 HN SER 14 10.322 -5.397 -5.397 1078 HA SER 14 HA SER 14 13.020 -4.298 -4.298 1079 1HB SER 14 2HB SER 14 12.973 -6.665 -6.665 1080 2HB SER 14 1HB SER 14 13.874 -6.362 -6.362 1081 HG SER 14 HG SER 14 12.554 -7.845 -7.845 1082 H GLN 15 HN GLN 15 10.376 -4.289 -4.289 1083 HA GLN 15 HA GLN 15 12.075 -3.557 -3.557 1084 1HB GLN 15 2HB GLN 15 9.592 -5.042 -5.042 1085 2HB GLN 15 1HB GLN 15 9.452 -3.724 -3.724 1086 1HG GLN 15 2HG GLN 15 10.798 -4.714 -4.714 1087 2HG GLN 15 1HG GLN 15 11.891 -5.330 -5.330 1088 1HE2 GLN 15 2HE2 GLN 15 10.674 -8.535 -8.535 1089 2HE2 GLN 15 1HE2 GLN 15 11.966 -7.446 -7.446 1090 H LYS 16 HN LYS 16 8.977 -2.628 -2.628 1091 HA LYS 16 HA LYS 16 9.693 0.169 0.169 1092 1HB LYS 16 2HB LYS 16 7.084 -0.496 -0.496 1093 2HB LYS 16 1HB LYS 16 8.136 0.888 0.888 1094 1HG LYS 16 2HG LYS 16 9.643 -0.427 -0.427 1095 2HG LYS 16 1HG LYS 16 8.748 -1.902 -1.902 1096 1HD LYS 16 2HD LYS 16 6.735 -0.616 -0.616 1097 2HD LYS 16 1HD LYS 16 7.989 0.378 0.378 1098 1HE LYS 16 2HE LYS 16 9.021 -1.834 -1.834 1099 2HE LYS 16 1HE LYS 16 7.470 -2.559 -2.559 1100 1HZ LYS 16 2HZ LYS 16 6.950 -0.288 -0.288 1101 2HZ LYS 16 1HZ LYS 16 8.161 -1.155 -1.155 1102 3HZ LYS 16 3HZ LYS 16 6.694 -1.907 -1.907 1103 H ILE 17 HN ILE 17 7.446 1.441 1.441 1104 HA ILE 17 HA ILE 17 5.921 0.058 0.058 1105 HB ILE 17 HB ILE 17 7.863 0.866 0.866 1106 1HG1 ILE 17 2HG1 ILE 17 5.334 2.441 2.441 1107 2HG1 ILE 17 1HG1 ILE 17 5.693 0.821 0.821 1108 1HG2 ILE 17 2HG2 ILE 17 7.913 2.946 2.946 1109 2HG2 ILE 17 1HG2 ILE 17 7.190 3.709 3.709 1110 3HG2 ILE 17 3HG2 ILE 17 8.762 2.919 2.919 1111 1HD1 ILE 17 1HD1 ILE 17 7.812 2.525 2.525 1112 2HD1 ILE 17 3HD1 ILE 17 6.288 3.315 3.315 1113 3HD1 ILE 17 2HD1 ILE 17 6.629 1.693 1.693 1114 H VAL 18 HN VAL 18 3.883 0.856 0.856 1115 HA VAL 18 HA VAL 18 3.306 3.405 3.405 1116 HB VAL 18 HB VAL 18 2.552 1.587 1.587 1117 1HG1 VAL 18 1HG1 VAL 18 2.294 -0.015 -0.015 1118 2HG1 VAL 18 3HG1 VAL 18 0.692 0.691 0.691 1119 3HG1 VAL 18 2HG1 VAL 18 1.103 -0.129 -0.129 1120 1HG2 VAL 18 1HG2 VAL 18 1.153 3.734 3.734 1121 2HG2 VAL 18 3HG2 VAL 18 0.451 2.423 2.423 1122 3HG2 VAL 18 2HG2 VAL 18 0.029 2.604 2.604 1123 H PHE 19 HN PHE 19 2.798 4.797 4.797 1124 HA PHE 19 HA PHE 19 1.683 4.091 4.091 1125 1HB PHE 19 2HB PHE 19 1.749 6.772 6.772 1126 2HB PHE 19 1HB PHE 19 1.340 6.530 6.530 1127 HD1 PHE 19 2HD PHE 19 3.239 4.883 4.883 1128 HD2 PHE 19 1HD PHE 19 3.829 7.660 7.660 1129 HE1 PHE 19 2HE PHE 19 5.618 5.057 5.057 1130 HE2 PHE 19 1HE PHE 19 6.210 7.838 7.838 1131 HZ PHE 19 HZ PHE 19 7.108 6.535 6.535 1132 H ASN 20 HN ASN 20 -0.333 3.487 3.487 1133 HA ASN 20 HA ASN 20 -2.416 3.845 3.845 1134 1HB ASN 20 2HB ASN 20 -2.239 2.374 2.374 1135 2HB ASN 20 1HB ASN 20 -3.777 2.574 2.574 1136 1HD2 ASN 20 2HD2 ASN 20 -0.978 -0.031 -0.031 1137 2HD2 ASN 20 1HD2 ASN 20 -0.636 1.096 1.096 1138 H ALA 21 HN ALA 21 -4.106 5.191 5.191 1139 HA ALA 21 HA ALA 21 -4.092 7.538 7.538 1140 1HB ALA 21 1HB ALA 21 -5.868 6.202 6.202 1141 2HB ALA 21 3HB ALA 21 -6.789 7.004 7.004 1142 3HB ALA 21 2HB ALA 21 -5.655 7.929 7.929 1143 HA PRO 22 HA PRO 22 -6.360 8.743 8.743 1144 1HB PRO 22 2HB PRO 22 -7.065 10.337 10.337 1145 2HB PRO 22 1HB PRO 22 -8.142 9.060 9.060 1146 1HG PRO 22 2HG PRO 22 -6.342 9.077 9.077 1147 2HG PRO 22 1HG PRO 22 -8.005 8.481 8.481 1148 1HD PRO 22 2HD PRO 22 -5.780 6.874 6.874 1149 2HD PRO 22 1HD PRO 22 -7.334 6.466 6.466 1150 H TYR 23 HN TYR 23 -5.479 10.905 10.905 1151 HA TYR 23 HA TYR 23 -2.811 11.050 11.050 1152 1HB TYR 23 2HB TYR 23 -3.817 12.371 12.371 1153 2HB TYR 23 1HB TYR 23 -2.185 12.508 12.508 1154 HD1 TYR 23 2HD TYR 23 -1.977 9.579 9.579 1155 HD2 TYR 23 1HD TYR 23 -3.215 11.396 11.396 1156 HE1 TYR 23 2HE TYR 23 -1.320 7.557 7.557 1157 HE2 TYR 23 1HE TYR 23 -2.559 9.375 9.375 1158 HH TYR 23 HH TYR 23 -2.243 6.564 6.564 1159 H ASP 24 HN ASP 24 -4.828 11.798 11.798 1160 HA ASP 24 HA ASP 24 -4.551 14.723 14.723 1161 1HB ASP 24 2HB ASP 24 -6.988 13.074 13.074 1162 2HB ASP 24 1HB ASP 24 -6.900 14.301 14.301 1163 H ASP 25 HN ASP 25 -3.558 12.002 12.002 1164 HA ASP 25 HA ASP 25 -3.391 13.302 13.302 1165 1HB ASP 25 2HB ASP 25 -4.779 10.802 10.802 1166 2HB ASP 25 1HB ASP 25 -3.559 10.617 10.617 1167 H LYS 26 HN LYS 26 -1.387 13.296 13.296 1168 HA LYS 26 HA LYS 26 0.834 12.515 12.515 1169 1HB LYS 26 2HB LYS 26 0.717 12.574 12.574 1170 2HB LYS 26 1HB LYS 26 2.114 12.874 12.874 1171 1HG LYS 26 2HG LYS 26 1.628 15.031 15.031 1172 2HG LYS 26 1HG LYS 26 -0.015 14.680 14.680 1173 1HD LYS 26 2HD LYS 26 -0.409 14.141 14.141 1174 2HD LYS 26 1HD LYS 26 1.025 15.145 15.145 1175 1HE LYS 26 2HE LYS 26 -1.548 15.940 15.940 1176 2HE LYS 26 1HE LYS 26 -0.950 16.514 16.514 1177 1HZ LYS 26 2HZ LYS 26 1.077 17.052 17.052 1178 2HZ LYS 26 1HZ LYS 26 -0.316 17.423 17.423 1179 3HZ LYS 26 3HZ LYS 26 -0.037 18.170 18.170 1180 H HIS 27 HN HIS 27 1.182 10.530 10.530 1181 HA HIS 27 HA HIS 27 0.764 8.236 8.236 1182 1HB HIS 27 2HB HIS 27 0.682 8.577 8.577 1183 2HB HIS 27 1HB HIS 27 1.120 7.004 7.004 1184 HD1 HIS 27 1HD HIS 27 -1.265 8.520 8.520 1185 HD2 HIS 27 2HD HIS 27 -1.460 6.453 6.453 1186 HE1 HIS 27 1HE HIS 27 -3.647 7.702 7.702 1187 H THR 28 HN THR 28 2.373 6.628 6.628 1188 HA THR 28 HA THR 28 5.032 7.335 7.335 1189 HB THR 28 HB THR 28 5.097 6.218 6.218 1190 HG1 THR 28 1HG THR 28 3.670 7.500 7.500 1191 1HG2 THR 28 1HG2 THR 28 6.690 7.892 7.892 1192 2HG2 THR 28 3HG2 THR 28 6.262 8.798 8.798 1193 3HG2 THR 28 2HG2 THR 28 7.056 7.230 7.230 1194 H TYR 29 HN TYR 29 5.178 5.659 5.659 1195 HA TYR 29 HA TYR 29 4.524 2.961 2.961 1196 1HB TYR 29 2HB TYR 29 5.594 4.029 4.029 1197 2HB TYR 29 1HB TYR 29 5.163 2.347 2.347 1198 HD1 TYR 29 1HD TYR 29 3.722 5.784 5.784 1199 HD2 TYR 29 2HD TYR 29 2.991 1.622 1.622 1200 HE1 TYR 29 1HE TYR 29 1.400 6.276 6.276 1201 HE2 TYR 29 2HE TYR 29 0.667 2.102 2.102 1202 HH TYR 29 HH TYR 29 -0.963 4.491 4.491 1203 H HIS 30 HN HIS 30 5.940 1.578 1.578 1204 HA HIS 30 HA HIS 30 8.756 2.337 2.337 1205 1HB HIS 30 2HB HIS 30 7.191 0.255 0.255 1206 2HB HIS 30 1HB HIS 30 8.927 0.497 0.497 1207 HD1 HIS 30 1HD HIS 30 5.967 2.927 2.927 1208 HD2 HIS 30 2HD HIS 30 9.358 1.876 1.876 1209 HE1 HIS 30 1HE HIS 30 6.054 4.485 4.485 1210 H ILE 31 HN ILE 31 10.312 1.320 1.320 1211 HA ILE 31 HA ILE 31 9.565 -0.976 -0.976 1212 HB ILE 31 HB ILE 31 12.063 0.720 0.720 1213 1HG1 ILE 31 2HG1 ILE 31 9.790 0.808 0.808 1214 2HG1 ILE 31 1HG1 ILE 31 9.759 1.804 1.804 1215 1HG2 ILE 31 2HG2 ILE 31 10.940 -1.329 -1.329 1216 2HG2 ILE 31 1HG2 ILE 31 12.343 -0.307 -0.307 1217 3HG2 ILE 31 3HG2 ILE 31 12.391 -1.498 -1.498 1218 1HD1 ILE 31 3HD1 ILE 31 12.243 1.956 1.956 1219 2HD1 ILE 31 2HD1 ILE 31 10.805 2.571 2.571 1220 3HD1 ILE 31 1HD1 ILE 31 11.284 3.233 3.233 1221 H LYS 32 HN LYS 32 10.858 -2.861 -2.861 1222 HA LYS 32 HA LYS 32 12.350 -3.341 -3.341 1223 1HB LYS 32 2HB LYS 32 10.776 -5.107 -5.107 1224 2HB LYS 32 1HB LYS 32 12.033 -5.806 -5.806 1225 1HG LYS 32 2HG LYS 32 10.912 -4.838 -4.838 1226 2HG LYS 32 1HG LYS 32 9.610 -4.282 -4.282 1227 1HD LYS 32 2HD LYS 32 9.206 -6.620 -6.620 1228 2HD LYS 32 1HD LYS 32 10.460 -7.144 -7.144 1229 1HE LYS 32 2HE LYS 32 8.565 -7.447 -7.447 1230 2HE LYS 32 1HE LYS 32 9.041 -5.817 -5.817 1231 1HZ LYS 32 3HZ LYS 32 7.434 -5.485 -5.485 1232 2HZ LYS 32 2HZ LYS 32 6.665 -6.689 -6.689 1233 3HZ LYS 32 1HZ LYS 32 7.011 -5.192 -5.192 1234 H ILE 33 HN ILE 33 14.445 -3.901 -3.901 1235 HA ILE 33 HA ILE 33 15.726 -4.611 -4.611 1236 HB ILE 33 HB ILE 33 16.898 -2.596 -2.596 1237 1HG1 ILE 33 2HG1 ILE 33 15.926 -1.982 -1.982 1238 2HG1 ILE 33 1HG1 ILE 33 14.833 -1.897 -1.897 1239 1HG2 ILE 33 3HG2 ILE 33 17.802 -3.731 -3.731 1240 2HG2 ILE 33 2HG2 ILE 33 18.440 -2.220 -2.220 1241 3HG2 ILE 33 1HG2 ILE 33 18.654 -3.723 -3.723 1242 1HD1 ILE 33 3HD1 ILE 33 17.410 -0.463 -0.463 1243 2HD1 ILE 33 2HD1 ILE 33 16.191 0.199 0.199 1244 3HD1 ILE 33 1HD1 ILE 33 15.813 -0.037 -0.037 1245 H THR 34 HN THR 34 17.740 -5.735 -5.735 1246 HA THR 34 HA THR 34 18.547 -6.582 -6.582 1247 HB THR 34 HB THR 34 17.386 -8.530 -8.530 1248 HG1 THR 34 1HG THR 34 15.716 -8.167 -8.167 1249 1HG2 THR 34 2HG2 THR 34 18.894 -9.094 -9.094 1250 2HG2 THR 34 1HG2 THR 34 17.891 -10.270 -10.270 1251 3HG2 THR 34 3HG2 THR 34 19.320 -9.601 -9.601 1252 H ASN 35 HN ASN 35 20.502 -7.843 -7.843 1253 HA ASN 35 HA ASN 35 22.135 -7.318 -7.318 1254 1HB ASN 35 2HB ASN 35 22.916 -6.180 -6.180 1255 2HB ASN 35 1HB ASN 35 22.987 -7.721 -7.721 1256 1HD2 ASN 35 2HD2 ASN 35 25.763 -6.919 -6.919 1257 2HD2 ASN 35 1HD2 ASN 35 24.176 -6.245 -6.245 1258 H ALA 36 HN ALA 36 22.440 -9.046 -9.046 1259 HA ALA 36 HA ALA 36 22.282 -11.716 -11.716 1260 1HB ALA 36 2HB ALA 36 21.099 -10.987 -10.987 1261 2HB ALA 36 1HB ALA 36 22.687 -11.084 -11.084 1262 3HB ALA 36 3HB ALA 36 21.969 -12.521 -12.521 1263 H GLY 37 HN GLY 37 24.634 -9.784 -9.784 1264 1HA GLY 37 2HA GLY 37 26.706 -11.566 -11.566 1265 2HA GLY 37 1HA GLY 37 26.932 -9.846 -9.846 1266 H GLY 38 HN GLY 38 28.875 -11.083 -11.083 1267 1HA GLY 38 2HA GLY 38 28.162 -11.693 -11.693 1268 2HA GLY 38 1HA GLY 38 29.589 -12.304 -12.304 1269 H ARG 39 HN ARG 39 28.758 -9.017 -9.017 1270 HA ARG 39 HA ARG 39 30.537 -8.053 -8.053 1271 1HB ARG 39 2HB ARG 39 30.984 -7.637 -7.637 1272 2HB ARG 39 1HB ARG 39 31.708 -6.603 -6.603 1273 1HG ARG 39 2HG ARG 39 33.300 -8.088 -8.088 1274 2HG ARG 39 1HG ARG 39 32.150 -9.425 -9.425 1275 1HD ARG 39 2HD ARG 39 32.618 -8.391 -8.391 1276 2HD ARG 39 1HD ARG 39 34.059 -9.059 -9.059 1277 HE ARG 39 HE ARG 39 31.831 -10.516 -10.516 1278 1HH1 ARG 39 1HH2 ARG 39 34.241 -10.494 -10.494 1279 2HH1 ARG 39 2HH2 ARG 39 34.216 -12.212 -12.212 1280 1HH2 ARG 39 1HH1 ARG 39 31.789 -12.780 -12.780 1281 2HH2 ARG 39 2HH1 ARG 39 32.822 -13.512 -13.512 1282 H ARG 40 HN ARG 40 30.483 -5.669 -5.669 1283 HA ARG 40 HA ARG 40 27.822 -4.719 -4.719 1284 1HB ARG 40 2HB ARG 40 30.477 -3.632 -3.632 1285 2HB ARG 40 1HB ARG 40 29.234 -2.449 -2.449 1286 1HG ARG 40 2HG ARG 40 27.955 -2.996 -2.996 1287 2HG ARG 40 1HG ARG 40 28.569 -4.649 -4.649 1288 1HD ARG 40 2HD ARG 40 30.217 -2.215 -2.215 1289 2HD ARG 40 1HD ARG 40 29.330 -3.152 -3.152 1290 HE ARG 40 HE ARG 40 31.135 -4.703 -4.703 1291 1HH1 ARG 40 1HH2 ARG 40 30.767 -2.802 -2.802 1292 2HH1 ARG 40 2HH2 ARG 40 32.101 -3.548 -3.548 1293 1HH2 ARG 40 1HH1 ARG 40 32.895 -5.690 -5.690 1294 2HH2 ARG 40 2HH1 ARG 40 33.312 -5.189 -5.189 1295 H ILE 41 HN ILE 41 27.147 -2.648 -2.648 1296 HA ILE 41 HA ILE 41 28.460 -2.043 -2.043 1297 HB ILE 41 HB ILE 41 26.162 -2.183 -2.183 1298 1HG1 ILE 41 2HG1 ILE 41 25.647 -4.318 -4.318 1299 2HG1 ILE 41 1HG1 ILE 41 25.061 -2.675 -2.675 1300 1HG2 ILE 41 2HG2 ILE 41 28.065 -3.608 -3.608 1301 2HG2 ILE 41 1HG2 ILE 41 27.615 -4.718 -4.718 1302 3HG2 ILE 41 3HG2 ILE 41 26.548 -4.501 -4.501 1303 1HD1 ILE 41 2HD1 ILE 41 24.434 -4.276 -4.276 1304 2HD1 ILE 41 1HD1 ILE 41 23.439 -4.322 -4.322 1305 3HD1 ILE 41 3HD1 ILE 41 23.652 -2.805 -2.805 1306 H GLY 42 HN GLY 42 28.077 0.012 0.012 1307 1HA GLY 42 2HA GLY 42 26.518 1.733 1.733 1308 2HA GLY 42 1HA GLY 42 27.814 2.273 2.273 1309 H TRP 43 HN TRP 43 24.449 1.730 1.730 1310 HA TRP 43 HA TRP 43 24.021 2.248 2.248 1311 1HB TRP 43 2HB TRP 43 21.717 1.463 1.463 1312 2HB TRP 43 1HB TRP 43 22.909 0.252 0.252 1313 HD1 TRP 43 1HD TRP 43 23.208 -0.233 -0.233 1314 HE1 TRP 43 1HE TRP 43 21.612 0.144 0.144 1315 HE3 TRP 43 3HE TRP 43 19.923 3.005 3.005 1316 HZ2 TRP 43 2HZ TRP 43 19.271 1.618 1.618 1317 HZ3 TRP 43 3HZ TRP 43 18.032 3.852 3.852 1318 HH2 TRP 43 2HH TRP 43 17.713 3.170 3.170 1319 H ALA 44 HN ALA 44 22.588 3.841 3.841 1320 HA ALA 44 HA ALA 44 21.545 5.734 5.734 1321 1HB ALA 44 2HB ALA 44 23.968 6.310 6.310 1322 2HB ALA 44 1HB ALA 44 23.055 6.933 6.933 1323 3HB ALA 44 3HB ALA 44 22.753 7.563 7.563 1324 H ILE 45 HN ILE 45 19.615 6.532 6.532 1325 HA ILE 45 HA ILE 45 18.594 5.743 5.743 1326 HB ILE 45 HB ILE 45 17.000 7.102 7.102 1327 1HG1 ILE 45 2HG1 ILE 45 18.192 5.134 5.134 1328 2HG1 ILE 45 1HG1 ILE 45 16.443 4.937 4.937 1329 1HG2 ILE 45 2HG2 ILE 45 16.448 5.711 5.711 1330 2HG2 ILE 45 1HG2 ILE 45 15.368 5.313 5.313 1331 3HG2 ILE 45 3HG2 ILE 45 15.548 6.989 6.989 1332 1HD1 ILE 45 3HD1 ILE 45 18.040 3.877 3.877 1333 2HD1 ILE 45 2HD1 ILE 45 18.030 3.000 3.000 1334 3HD1 ILE 45 1HD1 ILE 45 16.516 3.303 3.303 1335 H LYS 46 HN LYS 46 17.544 7.192 7.192 1336 HA LYS 46 HA LYS 46 17.986 10.049 10.049 1337 1HB LYS 46 2HB LYS 46 18.790 8.597 8.597 1338 2HB LYS 46 1HB LYS 46 18.850 10.338 10.338 1339 1HG LYS 46 2HG LYS 46 20.297 9.289 9.289 1340 2HG LYS 46 1HG LYS 46 20.761 8.309 8.309 1341 1HD LYS 46 2HD LYS 46 20.801 11.326 11.326 1342 2HD LYS 46 1HD LYS 46 22.211 10.279 10.279 1343 1HE LYS 46 2HE LYS 46 21.407 9.314 9.314 1344 2HE LYS 46 1HE LYS 46 20.563 10.857 10.857 1345 1HZ LYS 46 2HZ LYS 46 23.061 11.568 11.568 1346 2HZ LYS 46 1HZ LYS 46 23.361 10.278 10.278 1347 3HZ LYS 46 3HZ LYS 46 22.479 11.621 11.621 1348 H THR 47 HN THR 47 16.408 11.358 11.358 1349 HA THR 47 HA THR 47 14.293 10.094 10.094 1350 HB THR 47 HB THR 47 12.617 11.306 11.306 1351 HG1 THR 47 1HG THR 47 13.327 12.567 12.567 1352 1HG2 THR 47 1HG2 THR 47 14.560 9.762 9.762 1353 2HG2 THR 47 3HG2 THR 47 13.218 10.588 10.588 1354 3HG2 THR 47 2HG2 THR 47 12.898 9.374 9.374 1355 H THR 48 HN THR 48 13.219 11.414 11.414 1356 HA THR 48 HA THR 48 14.777 13.248 13.248 1357 HB THR 48 HB THR 48 12.499 13.935 13.935 1358 HG1 THR 48 1HG THR 48 11.601 11.625 11.625 1359 1HG2 THR 48 2HG2 THR 48 14.039 11.549 11.549 1360 2HG2 THR 48 1HG2 THR 48 12.328 11.204 11.204 1361 3HG2 THR 48 3HG2 THR 48 13.124 12.463 12.463 1362 H ASN 49 HN ASN 49 12.295 13.772 13.772 1363 HA ASN 49 HA ASN 49 13.170 16.578 16.578 1364 1HB ASN 49 2HB ASN 49 10.341 15.564 15.564 1365 2HB ASN 49 1HB ASN 49 10.871 17.232 17.232 1366 1HD2 ASN 49 2HD2 ASN 49 9.410 16.497 16.497 1367 2HD2 ASN 49 1HD2 ASN 49 8.900 16.066 16.066 1368 H MET 50 HN MET 50 14.098 16.949 16.949 1369 HA MET 50 HA MET 50 13.582 15.180 15.180 1370 1HB MET 50 2HB MET 50 15.727 17.012 17.012 1371 2HB MET 50 1HB MET 50 15.374 17.040 17.040 1372 1HG MET 50 2HG MET 50 15.593 14.363 14.363 1373 2HG MET 50 1HG MET 50 17.075 15.316 15.316 1374 1HE MET 50 3HE MET 50 15.472 12.760 12.760 1375 2HE MET 50 2HE MET 50 17.041 12.500 12.500 1376 3HE MET 50 1HE MET 50 15.604 12.728 12.728 1377 H ARG 51 HN ARG 51 11.727 17.437 17.437 1378 HA ARG 51 HA ARG 51 11.436 18.858 18.858 1379 1HB ARG 51 2HB ARG 51 10.015 20.455 20.455 1380 2HB ARG 51 1HB ARG 51 11.745 20.471 20.471 1381 1HG ARG 51 2HG ARG 51 11.492 19.300 19.300 1382 2HG ARG 51 1HG ARG 51 9.825 18.862 18.862 1383 1HD ARG 51 2HD ARG 51 9.168 20.662 20.662 1384 2HD ARG 51 1HD ARG 51 9.911 21.652 21.652 1385 HE ARG 51 HE ARG 51 11.737 20.756 20.756 1386 1HH1 ARG 51 1HH2 ARG 51 9.483 23.226 23.226 1387 2HH1 ARG 51 2HH2 ARG 51 10.188 24.448 24.448 1388 1HH2 ARG 51 1HH1 ARG 51 12.674 22.359 22.359 1389 2HH2 ARG 51 2HH1 ARG 51 12.001 23.956 23.956 1390 H ARG 52 HN ARG 52 9.835 16.884 16.884 1391 HA ARG 52 HA ARG 52 7.348 16.944 16.944 1392 1HB ARG 52 2HB ARG 52 8.018 16.487 16.487 1393 2HB ARG 52 1HB ARG 52 6.806 15.389 15.389 1394 1HG ARG 52 2HG ARG 52 5.236 16.963 16.963 1395 2HG ARG 52 1HG ARG 52 6.306 18.146 18.146 1396 1HD ARG 52 2HD ARG 52 7.250 17.792 17.792 1397 2HD ARG 52 1HD ARG 52 5.496 17.913 17.913 1398 HE ARG 52 HE ARG 52 7.296 20.022 20.022 1399 1HH1 ARG 52 1HH2 ARG 52 4.149 18.805 18.805 1400 2HH1 ARG 52 2HH2 ARG 52 3.518 20.362 20.362 1401 1HH2 ARG 52 1HH1 ARG 52 6.477 22.077 22.077 1402 2HH2 ARG 52 2HH1 ARG 52 4.843 22.223 22.223 1403 H LEU 53 HN LEU 53 10.053 14.949 14.949 1404 HA LEU 53 HA LEU 53 8.807 12.732 12.732 1405 1HB LEU 53 2HB LEU 53 10.709 12.495 12.495 1406 2HB LEU 53 1HB LEU 53 10.074 11.156 11.156 1407 HG LEU 53 HG LEU 53 8.286 13.032 13.032 1408 1HD1 LEU 53 2HD1 LEU 53 10.131 11.617 11.617 1409 2HD1 LEU 53 1HD1 LEU 53 8.924 10.349 10.349 1410 3HD1 LEU 53 3HD1 LEU 53 8.498 11.840 11.840 1411 1HD2 LEU 53 1HD2 LEU 53 7.831 10.943 10.943 1412 2HD2 LEU 53 3HD2 LEU 53 6.646 11.833 11.833 1413 3HD2 LEU 53 2HD2 LEU 53 7.354 10.348 10.348 1414 H SER 54 HN SER 54 10.018 11.773 11.773 1415 HA SER 54 HA SER 54 12.863 12.339 12.339 1416 1HB SER 54 2HB SER 54 10.842 13.285 13.285 1417 2HB SER 54 1HB SER 54 12.544 13.050 13.050 1418 HG SER 54 HG SER 54 13.100 14.674 14.674 1419 H VAL 55 HN VAL 55 13.773 10.438 10.438 1420 HA VAL 55 HA VAL 55 12.260 8.343 8.343 1421 HB VAL 55 HB VAL 55 15.000 7.959 7.959 1422 1HG1 VAL 55 3HG1 VAL 55 13.940 6.178 6.178 1423 2HG1 VAL 55 2HG1 VAL 55 12.628 6.111 6.111 1424 3HG1 VAL 55 1HG1 VAL 55 14.270 5.689 5.689 1425 1HG2 VAL 55 2HG2 VAL 55 12.479 8.474 8.474 1426 2HG2 VAL 55 1HG2 VAL 55 14.149 8.772 8.772 1427 3HG2 VAL 55 3HG2 VAL 55 13.481 7.143 7.143 1428 H ASP 56 HN ASP 56 13.175 7.112 7.112 1429 HA ASP 56 HA ASP 56 15.489 8.247 8.247 1430 1HB ASP 56 2HB ASP 56 12.693 8.292 8.292 1431 2HB ASP 56 1HB ASP 56 14.007 8.015 8.015 1432 HA PRO 57 HA PRO 57 17.066 7.730 7.730 1433 1HB PRO 57 2HB PRO 57 19.299 6.253 6.253 1434 2HB PRO 57 1HB PRO 57 18.318 6.293 6.293 1435 1HG PRO 57 2HG PRO 57 18.401 4.227 4.227 1436 2HG PRO 57 1HG PRO 57 18.355 4.002 4.002 1437 1HD PRO 57 2HD PRO 57 16.154 3.803 3.803 1438 2HD PRO 57 1HD PRO 57 16.081 4.275 4.275 1439 HA PRO 58 HA PRO 58 17.784 8.388 8.388 1440 1HB PRO 58 2HB PRO 58 19.717 10.300 10.300 1441 2HB PRO 58 1HB PRO 58 18.003 10.623 10.623 1442 1HG PRO 58 2HG PRO 58 20.195 10.142 10.142 1443 2HG PRO 58 1HG PRO 58 18.887 11.339 11.339 1444 1HD PRO 58 2HD PRO 58 18.797 9.046 9.046 1445 2HD PRO 58 1HD PRO 58 17.338 9.802 9.802 1446 H CYS 59 HN CYS 59 20.163 7.229 7.229 1447 HA CYS 59 HA CYS 59 21.459 5.659 5.659 1448 1HB CYS 59 2HB CYS 59 23.746 6.824 6.824 1449 2HB CYS 59 1HB CYS 59 22.583 7.533 7.533 1450 HG CYS 59 HG CYS 59 23.866 9.141 9.141 1451 H GLY 60 HN GLY 60 22.368 3.973 3.973 1452 1HA GLY 60 2HA GLY 60 23.498 4.339 4.339 1453 2HA GLY 60 1HA GLY 60 22.109 3.269 3.269 1454 H VAL 61 HN VAL 61 24.071 1.981 1.981 1455 HA VAL 61 HA VAL 61 25.459 0.637 0.637 1456 HB VAL 61 HB VAL 61 26.950 1.768 1.768 1457 1HG1 VAL 61 2HG1 VAL 61 25.269 0.905 0.905 1458 2HG1 VAL 61 1HG1 VAL 61 26.502 -0.352 -0.352 1459 3HG1 VAL 61 3HG1 VAL 61 26.950 1.340 1.340 1460 1HG2 VAL 61 1HG2 VAL 61 27.453 -0.388 -0.388 1461 2HG2 VAL 61 3HG2 VAL 61 28.553 0.096 0.096 1462 3HG2 VAL 61 2HG2 VAL 61 27.374 -1.184 -1.184 1463 H LEU 62 HN LEU 62 24.480 -1.198 -1.198 1464 HA LEU 62 HA LEU 62 22.881 -2.655 -2.655 1465 1HB LEU 62 2HB LEU 62 23.173 -2.529 -2.529 1466 2HB LEU 62 1HB LEU 62 23.274 -4.199 -4.199 1467 HG LEU 62 HG LEU 62 21.051 -2.651 -2.651 1468 1HD1 LEU 62 3HD1 LEU 62 21.510 -2.315 -2.315 1469 2HD1 LEU 62 2HD1 LEU 62 20.309 -3.603 -3.603 1470 3HD1 LEU 62 1HD1 LEU 62 19.989 -2.050 -2.050 1471 1HD2 LEU 62 3HD2 LEU 62 21.642 -5.183 -5.183 1472 2HD2 LEU 62 2HD2 LEU 62 19.960 -4.682 -4.682 1473 3HD2 LEU 62 1HD2 LEU 62 20.865 -5.263 -5.263 1474 H ASP 63 HN ASP 63 23.261 -4.705 -4.705 1475 HA ASP 63 HA ASP 63 26.078 -5.527 -5.527 1476 1HB ASP 63 2HB ASP 63 23.929 -5.559 -5.559 1477 2HB ASP 63 1HB ASP 63 24.853 -7.056 -7.056 1478 HA PRO 64 HA PRO 64 25.562 -9.397 -9.397 1479 1HB PRO 64 2HB PRO 64 26.092 -10.913 -10.913 1480 2HB PRO 64 1HB PRO 64 26.922 -10.984 -10.984 1481 1HG PRO 64 2HG PRO 64 28.049 -9.778 -9.778 1482 2HG PRO 64 1HG PRO 64 28.220 -9.117 -9.117 1483 1HD PRO 64 2HD PRO 64 26.463 -8.207 -8.207 1484 2HD PRO 64 1HD PRO 64 27.353 -7.246 -7.246 1485 H LYS 65 HN LYS 65 23.734 -10.346 -10.346 1486 HA LYS 65 HA LYS 65 21.567 -11.056 -11.056 1487 1HB LYS 65 2HB LYS 65 21.176 -13.004 -13.004 1488 2HB LYS 65 1HB LYS 65 22.872 -13.022 -13.022 1489 1HG LYS 65 2HG LYS 65 22.198 -11.794 -11.794 1490 2HG LYS 65 1HG LYS 65 22.027 -13.542 -13.542 1491 1HD LYS 65 2HD LYS 65 24.505 -12.567 -12.567 1492 2HD LYS 65 1HD LYS 65 24.359 -12.170 -12.170 1493 1HE LYS 65 2HE LYS 65 23.572 -14.908 -14.908 1494 2HE LYS 65 1HE LYS 65 25.273 -14.540 -14.540 1495 1HZ LYS 65 1HZ LYS 65 23.833 -14.094 -14.094 1496 2HZ LYS 65 3HZ LYS 65 24.847 -15.410 -15.410 1497 3HZ LYS 65 2HZ LYS 65 25.482 -13.843 -13.843 1498 H GLU 66 HN GLU 66 21.953 -8.549 -8.549 1499 HA GLU 66 HA GLU 66 20.030 -8.704 -8.704 1500 1HB GLU 66 2HB GLU 66 21.651 -7.403 -7.403 1501 2HB GLU 66 1HB GLU 66 22.306 -6.960 -6.960 1502 1HG GLU 66 2HG GLU 66 21.589 -4.969 -4.969 1503 2HG GLU 66 1HG GLU 66 20.407 -5.341 -5.341 1504 H LYS 67 HN LYS 67 18.044 -7.771 -7.771 1505 HA LYS 67 HA LYS 67 17.308 -6.609 -6.609 1506 1HB LYS 67 2HB LYS 67 15.485 -7.871 -7.871 1507 2HB LYS 67 1HB LYS 67 15.041 -7.349 -7.349 1508 1HG LYS 67 2HG LYS 67 15.373 -9.473 -9.473 1509 2HG LYS 67 1HG LYS 67 17.093 -9.086 -9.086 1510 1HD LYS 67 2HD LYS 67 17.263 -9.949 -9.949 1511 2HD LYS 67 1HD LYS 67 15.510 -10.054 -10.054 1512 1HE LYS 67 2HE LYS 67 16.011 -12.242 -12.242 1513 2HE LYS 67 1HE LYS 67 15.736 -11.642 -11.642 1514 1HZ LYS 67 3HZ LYS 67 18.143 -11.333 -11.333 1515 2HZ LYS 67 2HZ LYS 67 18.374 -11.989 -11.989 1516 3HZ LYS 67 1HZ LYS 67 17.741 -12.949 -12.949 1517 H VAL 68 HN VAL 68 17.148 -4.476 -4.476 1518 HA VAL 68 HA VAL 68 16.343 -3.120 -3.120 1519 HB VAL 68 HB VAL 68 17.206 -1.061 -1.061 1520 1HG1 VAL 68 2HG1 VAL 68 18.802 -3.407 -3.407 1521 2HG1 VAL 68 1HG1 VAL 68 19.667 -2.223 -2.223 1522 3HG1 VAL 68 3HG1 VAL 68 18.936 -1.737 -1.737 1523 1HG2 VAL 68 2HG2 VAL 68 16.928 -2.411 -2.411 1524 2HG2 VAL 68 1HG2 VAL 68 17.855 -0.925 -0.925 1525 3HG2 VAL 68 3HG2 VAL 68 18.670 -2.488 -2.488 1526 H LEU 69 HN LEU 69 14.826 -1.373 -1.373 1527 HA LEU 69 HA LEU 69 13.003 -1.505 -1.505 1528 1HB LEU 69 2HB LEU 69 12.273 -2.656 -2.656 1529 2HB LEU 69 1HB LEU 69 12.007 -1.018 -1.018 1530 HG LEU 69 HG LEU 69 10.556 -0.770 -0.770 1531 1HD1 LEU 69 3HD1 LEU 69 11.436 -3.202 -3.202 1532 2HD1 LEU 69 2HD1 LEU 69 10.016 -3.664 -3.664 1533 3HD1 LEU 69 1HD1 LEU 69 9.840 -2.626 -2.626 1534 1HD2 LEU 69 3HD2 LEU 69 9.683 -2.428 -2.428 1535 2HD2 LEU 69 2HD2 LEU 69 9.666 -0.667 -0.667 1536 3HD2 LEU 69 1HD2 LEU 69 8.601 -1.627 -1.627 1537 H MET 70 HN MET 70 12.844 0.389 0.389 1538 HA MET 70 HA MET 70 13.253 2.842 2.842 1539 1HB MET 70 2HB MET 70 13.657 3.778 3.778 1540 2HB MET 70 1HB MET 70 14.947 3.005 3.005 1541 1HG MET 70 2HG MET 70 14.649 0.956 0.956 1542 2HG MET 70 1HG MET 70 13.216 1.589 1.589 1543 1HE MET 70 2HE MET 70 13.184 2.663 2.663 1544 2HE MET 70 1HE MET 70 14.591 2.692 2.692 1545 3HE MET 70 3HE MET 70 14.041 1.166 1.166 1546 H ALA 71 HN ALA 71 12.104 4.760 4.760 1547 HA ALA 71 HA ALA 71 9.416 4.016 4.016 1548 1HB ALA 71 2HB ALA 71 9.491 4.730 4.730 1549 2HB ALA 71 1HB ALA 71 10.093 6.301 6.301 1550 3HB ALA 71 3HB ALA 71 8.483 5.763 5.763 1551 H VAL 72 HN VAL 72 8.285 5.575 5.575 1552 HA VAL 72 HA VAL 72 10.000 7.585 7.585 1553 HB VAL 72 HB VAL 72 7.993 5.855 5.855 1554 1HG1 VAL 72 1HG1 VAL 72 9.910 7.995 7.995 1555 2HG1 VAL 72 3HG1 VAL 72 9.232 6.815 6.815 1556 3HG1 VAL 72 2HG1 VAL 72 8.166 7.914 7.914 1557 1HG2 VAL 72 1HG2 VAL 72 10.142 4.734 4.734 1558 2HG2 VAL 72 3HG2 VAL 72 9.724 4.535 4.535 1559 3HG2 VAL 72 2HG2 VAL 72 10.965 5.695 5.695 1560 H SER 73 HN SER 73 9.144 9.442 9.442 1561 HA SER 73 HA SER 73 6.288 9.731 9.731 1562 1HB SER 73 2HB SER 73 7.557 12.248 12.248 1563 2HB SER 73 1HB SER 73 6.974 11.188 11.188 1564 HG SER 73 HG SER 73 9.258 11.758 11.758 1565 H CYS 74 HN CYS 74 4.913 10.490 10.490 1566 HA CYS 74 HA CYS 74 5.947 12.154 12.154 1567 1HB CYS 74 2HB CYS 74 4.089 10.983 10.983 1568 2HB CYS 74 1HB CYS 74 5.608 10.136 10.136 1569 HG CYS 74 HG CYS 74 3.912 9.143 9.143 1570 H ASP 75 HN ASP 75 5.183 14.086 14.086 1571 HA ASP 75 HA ASP 75 2.850 14.641 14.641 1572 1HB ASP 75 2HB ASP 75 4.862 16.136 16.136 1573 2HB ASP 75 1HB ASP 75 3.290 16.776 16.776 1574 H THR 76 HN THR 76 0.811 15.495 15.495 1575 HA THR 76 HA THR 76 -0.430 14.035 14.035 1576 HB THR 76 HB THR 76 -2.411 15.052 15.052 1577 HG1 THR 76 1HG THR 76 -0.945 17.282 17.282 1578 1HG2 THR 76 2HG2 THR 76 -1.165 13.998 13.998 1579 2HG2 THR 76 1HG2 THR 76 -0.857 15.654 15.654 1580 3HG2 THR 76 3HG2 THR 76 -2.514 15.074 15.074 1581 H PHE 77 HN PHE 77 -1.348 14.769 14.769 1582 HA PHE 77 HA PHE 77 -0.570 17.391 17.391 1583 1HB PHE 77 2HB PHE 77 0.661 16.635 16.635 1584 2HB PHE 77 1HB PHE 77 1.320 15.768 15.768 1585 HD1 PHE 77 2HD PHE 77 0.014 13.449 13.449 1586 HD2 PHE 77 1HD PHE 77 0.351 15.428 15.428 1587 HE1 PHE 77 2HE PHE 77 -0.380 11.314 11.314 1588 HE2 PHE 77 1HE PHE 77 -0.044 13.296 13.296 1589 HZ PHE 77 HZ PHE 77 -0.411 11.236 11.236 1590 H ASN 78 HN ASN 78 -1.109 16.880 16.880 1591 HA ASN 78 HA ASN 78 -3.873 15.902 15.902 1592 1HB ASN 78 2HB ASN 78 -3.241 18.618 18.618 1593 2HB ASN 78 1HB ASN 78 -3.577 18.266 18.266 1594 1HD2 ASN 78 2HD2 ASN 78 -6.878 19.000 19.000 1595 2HD2 ASN 78 1HD2 ASN 78 -5.430 19.588 19.588 1596 H ALA 79 HN ALA 79 -3.314 14.125 14.125 1597 HA ALA 79 HA ALA 79 -1.669 14.225 14.225 1598 1HB ALA 79 3HB ALA 79 -3.694 12.159 12.159 1599 2HB ALA 79 2HB ALA 79 -2.500 11.952 11.952 1600 3HB ALA 79 1HB ALA 79 -1.973 12.165 12.165 1601 H ALA 80 HN ALA 80 -4.959 15.047 15.047 1602 HA ALA 80 HA ALA 80 -6.272 14.476 14.476 1603 1HB ALA 80 3HB ALA 80 -6.748 16.107 16.107 1604 2HB ALA 80 2HB ALA 80 -6.747 17.230 17.230 1605 3HB ALA 80 1HB ALA 80 -7.839 15.843 15.843 1606 H THR 81 HN THR 81 -3.709 16.793 16.793 1607 HA THR 81 HA THR 81 -3.636 17.230 17.230 1608 HB THR 81 HB THR 81 -3.364 19.647 19.647 1609 HG1 THR 81 1HG THR 81 -2.881 20.368 20.368 1610 1HG2 THR 81 3HG2 THR 81 -5.673 18.562 18.562 1611 2HG2 THR 81 2HG2 THR 81 -5.841 18.960 18.960 1612 3HG2 THR 81 1HG2 THR 81 -5.578 20.243 20.243 1613 H GLU 82 HN GLU 82 -1.904 15.569 15.569 1614 HA GLU 82 HA GLU 82 0.619 16.937 16.937 1615 1HB GLU 82 2HB GLU 82 -0.055 15.400 15.400 1616 2HB GLU 82 1HB GLU 82 1.553 15.967 15.967 1617 1HG GLU 82 2HG GLU 82 0.635 18.292 18.292 1618 2HG GLU 82 1HG GLU 82 -0.863 17.634 17.634 1619 H ASP 83 HN ASP 83 2.437 15.429 15.429 1620 HA ASP 83 HA ASP 83 1.632 13.075 13.075 1621 1HB ASP 83 2HB ASP 83 4.105 12.838 12.838 1622 2HB ASP 83 1HB ASP 83 3.415 14.363 14.363 1623 H LEU 84 HN LEU 84 2.397 10.944 10.944 1624 HA LEU 84 HA LEU 84 3.203 10.468 10.468 1625 1HB LEU 84 2HB LEU 84 1.347 8.631 8.631 1626 2HB LEU 84 1HB LEU 84 1.685 8.681 8.681 1627 HG LEU 84 HG LEU 84 0.248 10.893 10.893 1628 1HD1 LEU 84 3HD1 LEU 84 -0.716 8.302 8.302 1629 2HD1 LEU 84 2HD1 LEU 84 -1.658 9.709 9.709 1630 3HD1 LEU 84 1HD1 LEU 84 -1.402 9.379 9.379 1631 1HD2 LEU 84 3HD2 LEU 84 0.578 10.219 10.219 1632 2HD2 LEU 84 2HD2 LEU 84 1.259 11.605 11.605 1633 3HD2 LEU 84 1HD2 LEU 84 -0.486 11.477 11.477 1634 H ASN 85 HN ASN 85 4.937 10.627 10.627 1635 HA ASN 85 HA ASN 85 6.063 7.941 7.941 1636 1HB ASN 85 2HB ASN 85 4.801 9.069 9.069 1637 2HB ASN 85 1HB ASN 85 6.503 8.730 8.730 1638 1HD2 ASN 85 2HD2 ASN 85 4.464 5.737 5.737 1639 2HD2 ASN 85 1HD2 ASN 85 4.457 7.390 7.390 1640 H ASN 86 HN ASN 86 6.733 10.545 10.545 1641 HA ASN 86 HA ASN 86 9.324 11.022 11.022 1642 1HB ASN 86 2HB ASN 86 7.324 12.838 12.838 1643 2HB ASN 86 1HB ASN 86 8.976 13.171 13.171 1644 1HD2 ASN 86 2HD2 ASN 86 8.127 13.387 13.387 1645 2HD2 ASN 86 1HD2 ASN 86 7.360 12.198 12.198 1646 H ASP 87 HN ASP 87 7.707 10.807 10.807 1647 HA ASP 87 HA ASP 87 9.957 11.002 11.002 1648 1HB ASP 87 2HB ASP 87 7.269 9.715 9.715 1649 2HB ASP 87 1HB ASP 87 8.499 9.503 9.503 1650 H ARG 88 HN ARG 88 11.470 9.587 9.587 1651 HA ARG 88 HA ARG 88 11.272 6.761 6.761 1652 1HB ARG 88 2HB ARG 88 13.306 6.611 6.611 1653 2HB ARG 88 1HB ARG 88 11.865 7.237 7.237 1654 1HG ARG 88 2HG ARG 88 12.749 9.539 9.539 1655 2HG ARG 88 1HG ARG 88 14.246 8.804 8.804 1656 1HD ARG 88 2HD ARG 88 14.958 8.659 8.659 1657 2HD ARG 88 1HD ARG 88 13.621 7.565 7.565 1658 HE ARG 88 HE ARG 88 12.599 9.263 9.263 1659 1HH1 ARG 88 1HH2 ARG 88 15.023 10.618 10.618 1660 2HH1 ARG 88 2HH2 ARG 88 14.844 12.226 12.226 1661 1HH2 ARG 88 1HH1 ARG 88 12.356 11.376 11.376 1662 2HH2 ARG 88 2HH1 ARG 88 13.327 12.658 12.658 1663 H ILE 89 HN ILE 89 12.479 5.739 5.739 1664 HA ILE 89 HA ILE 89 14.443 7.346 7.346 1665 HB ILE 89 HB ILE 89 12.946 4.876 4.876 1666 1HG1 ILE 89 2HG1 ILE 89 12.645 7.736 7.736 1667 2HG1 ILE 89 1HG1 ILE 89 11.580 6.968 6.968 1668 1HG2 ILE 89 3HG2 ILE 89 15.188 5.085 5.085 1669 2HG2 ILE 89 2HG2 ILE 89 14.761 6.694 6.694 1670 3HG2 ILE 89 1HG2 ILE 89 13.902 5.278 5.278 1671 1HD1 ILE 89 1HD1 ILE 89 11.985 5.671 5.671 1672 2HD1 ILE 89 3HD1 ILE 89 10.934 7.081 7.081 1673 3HD1 ILE 89 2HD1 ILE 89 10.586 5.637 5.637 1674 H THR 90 HN THR 90 16.516 6.870 6.870 1675 HA THR 90 HA THR 90 17.237 4.249 4.249 1676 HB THR 90 HB THR 90 19.048 6.649 6.649 1677 HG1 THR 90 1HG THR 90 17.242 7.310 7.310 1678 1HG2 THR 90 2HG2 THR 90 19.893 4.306 4.306 1679 2HG2 THR 90 1HG2 THR 90 19.044 4.572 4.572 1680 3HG2 THR 90 3HG2 THR 90 20.335 5.669 5.669 1681 H ILE 91 HN ILE 91 18.628 2.889 2.889 1682 HA ILE 91 HA ILE 91 19.559 3.725 3.725 1683 HB ILE 91 HB ILE 91 18.822 0.925 0.925 1684 1HG1 ILE 91 2HG1 ILE 91 16.965 1.371 1.371 1685 2HG1 ILE 91 1HG1 ILE 91 17.292 3.070 3.070 1686 1HG2 ILE 91 2HG2 ILE 91 20.310 1.956 1.956 1687 2HG2 ILE 91 1HG2 ILE 91 18.822 1.206 1.206 1688 3HG2 ILE 91 3HG2 ILE 91 19.946 0.281 0.281 1689 1HD1 ILE 91 2HD1 ILE 91 17.024 1.988 1.988 1690 2HD1 ILE 91 1HD1 ILE 91 15.821 1.117 1.117 1691 3HD1 ILE 91 3HD1 ILE 91 15.789 2.879 2.879 1692 H GLU 92 HN GLU 92 21.690 3.744 3.744 1693 HA GLU 92 HA GLU 92 23.353 2.043 2.043 1694 1HB GLU 92 2HB GLU 92 24.161 4.752 4.752 1695 2HB GLU 92 1HB GLU 92 25.014 3.768 3.768 1696 1HG GLU 92 2HG GLU 92 23.969 4.878 4.878 1697 2HG GLU 92 1HG GLU 92 22.455 4.157 4.157 1698 H TRP 93 HN TRP 93 24.514 0.591 0.591 1699 HA TRP 93 HA TRP 93 25.394 1.260 1.260 1700 1HB TRP 93 2HB TRP 93 24.804 -0.885 -0.885 1701 2HB TRP 93 1HB TRP 93 23.393 -0.293 -0.293 1702 HD1 TRP 93 1HD TRP 93 25.605 -3.246 -3.246 1703 HE1 TRP 93 1HE TRP 93 25.105 -4.913 -4.913 1704 HE3 TRP 93 3HE TRP 93 22.713 -0.253 -0.253 1705 HZ2 TRP 93 2HZ TRP 93 23.673 -4.954 -4.954 1706 HZ3 TRP 93 3HZ TRP 93 21.817 -1.183 -1.183 1707 HH2 TRP 93 2HH TRP 93 22.288 -3.485 -3.485 1708 H THR 94 HN THR 94 27.401 0.504 0.504 1709 HA THR 94 HA THR 94 28.893 -1.178 -1.178 1710 HB THR 94 HB THR 94 29.504 0.917 0.917 1711 HG1 THR 94 1HG THR 94 31.334 -0.315 -0.315 1712 1HG2 THR 94 3HG2 THR 94 28.692 2.064 2.064 1713 2HG2 THR 94 2HG2 THR 94 30.442 2.170 2.170 1714 3HG2 THR 94 1HG2 THR 94 29.666 2.879 2.879 1715 H ASN 95 HN ASN 95 29.855 -2.714 -2.714 1716 HA ASN 95 HA ASN 95 29.874 -3.067 -3.067 1717 1HB ASN 95 2HB ASN 95 31.966 -4.495 -4.495 1718 2HB ASN 95 1HB ASN 95 30.531 -4.901 -4.901 1719 1HD2 ASN 95 2HD2 ASN 95 32.768 -5.030 -5.030 1720 2HD2 ASN 95 1HD2 ASN 95 31.860 -5.937 -5.937 1721 H THR 96 HN THR 96 31.172 -2.607 -2.607 1722 HA THR 96 HA THR 96 32.782 -0.223 -0.223 1723 HB THR 96 HB THR 96 32.762 -0.148 -0.148 1724 HG1 THR 96 1HG THR 96 32.649 -1.874 -1.874 1725 1HG2 THR 96 1HG2 THR 96 30.485 0.076 0.076 1726 2HG2 THR 96 3HG2 THR 96 30.199 -1.604 -1.604 1727 3HG2 THR 96 2HG2 THR 96 30.514 -0.398 -0.398 1728 HA PRO 97 HA PRO 97 36.749 -2.127 -2.127 1729 1HB PRO 97 2HB PRO 97 38.260 -0.334 -0.334 1730 2HB PRO 97 1HB PRO 97 37.717 -0.071 -0.071 1731 1HG PRO 97 2HG PRO 97 36.559 0.955 0.955 1732 2HG PRO 97 1HG PRO 97 36.775 1.792 1.792 1733 1HD PRO 97 2HD PRO 97 34.384 0.828 0.828 1734 2HD PRO 97 1HD PRO 97 34.888 0.827 0.827 1735 H ASP 98 HN ASP 98 38.526 -3.015 -3.015 1736 HA ASP 98 HA ASP 98 37.776 -4.691 -4.691 1737 1HB ASP 98 2HB ASP 98 40.509 -3.425 -3.425 1738 2HB ASP 98 1HB ASP 98 40.143 -4.922 -4.922 1739 H GLY 99 HN GLY 99 36.887 -4.308 -4.308 1740 1HA GLY 99 2HA GLY 99 36.317 -3.248 -3.248 1741 2HA GLY 99 1HA GLY 99 38.056 -3.094 -3.094 1742 H ALA 100 HN ALA 100 35.727 -1.538 -1.538 1743 HA ALA 100 HA ALA 100 36.929 0.942 0.942 1744 1HB ALA 100 2HB ALA 100 34.554 -0.183 -0.183 1745 2HB ALA 100 1HB ALA 100 34.069 1.252 1.252 1746 3HB ALA 100 3HB ALA 100 35.235 1.390 1.390 1747 H ALA 101 HN ALA 101 33.865 0.531 0.531 1748 HA ALA 101 HA ALA 101 34.643 1.221 1.221 1749 1HB ALA 101 1HB ALA 101 34.123 3.630 3.630 1750 2HB ALA 101 3HB ALA 101 33.957 3.657 3.657 1751 3HB ALA 101 2HB ALA 101 35.520 3.295 3.295 1752 H LYS 102 HN LYS 102 32.860 1.993 1.993 1753 HA LYS 102 HA LYS 102 30.361 0.852 0.852 1754 1HB LYS 102 2HB LYS 102 30.954 1.997 1.997 1755 2HB LYS 102 1HB LYS 102 29.638 0.916 0.916 1756 1HG LYS 102 2HG LYS 102 31.478 -0.751 -0.751 1757 2HG LYS 102 1HG LYS 102 32.554 0.302 0.302 1758 1HD LYS 102 2HD LYS 102 31.504 -0.157 -0.157 1759 2HD LYS 102 1HD LYS 102 29.990 -0.618 -0.618 1760 1HE LYS 102 2HE LYS 102 30.609 -2.741 -2.741 1761 2HE LYS 102 1HE LYS 102 31.884 -2.432 -2.432 1762 1HZ LYS 102 3HZ LYS 102 32.407 -1.687 -1.687 1763 2HZ LYS 102 2HZ LYS 102 32.395 -3.338 -3.338 1764 3HZ LYS 102 1HZ LYS 102 33.461 -2.301 -2.301 1765 H GLN 103 HN GLN 103 30.248 2.665 2.665 1766 HA GLN 103 HA GLN 103 28.174 4.387 4.387 1767 1HB GLN 103 2HB GLN 103 29.437 6.592 6.592 1768 2HB GLN 103 1HB GLN 103 29.500 5.642 5.642 1769 1HG GLN 103 2HG GLN 103 31.695 4.793 4.793 1770 2HG GLN 103 1HG GLN 103 31.639 6.540 6.540 1771 1HE2 GLN 103 2HE2 GLN 103 33.047 7.193 7.193 1772 2HE2 GLN 103 1HE2 GLN 103 32.721 7.663 7.663 1773 H PHE 104 HN PHE 104 27.331 4.967 4.967 1774 HA PHE 104 HA PHE 104 28.347 4.231 4.231 1775 1HB PHE 104 2HB PHE 104 26.016 4.857 4.857 1776 2HB PHE 104 1HB PHE 104 26.475 6.530 6.530 1777 HD1 PHE 104 2HD PHE 104 27.406 7.907 7.907 1778 HD2 PHE 104 1HD PHE 104 25.814 4.019 4.019 1779 HE1 PHE 104 2HE PHE 104 27.232 8.399 8.399 1780 HE2 PHE 104 1HE PHE 104 25.638 4.501 4.501 1781 HZ PHE 104 HZ PHE 104 26.346 6.694 6.694 1782 H ARG 105 HN ARG 105 29.808 4.998 4.998 1783 HA ARG 105 HA ARG 105 30.928 7.676 7.676 1784 1HB ARG 105 2HB ARG 105 32.313 5.418 5.418 1785 2HB ARG 105 1HB ARG 105 32.620 5.617 5.617 1786 1HG ARG 105 2HG ARG 105 33.314 8.010 8.010 1787 2HG ARG 105 1HG ARG 105 33.374 7.430 7.430 1788 1HD ARG 105 2HD ARG 105 34.836 6.084 6.084 1789 2HD ARG 105 1HD ARG 105 35.552 7.367 7.367 1790 HE ARG 105 HE ARG 105 34.507 5.252 5.252 1791 1HH1 ARG 105 1HH2 ARG 105 37.221 6.212 6.212 1792 2HH1 ARG 105 2HH2 ARG 105 38.349 5.194 5.194 1793 1HH2 ARG 105 1HH1 ARG 105 35.983 3.905 3.905 1794 2HH2 ARG 105 2HH1 ARG 105 37.644 3.881 3.881 1795 H ARG 106 HN ARG 106 31.607 8.884 8.884 1796 HA ARG 106 HA ARG 106 30.273 8.097 8.097 1797 1HB ARG 106 2HB ARG 106 29.642 10.267 10.267 1798 2HB ARG 106 1HB ARG 106 31.288 10.826 10.826 1799 1HG ARG 106 2HG ARG 106 30.411 9.902 9.902 1800 2HG ARG 106 1HG ARG 106 29.057 10.804 10.804 1801 1HD ARG 106 2HD ARG 106 30.079 12.748 12.748 1802 2HD ARG 106 1HD ARG 106 31.548 12.189 12.189 1803 HE ARG 106 HE ARG 106 31.445 11.043 11.043 1804 1HH1 ARG 106 1HH2 ARG 106 31.804 14.173 14.173 1805 2HH1 ARG 106 2HH2 ARG 106 32.753 14.823 14.823 1806 1HH2 ARG 106 1HH1 ARG 106 32.695 11.888 11.888 1807 2HH2 ARG 106 2HH1 ARG 106 33.259 13.523 13.523 1808 H GLU 107 HN GLU 107 32.925 7.138 7.138 1809 HA GLU 107 HA GLU 107 34.589 8.254 8.254 1810 1HB GLU 107 2HB GLU 107 35.186 7.417 7.417 1811 2HB GLU 107 1HB GLU 107 36.346 6.867 6.867 1812 1HG GLU 107 2HG GLU 107 36.266 9.362 9.362 1813 2HG GLU 107 1HG GLU 107 35.672 9.634 9.634 1814 H TRP 108 HN TRP 108 32.683 5.639 5.639 1815 HA TRP 108 HA TRP 108 34.458 3.660 3.660 1816 1HB TRP 108 2HB TRP 108 31.583 3.252 3.252 1817 2HB TRP 108 1HB TRP 108 32.829 2.028 2.028 1818 HD1 TRP 108 1HD TRP 108 35.082 3.558 3.558 1819 HE1 TRP 108 1HE TRP 108 34.831 3.511 3.511 1820 HE3 TRP 108 3HE TRP 108 30.089 2.505 2.505 1821 HZ2 TRP 108 2HZ TRP 108 32.785 3.084 3.084 1822 HZ3 TRP 108 3HZ TRP 108 29.062 2.294 2.294 1823 HH2 TRP 108 2HH TRP 108 30.383 2.577 2.577 1824 H PHE 109 HN PHE 109 33.209 6.048 6.048 1825 HA PHE 109 HA PHE 109 31.878 4.522 4.522 1826 1HB PHE 109 2HB PHE 109 31.380 7.225 7.225 1827 2HB PHE 109 1HB PHE 109 31.154 7.027 7.027 1828 HD1 PHE 109 1HD PHE 109 29.996 5.970 5.970 1829 HD2 PHE 109 2HD PHE 109 29.327 5.762 5.762 1830 HE1 PHE 109 1HE PHE 109 27.762 5.018 5.018 1831 HE2 PHE 109 2HE PHE 109 27.093 4.810 4.810 1832 HZ PHE 109 HZ PHE 109 26.309 4.437 4.437 1833 H GLN 110 HN GLN 110 34.506 6.608 6.608 1834 HA GLN 110 HA GLN 110 35.165 7.640 7.640 1835 1HB GLN 110 2HB GLN 110 37.432 7.932 7.932 1836 2HB GLN 110 1HB GLN 110 36.197 8.465 8.465 1837 1HG GLN 110 2HG GLN 110 37.583 7.313 7.313 1838 2HG GLN 110 1HG GLN 110 36.446 6.042 6.042 1839 1HE2 GLN 110 2HE2 GLN 110 39.521 4.308 4.308 1840 2HE2 GLN 110 1HE2 GLN 110 38.327 4.744 4.744 1841 H GLY 111 HN GLY 111 35.749 4.499 4.499 1842 1HA GLY 111 2HA GLY 111 37.759 3.560 3.560 1843 2HA GLY 111 1HA GLY 111 36.575 2.550 2.550 1844 H ASP 112 HN ASP 112 37.765 2.410 2.410 1845 HA ASP 112 HA ASP 112 35.466 2.895 2.895 1846 1HB ASP 112 2HB ASP 112 38.351 2.488 2.488 1847 2HB ASP 112 1HB ASP 112 37.344 1.674 1.674 1848 H GLY 113 HN GLY 113 34.462 1.252 1.252 1849 1HA GLY 113 2HA GLY 113 33.924 -0.954 -0.954 1850 2HA GLY 113 1HA GLY 113 35.115 -1.519 -1.519 1851 H MET 114 HN MET 114 34.555 -1.325 -1.325 1852 HA MET 114 HA MET 114 32.225 -2.593 -2.593 1853 1HB MET 114 2HB MET 114 34.105 -0.829 -0.829 1854 2HB MET 114 1HB MET 114 32.622 -1.369 -1.369 1855 1HG MET 114 2HG MET 114 34.020 -3.027 -3.027 1856 2HG MET 114 1HG MET 114 33.440 -3.722 -3.722 1857 1HE MET 114 2HE MET 114 35.623 -4.891 -4.891 1858 2HE MET 114 1HE MET 114 35.932 -5.384 -5.384 1859 3HE MET 114 3HE MET 114 37.229 -4.682 -4.682 1860 H VAL 115 HN VAL 115 30.515 -1.728 -1.728 1861 HA VAL 115 HA VAL 115 28.861 -0.220 -0.220 1862 HB VAL 115 HB VAL 115 29.827 1.710 1.710 1863 1HG1 VAL 115 1HG1 VAL 115 27.583 2.011 2.011 1864 2HG1 VAL 115 3HG1 VAL 115 28.380 2.184 2.184 1865 3HG1 VAL 115 2HG1 VAL 115 28.690 3.355 3.355 1866 1HG2 VAL 115 1HG2 VAL 115 31.280 0.861 0.861 1867 2HG2 VAL 115 3HG2 VAL 115 31.673 2.152 2.152 1868 3HG2 VAL 115 2HG2 VAL 115 30.705 2.501 2.501 1869 H ARG 116 HN ARG 116 27.090 -1.233 -1.233 1870 HA ARG 116 HA ARG 116 26.503 -1.367 -1.367 1871 1HB ARG 116 2HB ARG 116 25.538 -2.896 -2.896 1872 2HB ARG 116 1HB ARG 116 24.595 -2.888 -2.888 1873 1HG ARG 116 2HG ARG 116 26.223 -4.027 -4.027 1874 2HG ARG 116 1HG ARG 116 27.499 -3.598 -3.598 1875 1HD ARG 116 2HD ARG 116 26.312 -5.017 -5.017 1876 2HD ARG 116 1HD ARG 116 25.256 -5.568 -5.568 1877 HE ARG 116 HE ARG 116 27.933 -6.417 -6.417 1878 1HH1 ARG 116 1HH2 ARG 116 25.578 -5.906 -5.906 1879 2HH1 ARG 116 2HH2 ARG 116 26.283 -7.068 -7.068 1880 1HH2 ARG 116 1HH1 ARG 116 28.867 -7.951 -7.951 1881 2HH2 ARG 116 2HH1 ARG 116 28.153 -8.231 -8.231 1882 H ARG 117 HN ARG 117 24.574 -0.611 -0.611 1883 HA ARG 117 HA ARG 117 23.220 1.415 1.415 1884 1HB ARG 117 2HB ARG 117 23.917 1.192 1.192 1885 2HB ARG 117 1HB ARG 117 22.356 1.922 1.922 1886 1HG ARG 117 2HG ARG 117 23.366 3.841 3.841 1887 2HG ARG 117 1HG ARG 117 24.235 3.084 3.084 1888 1HD ARG 117 2HD ARG 117 26.063 2.512 2.512 1889 2HD ARG 117 1HD ARG 117 25.157 2.882 2.882 1890 HE ARG 117 HE ARG 117 25.237 5.241 5.241 1891 1HH1 ARG 117 1HH2 ARG 117 27.613 2.989 2.989 1892 2HH1 ARG 117 2HH2 ARG 117 28.829 4.199 4.199 1893 1HH2 ARG 117 1HH1 ARG 117 26.830 6.841 6.841 1894 2HH2 ARG 117 2HH1 ARG 117 28.383 6.391 6.391 1895 H LYS 118 HN LYS 118 20.938 1.704 1.704 1896 HA LYS 118 HA LYS 118 19.401 -0.537 -0.537 1897 1HB LYS 118 2HB LYS 118 19.893 -0.082 -0.082 1898 2HB LYS 118 1HB LYS 118 18.176 -0.032 -0.032 1899 1HG LYS 118 2HG LYS 118 19.612 -2.262 -2.262 1900 2HG LYS 118 1HG LYS 118 19.592 -2.286 -2.286 1901 1HD LYS 118 2HD LYS 118 17.546 -3.156 -3.156 1902 2HD LYS 118 1HD LYS 118 16.993 -1.602 -1.602 1903 1HE LYS 118 2HE LYS 118 16.273 -3.004 -3.004 1904 2HE LYS 118 1HE LYS 118 17.868 -2.565 -2.565 1905 1HZ LYS 118 2HZ LYS 118 18.737 -4.622 -4.622 1906 2HZ LYS 118 1HZ LYS 118 17.183 -5.047 -5.047 1907 3HZ LYS 118 3HZ LYS 118 17.524 -4.930 -4.930 1908 H ASN 119 HN ASN 119 17.071 -0.076 -0.076 1909 HA ASN 119 HA ASN 119 16.364 2.746 2.746 1910 1HB ASN 119 2HB ASN 119 16.489 1.216 1.216 1911 2HB ASN 119 1HB ASN 119 15.212 2.410 2.410 1912 1HD2 ASN 119 2HD2 ASN 119 19.095 3.555 3.555 1913 2HD2 ASN 119 1HD2 ASN 119 18.681 1.919 1.919 1914 H LEU 120 HN LEU 120 14.159 3.158 3.158 1915 HA LEU 120 HA LEU 120 12.272 0.958 0.958 1916 1HB LEU 120 2HB LEU 120 13.080 2.325 2.325 1917 2HB LEU 120 1HB LEU 120 11.477 1.641 1.641 1918 HG LEU 120 HG LEU 120 14.056 0.094 0.094 1919 1HD1 LEU 120 3HD1 LEU 120 12.034 0.185 0.185 1920 2HD1 LEU 120 2HD1 LEU 120 13.408 -0.916 -0.916 1921 3HD1 LEU 120 1HD1 LEU 120 13.679 0.819 0.819 1922 1HD2 LEU 120 2HD2 LEU 120 11.429 -0.477 -0.477 1923 2HD2 LEU 120 1HD2 LEU 120 12.846 -1.525 -1.525 1924 3HD2 LEU 120 3HD2 LEU 120 11.771 -1.522 -1.522 1925 HA PRO 121 HA PRO 121 10.591 4.928 4.928 1926 1HB PRO 121 2HB PRO 121 8.697 2.857 2.857 1927 2HB PRO 121 1HB PRO 121 9.419 4.232 4.232 1928 1HG PRO 121 2HG PRO 121 10.320 1.766 1.766 1929 2HG PRO 121 1HG PRO 121 11.439 3.138 3.138 1930 1HD PRO 121 2HD PRO 121 10.879 1.010 1.010 1931 2HD PRO 121 1HD PRO 121 12.403 1.841 1.841 1932 H ILE 122 HN ILE 122 8.577 5.988 5.988 1933 HA ILE 122 HA ILE 122 7.028 4.844 4.844 1934 HB ILE 122 HB ILE 122 7.404 7.771 7.771 1935 1HG1 ILE 122 2HG1 ILE 122 9.487 6.627 6.627 1936 2HG1 ILE 122 1HG1 ILE 122 8.910 7.878 7.878 1937 1HG2 ILE 122 1HG2 ILE 122 6.001 6.310 6.310 1938 2HG2 ILE 122 3HG2 ILE 122 6.487 8.000 8.000 1939 3HG2 ILE 122 2HG2 ILE 122 5.344 7.510 7.510 1940 1HD1 ILE 122 3HD1 ILE 122 7.791 5.325 5.325 1941 2HD1 ILE 122 2HD1 ILE 122 9.551 5.244 5.244 1942 3HD1 ILE 122 1HD1 ILE 122 8.769 6.431 6.431 1943 H GLU 123 HN GLU 123 4.790 5.007 5.007 1944 HA GLU 123 HA GLU 123 3.535 6.138 6.138 1945 1HB GLU 123 2HB GLU 123 3.817 3.329 3.329 1946 2HB GLU 123 1HB GLU 123 2.116 3.773 3.773 1947 1HG GLU 123 2HG GLU 123 3.038 5.051 5.051 1948 2HG GLU 123 1HG GLU 123 3.999 3.572 3.572 1949 H TYR 124 HN TYR 124 1.157 6.242 6.242 1950 HA TYR 124 HA TYR 124 0.284 6.478 6.478 1951 1HB TYR 124 2HB TYR 124 -0.130 8.531 8.531 1952 2HB TYR 124 1HB TYR 124 -0.906 8.581 8.581 1953 HD1 TYR 124 1HD TYR 124 2.329 8.832 8.832 1954 HD2 TYR 124 2HD TYR 124 0.271 9.354 9.354 1955 HE1 TYR 124 1HE TYR 124 4.267 10.046 10.046 1956 HE2 TYR 124 2HE TYR 124 2.202 10.570 10.570 1957 HH TYR 124 HH TYR 124 5.015 10.448 10.448 1958 H ASN 125 HN ASN 125 -1.248 4.976 4.976 1959 HA ASN 125 HA ASN 125 -3.079 4.475 4.475 1960 1HB ASN 125 2HB ASN 125 -1.909 2.584 2.584 1961 2HB ASN 125 1HB ASN 125 -2.883 2.966 2.966 1962 1HD2 ASN 125 2HD2 ASN 125 -5.327 0.792 0.792 1963 2HD2 ASN 125 1HD2 ASN 125 -4.295 1.374 1.374 1964 H LEU 126 HN LEU 126 -4.276 6.432 6.432 1965 HA LEU 126 HA LEU 126 -5.546 7.321 7.321 1966 1HB LEU 126 2HB LEU 126 -6.501 7.551 7.551 1967 2HB LEU 126 1HB LEU 126 -7.088 8.508 8.508 1968 HG LEU 126 HG LEU 126 -4.196 8.541 8.541 1969 1HD1 LEU 126 2HD1 LEU 126 -6.533 9.900 9.900 1970 2HD1 LEU 126 1HD1 LEU 126 -5.058 10.842 10.842 1971 3HD1 LEU 126 3HD1 LEU 126 -5.021 9.361 9.361 1972 1HD2 LEU 126 2HD2 LEU 126 -4.960 9.379 9.379 1973 2HD2 LEU 126 1HD2 LEU 126 -4.064 10.524 10.524 1974 3HD2 LEU 126 3HD2 LEU 126 -5.818 10.652 10.652 Start of MODEL 15 1 1H ALA 1 2HN ALA 1 -42.802 6.013 6.013 2 2H ALA 1 1HN ALA 1 -44.011 4.921 4.921 3 3H ALA 1 3HN ALA 1 -44.187 5.714 5.714 4 HA ALA 1 HA ALA 1 -42.481 4.530 4.530 5 1HB ALA 1 1HB ALA 1 -44.357 2.889 2.889 6 2HB ALA 1 3HB ALA 1 -43.171 2.117 2.117 7 3HB ALA 1 2HB ALA 1 -44.381 3.202 3.202 8 H GLN 2 HN GLN 2 -40.935 2.647 2.647 9 HA GLN 2 HA GLN 2 -38.955 1.902 1.902 10 1HB GLN 2 2HB GLN 2 -40.268 2.097 2.097 11 2HB GLN 2 1HB GLN 2 -39.009 0.979 0.979 12 1HG GLN 2 2HG GLN 2 -40.478 -0.350 -0.350 13 2HG GLN 2 1HG GLN 2 -41.661 0.942 0.942 14 1HE2 GLN 2 2HE2 GLN 2 -41.858 -1.601 -1.601 15 2HE2 GLN 2 1HE2 GLN 2 -40.680 -1.729 -1.729 16 H SER 3 HN SER 3 -37.654 3.664 3.664 17 HA SER 3 HA SER 3 -37.333 5.681 5.681 18 1HB SER 3 2HB SER 3 -35.764 6.115 6.115 19 2HB SER 3 1HB SER 3 -36.935 7.175 7.175 20 HG SER 3 HG SER 3 -38.455 6.474 6.474 21 H VAL 4 HN VAL 4 -34.853 6.550 6.550 22 HA VAL 4 HA VAL 4 -33.300 4.729 4.729 23 HB VAL 4 HB VAL 4 -31.344 6.197 6.197 24 1HG1 VAL 4 2HG1 VAL 4 -33.757 6.921 6.921 25 2HG1 VAL 4 1HG1 VAL 4 -32.783 8.306 8.306 26 3HG1 VAL 4 3HG1 VAL 4 -32.062 7.021 7.021 27 1HG2 VAL 4 3HG2 VAL 4 -32.673 6.835 6.835 28 2HG2 VAL 4 2HG2 VAL 4 -31.552 7.966 7.966 29 3HG2 VAL 4 1HG2 VAL 4 -33.287 8.127 8.127 30 HA PRO 5 HA PRO 5 -31.526 2.010 2.010 31 1HB PRO 5 2HB PRO 5 -29.047 1.587 1.587 32 2HB PRO 5 1HB PRO 5 -30.506 0.928 0.928 33 1HG PRO 5 2HG PRO 5 -28.932 3.365 3.365 34 2HG PRO 5 1HG PRO 5 -29.620 2.114 2.114 35 1HD PRO 5 2HD PRO 5 -30.813 4.517 4.517 36 2HD PRO 5 1HD PRO 5 -31.734 3.029 3.029 37 HA PRO 6 HA PRO 6 -29.057 4.056 4.056 38 1HB PRO 6 2HB PRO 6 -27.181 2.192 2.192 39 2HB PRO 6 1HB PRO 6 -28.868 2.138 2.138 40 1HG PRO 6 2HG PRO 6 -27.532 0.663 0.663 41 2HG PRO 6 1HG PRO 6 -28.705 0.067 0.067 42 1HD PRO 6 2HD PRO 6 -29.437 0.705 0.705 43 2HD PRO 6 1HD PRO 6 -30.505 1.001 1.001 44 H GLY 7 HN GLY 7 -27.396 5.471 5.471 45 1HA GLY 7 2HA GLY 7 -25.718 5.748 5.748 46 2HA GLY 7 1HA GLY 7 -25.608 6.683 6.683 47 H ASP 8 HN ASP 8 -23.334 6.618 6.618 48 HA ASP 8 HA ASP 8 -22.152 3.977 3.977 49 1HB ASP 8 2HB ASP 8 -21.080 6.424 6.424 50 2HB ASP 8 1HB ASP 8 -19.974 5.275 5.275 51 H ILE 9 HN ILE 9 -20.555 3.810 3.810 52 HA ILE 9 HA ILE 9 -20.784 5.910 5.910 53 HB ILE 9 HB ILE 9 -20.199 4.181 4.181 54 1HG1 ILE 9 2HG1 ILE 9 -20.761 1.828 1.828 55 2HG1 ILE 9 1HG1 ILE 9 -19.487 2.710 2.710 56 1HG2 ILE 9 3HG2 ILE 9 -22.562 4.714 4.714 57 2HG2 ILE 9 2HG2 ILE 9 -22.531 3.283 3.283 58 3HG2 ILE 9 1HG2 ILE 9 -22.323 3.118 3.118 59 1HD1 ILE 9 2HD1 ILE 9 -18.700 2.804 2.804 60 2HD1 ILE 9 1HD1 ILE 9 -19.392 1.191 1.191 61 3HD1 ILE 9 3HD1 ILE 9 -18.086 1.707 1.707 62 H ASN 10 HN ASN 10 -19.016 7.001 7.001 63 HA ASN 10 HA ASN 10 -16.517 6.493 6.493 64 1HB ASN 10 2HB ASN 10 -17.729 8.637 8.637 65 2HB ASN 10 1HB ASN 10 -16.130 8.308 8.308 66 1HD2 ASN 10 2HD2 ASN 10 -16.336 10.589 10.589 67 2HD2 ASN 10 1HD2 ASN 10 -17.522 10.366 10.366 68 H THR 11 HN THR 11 -14.504 5.999 5.999 69 HA THR 11 HA THR 11 -14.636 4.914 4.914 70 HB THR 11 HB THR 11 -13.176 2.955 2.955 71 HG1 THR 11 1HG THR 11 -14.463 2.320 2.320 72 1HG2 THR 11 1HG2 THR 11 -15.166 2.829 2.829 73 2HG2 THR 11 3HG2 THR 11 -16.137 2.642 2.642 74 3HG2 THR 11 2HG2 THR 11 -14.860 1.481 1.481 75 H GLN 12 HN GLN 12 -12.723 4.932 4.932 76 HA GLN 12 HA GLN 12 -10.371 5.992 5.992 77 1HB GLN 12 2HB GLN 12 -11.743 6.968 6.968 78 2HB GLN 12 1HB GLN 12 -9.985 6.961 6.961 79 1HG GLN 12 2HG GLN 12 -9.803 8.658 8.658 80 2HG GLN 12 1HG GLN 12 -11.151 8.095 8.095 81 1HE2 GLN 12 2HE2 GLN 12 -11.741 10.758 10.758 82 2HE2 GLN 12 1HE2 GLN 12 -10.270 9.861 9.861 83 HA PRO 13 HA PRO 13 -8.320 5.418 5.418 84 1HB PRO 13 2HB PRO 13 -7.814 2.629 2.629 85 2HB PRO 13 1HB PRO 13 -6.711 4.006 4.006 86 1HG PRO 13 2HG PRO 13 -6.528 2.025 2.025 87 2HG PRO 13 1HG PRO 13 -6.245 3.712 3.712 88 1HD PRO 13 2HD PRO 13 -8.666 2.002 2.002 89 2HD PRO 13 1HD PRO 13 -7.893 3.160 3.160 90 H SER 14 HN SER 14 -8.747 5.171 5.171 91 HA SER 14 HA SER 14 -11.327 5.314 5.314 92 1HB SER 14 2HB SER 14 -9.558 5.851 5.851 93 2HB SER 14 1HB SER 14 -9.067 4.161 4.161 94 HG SER 14 HG SER 14 -11.678 4.970 4.970 95 H GLN 15 HN GLN 15 -9.458 2.280 2.280 96 HA GLN 15 HA GLN 15 -11.540 0.645 0.645 97 1HB GLN 15 2HB GLN 15 -12.723 1.167 1.167 98 2HB GLN 15 1HB GLN 15 -11.297 0.859 0.859 99 1HG GLN 15 2HG GLN 15 -11.896 -1.476 -1.476 100 2HG GLN 15 1HG GLN 15 -13.359 -0.926 -0.926 101 1HE2 GLN 15 2HE2 GLN 15 -12.175 -2.912 -2.912 102 2HE2 GLN 15 1HE2 GLN 15 -13.265 -2.810 -2.810 103 H LYS 16 HN LYS 16 -8.941 0.682 0.682 104 HA LYS 16 HA LYS 16 -8.092 -1.981 -1.981 105 1HB LYS 16 2HB LYS 16 -7.863 -1.163 -1.163 106 2HB LYS 16 1HB LYS 16 -6.799 0.125 0.125 107 1HG LYS 16 2HG LYS 16 -5.044 -1.335 -1.335 108 2HG LYS 16 1HG LYS 16 -6.105 -2.744 -2.744 109 1HD LYS 16 2HD LYS 16 -6.522 -2.481 -2.481 110 2HD LYS 16 1HD LYS 16 -5.394 -1.124 -1.124 111 1HE LYS 16 2HE LYS 16 -3.638 -2.489 -2.489 112 2HE LYS 16 1HE LYS 16 -4.214 -3.444 -3.444 113 1HZ LYS 16 1HZ LYS 16 -5.704 -3.907 -3.907 114 2HZ LYS 16 3HZ LYS 16 -4.064 -4.293 -4.293 115 3HZ LYS 16 2HZ LYS 16 -4.987 -5.017 -5.017 116 H ILE 17 HN ILE 17 -7.048 -2.383 -2.383 117 HA ILE 17 HA ILE 17 -5.106 -0.390 -0.390 118 HB ILE 17 HB ILE 17 -6.932 -0.738 -0.738 119 1HG1 ILE 17 2HG1 ILE 17 -4.329 -1.999 -1.999 120 2HG1 ILE 17 1HG1 ILE 17 -4.721 -0.283 -0.283 121 1HG2 ILE 17 3HG2 ILE 17 -6.673 -3.447 -3.447 122 2HG2 ILE 17 2HG2 ILE 17 -6.422 -3.364 -3.364 123 3HG2 ILE 17 1HG2 ILE 17 -7.901 -2.718 -2.718 124 1HD1 ILE 17 3HD1 ILE 17 -6.610 -1.971 -1.971 125 2HD1 ILE 17 2HD1 ILE 17 -4.967 -1.981 -1.981 126 3HD1 ILE 17 1HD1 ILE 17 -5.837 -0.457 -0.457 127 H VAL 18 HN VAL 18 -3.021 -0.963 -0.963 128 HA VAL 18 HA VAL 18 -2.346 -3.762 -3.762 129 HB VAL 18 HB VAL 18 -0.565 -1.338 -1.338 130 1HG1 VAL 18 1HG1 VAL 18 0.511 -3.587 -3.587 131 2HG1 VAL 18 3HG1 VAL 18 -0.198 -4.077 -4.077 132 3HG1 VAL 18 2HG1 VAL 18 0.965 -2.753 -2.753 133 1HG2 VAL 18 3HG2 VAL 18 -2.352 -2.706 -2.706 134 2HG2 VAL 18 2HG2 VAL 18 -2.191 -0.985 -0.985 135 3HG2 VAL 18 1HG2 VAL 18 -0.911 -1.831 -1.831 136 H PHE 19 HN PHE 19 -2.514 -4.548 -4.548 137 HA PHE 19 HA PHE 19 -1.388 -3.492 -3.492 138 1HB PHE 19 2HB PHE 19 -2.021 -6.268 -6.268 139 2HB PHE 19 1HB PHE 19 -1.075 -6.066 -6.066 140 HD1 PHE 19 1HD PHE 19 -4.083 -4.429 -4.429 141 HD2 PHE 19 2HD PHE 19 -2.306 -6.252 -6.252 142 HE1 PHE 19 1HE PHE 19 -6.154 -4.056 -4.056 143 HE2 PHE 19 2HE PHE 19 -4.374 -5.881 -5.881 144 HZ PHE 19 HZ PHE 19 -6.302 -4.782 -4.782 145 H ASN 20 HN ASN 20 0.626 -2.637 -2.637 146 HA ASN 20 HA ASN 20 2.793 -3.836 -3.836 147 1HB ASN 20 2HB ASN 20 2.942 -1.727 -1.727 148 2HB ASN 20 1HB ASN 20 4.149 -2.067 -2.067 149 1HD2 ASN 20 2HD2 ASN 20 0.952 0.275 0.275 150 2HD2 ASN 20 1HD2 ASN 20 1.143 -0.550 -0.550 151 H ALA 21 HN ALA 21 4.428 -5.100 -5.100 152 HA ALA 21 HA ALA 21 4.066 -6.663 -6.663 153 1HB ALA 21 2HB ALA 21 5.742 -6.704 -6.704 154 2HB ALA 21 1HB ALA 21 6.683 -7.059 -7.059 155 3HB ALA 21 3HB ALA 21 5.263 -8.030 -8.030 156 HA PRO 22 HA PRO 22 6.164 -8.014 -8.014 157 1HB PRO 22 2HB PRO 22 6.694 -8.615 -8.615 158 2HB PRO 22 1HB PRO 22 7.961 -8.085 -8.085 159 1HG PRO 22 2HG PRO 22 6.483 -6.512 -6.512 160 2HG PRO 22 1HG PRO 22 8.216 -6.511 -6.511 161 1HD PRO 22 2HD PRO 22 6.483 -4.603 -4.603 162 2HD PRO 22 1HD PRO 22 7.951 -5.074 -5.074 163 H TYR 23 HN TYR 23 4.882 -9.715 -9.715 164 HA TYR 23 HA TYR 23 2.336 -8.663 -8.663 165 1HB TYR 23 2HB TYR 23 2.865 -11.281 -11.281 166 2HB TYR 23 1HB TYR 23 1.290 -10.676 -10.676 167 HD1 TYR 23 2HD TYR 23 1.885 -7.750 -7.750 168 HD2 TYR 23 1HD TYR 23 2.320 -11.449 -11.449 169 HE1 TYR 23 2HE TYR 23 1.643 -6.578 -6.578 170 HE2 TYR 23 1HE TYR 23 2.079 -10.286 -10.286 171 HH TYR 23 HH TYR 23 2.491 -7.869 -7.869 172 H ASP 24 HN ASP 24 4.686 -9.232 -9.232 173 HA ASP 24 HA ASP 24 3.778 -11.553 -11.553 174 1HB ASP 24 2HB ASP 24 6.241 -11.159 -11.159 175 2HB ASP 24 1HB ASP 24 6.335 -10.114 -10.114 176 H ASP 25 HN ASP 25 3.042 -8.424 -8.424 177 HA ASP 25 HA ASP 25 2.777 -8.300 -8.300 178 1HB ASP 25 2HB ASP 25 4.146 -6.376 -6.376 179 2HB ASP 25 1HB ASP 25 3.056 -5.669 -5.669 180 H LYS 26 HN LYS 26 1.020 -6.999 -6.999 181 HA LYS 26 HA LYS 26 -1.307 -7.220 -7.220 182 1HB LYS 26 2HB LYS 26 -0.855 -5.882 -5.882 183 2HB LYS 26 1HB LYS 26 -2.431 -6.054 -6.054 184 1HG LYS 26 2HG LYS 26 -2.025 -8.543 -8.543 185 2HG LYS 26 1HG LYS 26 -0.626 -8.227 -8.227 186 1HD LYS 26 2HD LYS 26 -2.530 -6.820 -6.820 187 2HD LYS 26 1HD LYS 26 -3.505 -8.124 -8.124 188 1HE LYS 26 2HE LYS 26 -1.426 -9.545 -9.545 189 2HE LYS 26 1HE LYS 26 -1.404 -8.200 -8.200 190 1HZ LYS 26 3HZ LYS 26 -4.053 -9.110 -9.110 191 2HZ LYS 26 2HZ LYS 26 -3.063 -10.417 -10.417 192 3HZ LYS 26 1HZ LYS 26 -3.136 -9.060 -9.060 193 H HIS 27 HN HIS 27 -2.287 -5.756 -5.756 194 HA HIS 27 HA HIS 27 -1.533 -2.936 -2.936 195 1HB HIS 27 2HB HIS 27 -1.296 -4.633 -4.633 196 2HB HIS 27 1HB HIS 27 -1.437 -2.879 -2.879 197 HD1 HIS 27 1HD HIS 27 0.464 -2.537 -2.537 198 HD2 HIS 27 2HD HIS 27 1.304 -4.556 -4.556 199 HE1 HIS 27 1HE HIS 27 2.985 -2.626 -2.626 200 H THR 28 HN THR 28 -3.556 -2.413 -2.413 201 HA THR 28 HA THR 28 -5.958 -3.289 -3.289 202 HB THR 28 HB THR 28 -5.769 -0.951 -0.951 203 HG1 THR 28 1HG THR 28 -5.869 -2.456 -2.456 204 1HG2 THR 28 3HG2 THR 28 -7.866 -3.056 -3.056 205 2HG2 THR 28 2HG2 THR 28 -7.900 -1.872 -1.872 206 3HG2 THR 28 1HG2 THR 28 -7.977 -1.335 -1.335 207 H TYR 29 HN TYR 29 -6.516 -2.572 -2.572 208 HA TYR 29 HA TYR 29 -5.802 0.155 0.155 209 1HB TYR 29 2HB TYR 29 -6.686 -2.270 -2.270 210 2HB TYR 29 1HB TYR 29 -6.609 -0.667 -0.667 211 HD1 TYR 29 1HD TYR 29 -4.652 -3.457 -3.457 212 HD2 TYR 29 2HD TYR 29 -4.475 0.399 0.399 213 HE1 TYR 29 1HE TYR 29 -2.260 -3.789 -3.789 214 HE2 TYR 29 2HE TYR 29 -2.082 0.079 0.079 215 HH TYR 29 HH TYR 29 -0.472 -1.674 -1.674 216 H HIS 30 HN HIS 30 -7.277 1.601 1.601 217 HA HIS 30 HA HIS 30 -10.069 0.946 0.946 218 1HB HIS 30 2HB HIS 30 -8.482 3.467 3.467 219 2HB HIS 30 1HB HIS 30 -10.241 3.457 3.457 220 HD1 HIS 30 1HD HIS 30 -7.699 1.035 1.035 221 HD2 HIS 30 2HD HIS 30 -10.854 3.510 3.510 222 HE1 HIS 30 1HE HIS 30 -8.055 0.683 0.683 223 H ILE 31 HN ILE 31 -11.490 1.027 1.027 224 HA ILE 31 HA ILE 31 -10.869 2.672 2.672 225 HB ILE 31 HB ILE 31 -12.773 0.334 0.334 226 1HG1 ILE 31 2HG1 ILE 31 -9.913 0.427 0.427 227 2HG1 ILE 31 1HG1 ILE 31 -10.480 -0.417 -0.417 228 1HG2 ILE 31 1HG2 ILE 31 -11.674 2.010 2.010 229 2HG2 ILE 31 3HG2 ILE 31 -12.410 0.430 0.430 230 3HG2 ILE 31 2HG2 ILE 31 -13.360 1.737 1.737 231 1HD1 ILE 31 3HD1 ILE 31 -11.880 -1.848 -1.848 232 2HD1 ILE 31 2HD1 ILE 31 -11.189 -1.046 -1.046 233 3HD1 ILE 31 1HD1 ILE 31 -10.155 -1.990 -1.990 234 H LYS 32 HN LYS 32 -12.109 4.384 4.384 235 HA LYS 32 HA LYS 32 -14.546 4.741 4.741 236 1HB LYS 32 2HB LYS 32 -12.683 6.572 6.572 237 2HB LYS 32 1HB LYS 32 -14.342 7.094 7.094 238 1HG LYS 32 2HG LYS 32 -13.729 7.794 7.794 239 2HG LYS 32 1HG LYS 32 -13.477 6.108 6.108 240 1HD LYS 32 2HD LYS 32 -11.488 7.451 7.451 241 2HD LYS 32 1HD LYS 32 -11.163 6.237 6.237 242 1HE LYS 32 2HE LYS 32 -10.292 7.951 7.951 243 2HE LYS 32 1HE LYS 32 -11.972 8.353 8.353 244 1HZ LYS 32 1HZ LYS 32 -11.600 9.546 9.546 245 2HZ LYS 32 3HZ LYS 32 -10.065 9.719 9.719 246 3HZ LYS 32 2HZ LYS 32 -11.427 10.321 10.321 247 H ILE 33 HN ILE 33 -16.494 5.520 5.520 248 HA ILE 33 HA ILE 33 -16.783 4.972 4.972 249 HB ILE 33 HB ILE 33 -18.735 4.041 4.041 250 1HG1 ILE 33 2HG1 ILE 33 -17.115 2.263 2.263 251 2HG1 ILE 33 1HG1 ILE 33 -16.477 2.802 2.802 252 1HG2 ILE 33 3HG2 ILE 33 -18.725 3.919 3.919 253 2HG2 ILE 33 2HG2 ILE 33 -19.679 2.800 2.800 254 3HG2 ILE 33 1HG2 ILE 33 -19.977 4.535 4.535 255 1HD1 ILE 33 3HD1 ILE 33 -19.099 1.803 1.803 256 2HD1 ILE 33 2HD1 ILE 33 -18.193 0.629 0.629 257 3HD1 ILE 33 1HD1 ILE 33 -17.565 1.175 1.175 258 H THR 34 HN THR 34 -18.566 6.070 6.070 259 HA THR 34 HA THR 34 -19.901 8.114 8.114 260 HB THR 34 HB THR 34 -18.158 8.719 8.719 261 HG1 THR 34 1HG THR 34 -18.050 9.300 9.300 262 1HG2 THR 34 1HG2 THR 34 -20.328 9.993 9.993 263 2HG2 THR 34 3HG2 THR 34 -19.813 10.723 10.723 264 3HG2 THR 34 2HG2 THR 34 -18.859 10.967 10.967 265 H ASN 35 HN ASN 35 -21.761 9.006 9.006 266 HA ASN 35 HA ASN 35 -22.931 7.288 7.288 267 1HB ASN 35 2HB ASN 35 -24.177 7.542 7.542 268 2HB ASN 35 1HB ASN 35 -24.255 9.282 9.282 269 1HD2 ASN 35 2HD2 ASN 35 -26.380 6.897 6.897 270 2HD2 ASN 35 1HD2 ASN 35 -24.816 6.413 6.413 271 H ALA 36 HN ALA 36 -22.502 8.041 8.041 272 HA ALA 36 HA ALA 36 -22.489 10.911 10.911 273 1HB ALA 36 3HB ALA 36 -20.760 9.188 9.188 274 2HB ALA 36 2HB ALA 36 -21.985 8.835 8.835 275 3HB ALA 36 1HB ALA 36 -21.326 10.465 10.465 276 H GLY 37 HN GLY 37 -24.960 9.205 9.205 277 1HA GLY 37 2HA GLY 37 -26.364 9.728 9.728 278 2HA GLY 37 1HA GLY 37 -26.879 8.565 8.565 279 H GLY 38 HN GLY 38 -28.969 9.643 9.643 280 1HA GLY 38 2HA GLY 38 -29.040 12.157 12.157 281 2HA GLY 38 1HA GLY 38 -30.176 11.786 11.786 282 H ARG 39 HN ARG 39 -29.022 9.638 9.638 283 HA ARG 39 HA ARG 39 -31.119 9.889 9.889 284 1HB ARG 39 2HB ARG 39 -32.478 7.865 7.865 285 2HB ARG 39 1HB ARG 39 -32.666 9.231 9.231 286 1HG ARG 39 2HG ARG 39 -30.931 8.108 8.108 287 2HG ARG 39 1HG ARG 39 -31.153 6.680 6.680 288 1HD ARG 39 2HD ARG 39 -32.826 6.136 6.136 289 2HD ARG 39 1HD ARG 39 -33.732 7.442 7.442 290 HE ARG 39 HE ARG 39 -32.080 8.318 8.318 291 1HH1 ARG 39 1HH2 ARG 39 -35.168 6.973 6.973 292 2HH1 ARG 39 2HH2 ARG 39 -35.972 7.552 7.552 293 1HH2 ARG 39 1HH1 ARG 39 -33.127 9.083 9.083 294 2HH2 ARG 39 2HH1 ARG 39 -34.811 8.752 8.752 295 H ARG 40 HN ARG 40 -31.255 8.057 8.057 296 HA ARG 40 HA ARG 40 -28.747 7.144 7.144 297 1HB ARG 40 2HB ARG 40 -29.993 5.551 5.551 298 2HB ARG 40 1HB ARG 40 -30.522 7.222 7.222 299 1HG ARG 40 2HG ARG 40 -32.445 6.750 6.750 300 2HG ARG 40 1HG ARG 40 -31.901 5.084 5.084 301 1HD ARG 40 2HD ARG 40 -33.688 5.353 5.353 302 2HD ARG 40 1HD ARG 40 -32.209 4.625 4.625 303 HE ARG 40 HE ARG 40 -32.323 7.474 7.474 304 1HH1 ARG 40 1HH2 ARG 40 -33.230 4.392 4.392 305 2HH1 ARG 40 2HH2 ARG 40 -33.344 4.987 4.987 306 1HH2 ARG 40 1HH1 ARG 40 -32.470 8.269 8.269 307 2HH2 ARG 40 2HH1 ARG 40 -32.911 7.190 7.190 308 H ILE 41 HN ILE 41 -28.202 4.739 4.739 309 HA ILE 41 HA ILE 41 -29.150 2.957 2.957 310 HB ILE 41 HB ILE 41 -26.807 2.599 2.599 311 1HG1 ILE 41 2HG1 ILE 41 -26.232 5.431 5.431 312 2HG1 ILE 41 1HG1 ILE 41 -25.942 4.181 4.181 313 1HG2 ILE 41 2HG2 ILE 41 -28.683 3.738 3.738 314 2HG2 ILE 41 1HG2 ILE 41 -28.032 5.276 5.276 315 3HG2 ILE 41 3HG2 ILE 41 -27.074 4.253 4.253 316 1HD1 ILE 41 3HD1 ILE 41 -24.827 3.920 3.920 317 2HD1 ILE 41 2HD1 ILE 41 -24.017 4.905 4.905 318 3HD1 ILE 41 1HD1 ILE 41 -24.274 3.183 3.183 319 H GLY 42 HN GLY 42 -29.326 1.083 1.083 320 1HA GLY 42 2HA GLY 42 -27.783 0.485 0.485 321 2HA GLY 42 1HA GLY 42 -28.931 -0.587 -0.587 322 H TRP 43 HN TRP 43 -25.658 0.071 0.071 323 HA TRP 43 HA TRP 43 -24.809 -1.614 -1.614 324 1HB TRP 43 2HB TRP 43 -22.528 -0.788 -0.788 325 2HB TRP 43 1HB TRP 43 -23.656 0.508 0.508 326 HD1 TRP 43 1HD TRP 43 -23.947 2.385 2.385 327 HE1 TRP 43 1HE TRP 43 -23.003 2.808 2.808 328 HE3 TRP 43 3HE TRP 43 -21.764 -2.162 -2.162 329 HZ2 TRP 43 2HZ TRP 43 -21.527 1.403 1.403 330 HZ3 TRP 43 3HZ TRP 43 -20.605 -2.541 -2.541 331 HH2 TRP 43 2HH TRP 43 -20.490 -0.794 -0.794 332 H ALA 44 HN ALA 44 -23.149 -3.202 -3.202 333 HA ALA 44 HA ALA 44 -22.869 -4.256 -4.256 334 1HB ALA 44 3HB ALA 44 -24.041 -5.849 -5.849 335 2HB ALA 44 2HB ALA 44 -23.488 -6.542 -6.542 336 3HB ALA 44 1HB ALA 44 -24.838 -5.408 -5.408 337 H ILE 45 HN ILE 45 -21.002 -5.481 -5.481 338 HA ILE 45 HA ILE 45 -19.222 -5.670 -5.670 339 HB ILE 45 HB ILE 45 -18.262 -5.160 -5.160 340 1HG1 ILE 45 2HG1 ILE 45 -19.563 -3.233 -3.233 341 2HG1 ILE 45 1HG1 ILE 45 -17.881 -2.798 -2.798 342 1HG2 ILE 45 2HG2 ILE 45 -17.009 -5.315 -5.315 343 2HG2 ILE 45 1HG2 ILE 45 -16.310 -4.235 -4.235 344 3HG2 ILE 45 3HG2 ILE 45 -16.451 -5.960 -5.960 345 1HD1 ILE 45 2HD1 ILE 45 -18.794 -3.792 -3.792 346 2HD1 ILE 45 1HD1 ILE 45 -20.106 -2.790 -2.790 347 3HD1 ILE 45 3HD1 ILE 45 -18.492 -2.107 -2.107 348 H LYS 46 HN LYS 46 -17.743 -7.386 -7.386 349 HA LYS 46 HA LYS 46 -17.881 -9.445 -9.445 350 1HB LYS 46 2HB LYS 46 -18.958 -9.798 -9.798 351 2HB LYS 46 1HB LYS 46 -18.314 -11.167 -11.167 352 1HG LYS 46 2HG LYS 46 -19.939 -10.437 -10.437 353 2HG LYS 46 1HG LYS 46 -20.728 -9.502 -9.502 354 1HD LYS 46 2HD LYS 46 -21.765 -11.331 -11.331 355 2HD LYS 46 1HD LYS 46 -20.211 -12.126 -12.126 356 1HE LYS 46 2HE LYS 46 -20.225 -12.658 -12.658 357 2HE LYS 46 1HE LYS 46 -21.910 -12.139 -12.139 358 1HZ LYS 46 3HZ LYS 46 -21.653 -13.905 -13.905 359 2HZ LYS 46 2HZ LYS 46 -20.811 -14.614 -14.614 360 3HZ LYS 46 1HZ LYS 46 -22.435 -14.182 -14.182 361 H THR 47 HN THR 47 -16.318 -11.223 -11.223 362 HA THR 47 HA THR 47 -14.190 -10.462 -10.462 363 HB THR 47 HB THR 47 -12.509 -11.030 -11.030 364 HG1 THR 47 1HG THR 47 -13.666 -11.960 -11.960 365 1HG2 THR 47 1HG2 THR 47 -13.506 -8.631 -8.631 366 2HG2 THR 47 3HG2 THR 47 -13.944 -8.688 -8.688 367 3HG2 THR 47 2HG2 THR 47 -12.258 -8.872 -8.872 368 H THR 48 HN THR 48 -12.857 -12.170 -12.170 369 HA THR 48 HA THR 48 -14.056 -14.601 -14.601 370 HB THR 48 HB THR 48 -11.481 -15.345 -15.345 371 HG1 THR 48 1HG THR 48 -10.614 -13.519 -13.519 372 1HG2 THR 48 2HG2 THR 48 -13.268 -14.746 -14.746 373 2HG2 THR 48 1HG2 THR 48 -12.240 -13.324 -13.324 374 3HG2 THR 48 3HG2 THR 48 -11.557 -14.938 -14.938 375 H ASN 49 HN ASN 49 -12.202 -13.575 -13.575 376 HA ASN 49 HA ASN 49 -12.874 -16.107 -16.107 377 1HB ASN 49 2HB ASN 49 -10.198 -14.757 -14.757 378 2HB ASN 49 1HB ASN 49 -10.697 -16.335 -16.335 379 1HD2 ASN 49 2HD2 ASN 49 -10.289 -17.979 -17.979 380 2HD2 ASN 49 1HD2 ASN 49 -11.215 -17.968 -17.968 381 H MET 50 HN MET 50 -14.076 -15.672 -15.672 382 HA MET 50 HA MET 50 -13.974 -13.030 -13.030 383 1HB MET 50 2HB MET 50 -15.804 -15.368 -15.368 384 2HB MET 50 1HB MET 50 -15.975 -13.748 -13.748 385 1HG MET 50 2HG MET 50 -15.817 -13.576 -13.576 386 2HG MET 50 1HG MET 50 -17.029 -14.777 -14.777 387 1HE MET 50 1HE MET 50 -15.553 -11.484 -11.484 388 2HE MET 50 3HE MET 50 -16.905 -10.414 -10.414 389 3HE MET 50 2HE MET 50 -16.518 -10.798 -10.798 390 H ARG 51 HN ARG 51 -11.922 -15.327 -15.327 391 HA ARG 51 HA ARG 51 -12.009 -15.441 -15.441 392 1HB ARG 51 2HB ARG 51 -10.177 -17.112 -17.112 393 2HB ARG 51 1HB ARG 51 -10.776 -17.429 -17.429 394 1HG ARG 51 2HG ARG 51 -13.004 -17.281 -17.281 395 2HG ARG 51 1HG ARG 51 -11.795 -18.354 -18.354 396 1HD ARG 51 2HD ARG 51 -13.184 -19.707 -19.707 397 2HD ARG 51 1HD ARG 51 -11.667 -19.503 -19.503 398 HE ARG 51 HE ARG 51 -13.249 -17.506 -17.506 399 1HH1 ARG 51 1HH2 ARG 51 -13.584 -20.959 -20.959 400 2HH1 ARG 51 2HH2 ARG 51 -14.596 -21.108 -21.108 401 1HH2 ARG 51 1HH1 ARG 51 -14.581 -17.688 -17.688 402 2HH2 ARG 51 2HH1 ARG 51 -15.164 -19.247 -19.247 403 H ARG 52 HN ARG 52 -9.677 -15.137 -15.137 404 HA ARG 52 HA ARG 52 -7.692 -13.961 -13.961 405 1HB ARG 52 2HB ARG 52 -7.738 -14.310 -14.310 406 2HB ARG 52 1HB ARG 52 -6.351 -13.766 -13.766 407 1HG ARG 52 2HG ARG 52 -7.587 -16.347 -16.347 408 2HG ARG 52 1HG ARG 52 -6.667 -16.290 -16.290 409 1HD ARG 52 2HD ARG 52 -4.782 -16.443 -16.443 410 2HD ARG 52 1HD ARG 52 -5.162 -14.917 -14.917 411 HE ARG 52 HE ARG 52 -5.785 -16.083 -16.083 412 1HH1 ARG 52 1HH2 ARG 52 -5.495 -18.278 -18.278 413 2HH1 ARG 52 2HH2 ARG 52 -5.659 -19.700 -19.700 414 1HH2 ARG 52 1HH1 ARG 52 -6.004 -17.947 -17.947 415 2HH2 ARG 52 2HH1 ARG 52 -5.949 -19.512 -19.512 416 H LEU 53 HN LEU 53 -9.892 -12.873 -12.873 417 HA LEU 53 HA LEU 53 -9.090 -10.095 -10.095 418 1HB LEU 53 2HB LEU 53 -10.871 -10.905 -10.905 419 2HB LEU 53 1HB LEU 53 -9.814 -9.513 -9.513 420 HG LEU 53 HG LEU 53 -8.434 -12.118 -12.118 421 1HD1 LEU 53 1HD1 LEU 53 -10.391 -12.323 -12.323 422 2HD1 LEU 53 3HD1 LEU 53 -9.523 -11.131 -11.131 423 3HD1 LEU 53 2HD1 LEU 53 -8.770 -12.681 -12.681 424 1HD2 LEU 53 1HD2 LEU 53 -7.271 -9.956 -9.956 425 2HD2 LEU 53 3HD2 LEU 53 -6.907 -10.916 -10.916 426 3HD2 LEU 53 2HD2 LEU 53 -8.040 -9.568 -9.568 427 H SER 54 HN SER 54 -10.391 -8.883 -8.883 428 HA SER 54 HA SER 54 -13.241 -9.620 -9.620 429 1HB SER 54 2HB SER 54 -11.816 -8.228 -8.228 430 2HB SER 54 1HB SER 54 -13.291 -9.194 -9.194 431 HG SER 54 HG SER 54 -11.480 -10.314 -10.314 432 H VAL 55 HN VAL 55 -14.322 -8.167 -8.167 433 HA VAL 55 HA VAL 55 -13.476 -5.370 -5.370 434 HB VAL 55 HB VAL 55 -15.333 -5.195 -5.195 435 1HG1 VAL 55 2HG1 VAL 55 -12.691 -6.525 -6.525 436 2HG1 VAL 55 1HG1 VAL 55 -13.753 -6.458 -6.458 437 3HG1 VAL 55 3HG1 VAL 55 -13.241 -4.966 -4.966 438 1HG2 VAL 55 3HG2 VAL 55 -16.309 -7.432 -7.432 439 2HG2 VAL 55 2HG2 VAL 55 -16.066 -7.164 -7.164 440 3HG2 VAL 55 1HG2 VAL 55 -14.933 -8.167 -8.167 441 H ASP 56 HN ASP 56 -14.550 -3.842 -3.842 442 HA ASP 56 HA ASP 56 -17.325 -4.329 -4.329 443 1HB ASP 56 2HB ASP 56 -15.005 -3.893 -3.893 444 2HB ASP 56 1HB ASP 56 -16.573 -3.226 -3.226 445 HA PRO 57 HA PRO 57 -18.928 -3.267 -3.267 446 1HB PRO 57 2HB PRO 57 -20.907 -1.681 -1.681 447 2HB PRO 57 1HB PRO 57 -20.633 -1.817 -1.817 448 1HG PRO 57 2HG PRO 57 -20.135 0.453 0.453 449 2HG PRO 57 1HG PRO 57 -19.269 0.020 0.020 450 1HD PRO 57 2HD PRO 57 -18.412 -0.286 -0.286 451 2HD PRO 57 1HD PRO 57 -17.466 0.233 0.233 452 HA PRO 58 HA PRO 58 -19.682 -5.848 -5.848 453 1HB PRO 58 2HB PRO 58 -21.757 -7.325 -7.325 454 2HB PRO 58 1HB PRO 58 -20.112 -7.520 -7.520 455 1HG PRO 58 2HG PRO 58 -22.417 -6.026 -6.026 456 2HG PRO 58 1HG PRO 58 -21.238 -7.085 -7.085 457 1HD PRO 58 2HD PRO 58 -21.069 -4.371 -4.371 458 2HD PRO 58 1HD PRO 58 -19.647 -5.431 -5.431 459 H CYS 59 HN CYS 59 -21.991 -3.577 -3.577 460 HA CYS 59 HA CYS 59 -23.091 -3.180 -3.180 461 1HB CYS 59 2HB CYS 59 -25.441 -3.840 -3.840 462 2HB CYS 59 1HB CYS 59 -24.337 -5.205 -5.205 463 HG CYS 59 HG CYS 59 -24.359 -4.900 -4.900 464 H GLY 60 HN GLY 60 -24.704 -1.462 -1.462 465 1HA GLY 60 2HA GLY 60 -25.636 -0.098 -0.098 466 2HA GLY 60 1HA GLY 60 -24.080 0.603 0.603 467 H VAL 61 HN VAL 61 -26.800 1.750 1.750 468 HA VAL 61 HA VAL 61 -27.313 2.136 2.136 469 HB VAL 61 HB VAL 61 -28.723 3.430 3.430 470 1HG1 VAL 61 1HG1 VAL 61 -28.850 4.216 4.216 471 2HG1 VAL 61 3HG1 VAL 61 -30.027 2.905 2.905 472 3HG1 VAL 61 2HG1 VAL 61 -30.259 4.233 4.233 473 1HG2 VAL 61 3HG2 VAL 61 -29.013 0.742 0.742 474 2HG2 VAL 61 2HG2 VAL 61 -29.226 1.248 1.248 475 3HG2 VAL 61 1HG2 VAL 61 -30.478 1.598 1.598 476 H LEU 62 HN LEU 62 -26.595 3.808 3.808 477 HA LEU 62 HA LEU 62 -25.144 5.933 5.933 478 1HB LEU 62 2HB LEU 62 -24.673 4.467 4.467 479 2HB LEU 62 1HB LEU 62 -24.996 6.114 6.114 480 HG LEU 62 HG LEU 62 -23.115 5.907 5.907 481 1HD1 LEU 62 3HD1 LEU 62 -22.688 4.381 4.381 482 2HD1 LEU 62 2HD1 LEU 62 -21.335 5.353 5.353 483 3HD1 LEU 62 1HD1 LEU 62 -22.043 4.118 4.118 484 1HD2 LEU 62 2HD2 LEU 62 -23.831 7.797 7.797 485 2HD2 LEU 62 1HD2 LEU 62 -22.347 7.824 7.824 486 3HD2 LEU 62 3HD2 LEU 62 -22.329 7.185 7.185 487 H ASP 63 HN ASP 63 -25.318 8.151 8.151 488 HA ASP 63 HA ASP 63 -28.107 8.719 8.719 489 1HB ASP 63 2HB ASP 63 -26.449 9.794 9.794 490 2HB ASP 63 1HB ASP 63 -27.054 11.069 11.069 491 HA PRO 64 HA PRO 64 -26.941 10.953 10.953 492 1HB PRO 64 2HB PRO 64 -27.949 13.505 13.505 493 2HB PRO 64 1HB PRO 64 -28.404 12.679 12.679 494 1HG PRO 64 2HG PRO 64 -30.027 12.670 12.670 495 2HG PRO 64 1HG PRO 64 -29.859 11.237 11.237 496 1HD PRO 64 2HD PRO 64 -28.690 11.778 11.778 497 2HD PRO 64 1HD PRO 64 -29.337 10.265 10.265 498 H LYS 65 HN LYS 65 -24.801 11.214 11.214 499 HA LYS 65 HA LYS 65 -22.728 12.152 12.152 500 1HB LYS 65 2HB LYS 65 -24.421 14.245 14.245 501 2HB LYS 65 1HB LYS 65 -23.611 14.670 14.670 502 1HG LYS 65 2HG LYS 65 -21.437 14.453 14.453 503 2HG LYS 65 1HG LYS 65 -22.308 14.154 14.154 504 1HD LYS 65 2HD LYS 65 -21.944 16.414 16.414 505 2HD LYS 65 1HD LYS 65 -23.517 16.402 16.402 506 1HE LYS 65 2HE LYS 65 -22.228 17.958 17.958 507 2HE LYS 65 1HE LYS 65 -22.234 16.499 16.499 508 1HZ LYS 65 3HZ LYS 65 -20.054 16.284 16.284 509 2HZ LYS 65 2HZ LYS 65 -20.032 17.878 17.878 510 3HZ LYS 65 1HZ LYS 65 -20.035 16.591 16.591 511 H GLU 66 HN GLU 66 -23.583 10.641 10.641 512 HA GLU 66 HA GLU 66 -22.230 12.006 12.006 513 1HB GLU 66 2HB GLU 66 -24.405 10.061 10.061 514 2HB GLU 66 1HB GLU 66 -23.189 9.621 9.621 515 1HG GLU 66 2HG GLU 66 -23.785 12.392 12.392 516 2HG GLU 66 1HG GLU 66 -25.293 11.480 11.480 517 H LYS 67 HN LYS 67 -20.644 10.870 10.870 518 HA LYS 67 HA LYS 67 -19.144 8.920 8.920 519 1HB LYS 67 2HB LYS 67 -18.282 11.046 11.046 520 2HB LYS 67 1HB LYS 67 -17.230 9.683 9.683 521 1HG LYS 67 2HG LYS 67 -16.882 10.343 10.343 522 2HG LYS 67 1HG LYS 67 -18.382 11.269 11.269 523 1HD LYS 67 2HD LYS 67 -16.778 12.936 12.936 524 2HD LYS 67 1HD LYS 67 -17.247 12.757 12.757 525 1HE LYS 67 2HE LYS 67 -14.997 12.678 12.678 526 2HE LYS 67 1HE LYS 67 -15.272 10.970 10.970 527 1HZ LYS 67 3HZ LYS 67 -14.942 12.417 12.417 528 2HZ LYS 67 2HZ LYS 67 -13.630 12.705 12.705 529 3HZ LYS 67 1HZ LYS 67 -14.034 11.120 11.120 530 H VAL 68 HN VAL 68 -17.910 7.301 7.301 531 HA VAL 68 HA VAL 68 -18.875 6.609 6.609 532 HB VAL 68 HB VAL 68 -18.870 4.512 4.512 533 1HG1 VAL 68 3HG1 VAL 68 -19.972 4.683 4.683 534 2HG1 VAL 68 2HG1 VAL 68 -20.430 3.415 3.415 535 3HG1 VAL 68 1HG1 VAL 68 -18.750 3.575 3.575 536 1HG2 VAL 68 1HG2 VAL 68 -21.083 6.369 6.369 537 2HG2 VAL 68 3HG2 VAL 68 -20.521 5.958 5.958 538 3HG2 VAL 68 2HG2 VAL 68 -21.415 4.771 4.771 539 H LEU 69 HN LEU 69 -17.504 5.145 5.145 540 HA LEU 69 HA LEU 69 -14.816 4.949 4.949 541 1HB LEU 69 2HB LEU 69 -15.308 6.325 6.325 542 2HB LEU 69 1HB LEU 69 -15.352 4.758 4.758 543 HG LEU 69 HG LEU 69 -13.055 4.316 4.316 544 1HD1 LEU 69 3HD1 LEU 69 -13.526 6.673 6.673 545 2HD1 LEU 69 2HD1 LEU 69 -11.956 6.628 6.628 546 3HD1 LEU 69 1HD1 LEU 69 -12.451 5.295 5.295 547 1HD2 LEU 69 1HD2 LEU 69 -13.602 6.906 6.906 548 2HD2 LEU 69 3HD2 LEU 69 -13.183 5.337 5.337 549 3HD2 LEU 69 2HD2 LEU 69 -11.967 6.272 6.272 550 H MET 70 HN MET 70 -14.035 3.010 3.010 551 HA MET 70 HA MET 70 -15.193 0.676 0.676 552 1HB MET 70 2HB MET 70 -15.596 1.131 1.131 553 2HB MET 70 1HB MET 70 -14.019 0.363 0.363 554 1HG MET 70 2HG MET 70 -15.354 -1.326 -1.326 555 2HG MET 70 1HG MET 70 -16.631 -0.790 -0.790 556 1HE MET 70 3HE MET 70 -14.786 -0.073 -0.073 557 2HE MET 70 2HE MET 70 -14.598 -1.519 -1.519 558 3HE MET 70 1HE MET 70 -16.202 -1.020 -1.020 559 H ALA 71 HN ALA 71 -13.755 -1.172 -1.172 560 HA ALA 71 HA ALA 71 -10.901 -0.506 -0.506 561 1HB ALA 71 2HB ALA 71 -12.270 -1.622 -1.622 562 2HB ALA 71 1HB ALA 71 -10.527 -1.451 -1.451 563 3HB ALA 71 3HB ALA 71 -11.556 -0.018 -0.018 564 H VAL 72 HN VAL 72 -9.611 -2.136 -2.136 565 HA VAL 72 HA VAL 72 -10.849 -4.790 -4.790 566 HB VAL 72 HB VAL 72 -8.615 -3.569 -3.569 567 1HG1 VAL 72 2HG1 VAL 72 -9.190 -6.232 -6.232 568 2HG1 VAL 72 1HG1 VAL 72 -10.035 -5.859 -5.859 569 3HG1 VAL 72 3HG1 VAL 72 -8.302 -5.558 -5.558 570 1HG2 VAL 72 3HG2 VAL 72 -11.556 -3.594 -3.594 571 2HG2 VAL 72 2HG2 VAL 72 -10.365 -2.412 -2.412 572 3HG2 VAL 72 1HG2 VAL 72 -10.596 -3.908 -3.908 573 H SER 73 HN SER 73 -10.195 -5.651 -5.651 574 HA SER 73 HA SER 73 -7.537 -5.454 -5.454 575 1HB SER 73 2HB SER 73 -9.318 -7.712 -7.712 576 2HB SER 73 1HB SER 73 -8.271 -6.698 -6.698 577 HG SER 73 HG SER 73 -9.788 -4.982 -4.982 578 H CYS 74 HN CYS 74 -5.785 -6.620 -6.620 579 HA CYS 74 HA CYS 74 -6.103 -9.183 -9.183 580 1HB CYS 74 2HB CYS 74 -5.425 -7.247 -7.247 581 2HB CYS 74 1HB CYS 74 -3.900 -7.222 -7.222 582 HG CYS 74 HG CYS 74 -4.133 -9.965 -9.965 583 H ASP 75 HN ASP 75 -4.722 -10.799 -10.799 584 HA ASP 75 HA ASP 75 -2.934 -10.172 -10.172 585 1HB ASP 75 2HB ASP 75 -4.600 -12.577 -12.577 586 2HB ASP 75 1HB ASP 75 -3.178 -12.748 -12.748 587 H THR 76 HN THR 76 -0.905 -11.219 -11.219 588 HA THR 76 HA THR 76 0.587 -11.272 -11.272 589 HB THR 76 HB THR 76 2.389 -12.009 -12.009 590 HG1 THR 76 1HG THR 76 2.239 -13.496 -13.496 591 1HG2 THR 76 1HG2 THR 76 1.294 -9.893 -9.893 592 2HG2 THR 76 3HG2 THR 76 0.657 -10.896 -10.896 593 3HG2 THR 76 2HG2 THR 76 2.399 -10.735 -10.735 594 H PHE 77 HN PHE 77 0.336 -12.607 -12.607 595 HA PHE 77 HA PHE 77 -0.139 -15.460 -15.460 596 1HB PHE 77 2HB PHE 77 -1.456 -15.638 -15.638 597 2HB PHE 77 1HB PHE 77 -2.037 -14.217 -14.217 598 HD1 PHE 77 2HD PHE 77 -1.346 -11.947 -11.947 599 HD2 PHE 77 1HD PHE 77 -0.603 -15.483 -15.483 600 HE1 PHE 77 2HE PHE 77 -1.006 -10.586 -10.586 601 HE2 PHE 77 1HE PHE 77 -0.263 -14.130 -14.130 602 HZ PHE 77 HZ PHE 77 -0.465 -11.677 -11.677 603 H ASN 78 HN ASN 78 0.328 -16.592 -16.592 604 HA ASN 78 HA ASN 78 3.115 -15.859 -15.859 605 1HB ASN 78 2HB ASN 78 1.875 -18.465 -18.465 606 2HB ASN 78 1HB ASN 78 3.048 -18.482 -18.482 607 1HD2 ASN 78 2HD2 ASN 78 4.293 -17.402 -17.402 608 2HD2 ASN 78 1HD2 ASN 78 2.682 -17.059 -17.059 609 H ALA 79 HN ALA 79 3.538 -15.392 -15.392 610 HA ALA 79 HA ALA 79 1.498 -16.030 -16.030 611 1HB ALA 79 2HB ALA 79 2.190 -13.624 -13.624 612 2HB ALA 79 1HB ALA 79 3.706 -14.027 -14.027 613 3HB ALA 79 3HB ALA 79 2.181 -14.145 -14.145 614 H ALA 80 HN ALA 80 3.852 -17.711 -17.711 615 HA ALA 80 HA ALA 80 5.472 -17.995 -17.995 616 1HB ALA 80 2HB ALA 80 5.920 -18.451 -18.451 617 2HB ALA 80 1HB ALA 80 5.912 -20.049 -20.049 618 3HB ALA 80 3HB ALA 80 7.015 -18.804 -18.804 619 H THR 81 HN THR 81 2.754 -19.483 -19.483 620 HA THR 81 HA THR 81 2.643 -21.448 -21.448 621 HB THR 81 HB THR 81 1.890 -23.178 -23.178 622 HG1 THR 81 1HG THR 81 2.481 -21.275 -21.275 623 1HG2 THR 81 2HG2 THR 81 4.326 -22.891 -22.891 624 2HG2 THR 81 1HG2 THR 81 4.449 -22.006 -22.006 625 3HG2 THR 81 3HG2 THR 81 3.945 -23.698 -23.698 626 H GLU 82 HN GLU 82 1.293 -18.882 -18.882 627 HA GLU 82 HA GLU 82 -1.449 -19.858 -19.858 628 1HB GLU 82 2HB GLU 82 -0.583 -17.684 -17.684 629 2HB GLU 82 1HB GLU 82 -2.252 -17.933 -17.933 630 1HG GLU 82 2HG GLU 82 -1.539 -20.429 -20.429 631 2HG GLU 82 1HG GLU 82 -0.616 -19.404 -19.404 632 H ASP 83 HN ASP 83 -2.461 -18.952 -18.952 633 HA ASP 83 HA ASP 83 -1.177 -17.239 -17.239 634 1HB ASP 83 2HB ASP 83 -4.036 -18.084 -18.084 635 2HB ASP 83 1HB ASP 83 -3.618 -16.875 -16.875 636 H LEU 84 HN LEU 84 -1.417 -15.050 -15.050 637 HA LEU 84 HA LEU 84 -2.583 -13.426 -13.426 638 1HB LEU 84 2HB LEU 84 -0.222 -12.773 -12.773 639 2HB LEU 84 1HB LEU 84 -0.896 -11.718 -11.718 640 HG LEU 84 HG LEU 84 0.591 -14.305 -14.305 641 1HD1 LEU 84 3HD1 LEU 84 1.539 -11.790 -11.790 642 2HD1 LEU 84 2HD1 LEU 84 1.221 -11.864 -11.864 643 3HD1 LEU 84 1HD1 LEU 84 2.292 -13.046 -13.046 644 1HD2 LEU 84 1HD2 LEU 84 -0.986 -12.717 -12.717 645 2HD2 LEU 84 3HD2 LEU 84 -1.315 -14.364 -14.364 646 3HD2 LEU 84 2HD2 LEU 84 0.144 -14.014 -14.014 647 H ASN 85 HN ASN 85 -4.153 -14.284 -14.284 648 HA ASN 85 HA ASN 85 -4.861 -11.715 -11.715 649 1HB ASN 85 2HB ASN 85 -3.332 -13.282 -13.282 650 2HB ASN 85 1HB ASN 85 -4.893 -14.017 -14.017 651 1HD2 ASN 85 2HD2 ASN 85 -4.631 -11.562 -11.562 652 2HD2 ASN 85 1HD2 ASN 85 -4.087 -13.145 -13.145 653 H ASN 86 HN ASN 86 -5.941 -13.663 -13.663 654 HA ASN 86 HA ASN 86 -8.538 -14.176 -14.176 655 1HB ASN 86 2HB ASN 86 -7.293 -15.674 -15.674 656 2HB ASN 86 1HB ASN 86 -8.864 -16.013 -16.013 657 1HD2 ASN 86 2HD2 ASN 86 -7.215 -17.047 -17.047 658 2HD2 ASN 86 1HD2 ASN 86 -8.329 -15.813 -15.813 659 H ASP 87 HN ASP 87 -6.915 -12.447 -12.447 660 HA ASP 87 HA ASP 87 -9.105 -12.197 -12.197 661 1HB ASP 87 2HB ASP 87 -6.364 -11.181 -11.181 662 2HB ASP 87 1HB ASP 87 -7.488 -10.026 -10.026 663 H ARG 88 HN ARG 88 -10.909 -11.138 -11.138 664 HA ARG 88 HA ARG 88 -10.756 -8.489 -8.489 665 1HB ARG 88 2HB ARG 88 -12.210 -10.822 -10.822 666 2HB ARG 88 1HB ARG 88 -12.770 -9.177 -9.177 667 1HG ARG 88 2HG ARG 88 -11.256 -8.865 -8.865 668 2HG ARG 88 1HG ARG 88 -9.952 -9.330 -9.330 669 1HD ARG 88 2HD ARG 88 -9.858 -10.831 -10.831 670 2HD ARG 88 1HD ARG 88 -10.558 -11.728 -11.728 671 HE ARG 88 HE ARG 88 -12.527 -10.523 -10.523 672 1HH1 ARG 88 1HH2 ARG 88 -10.460 -13.288 -13.288 673 2HH1 ARG 88 2HH2 ARG 88 -11.457 -14.351 -14.351 674 1HH2 ARG 88 1HH1 ARG 88 -13.849 -11.915 -11.915 675 2HH2 ARG 88 2HH1 ARG 88 -13.384 -13.570 -13.570 676 H ILE 89 HN ILE 89 -12.229 -7.105 -7.105 677 HA ILE 89 HA ILE 89 -14.084 -8.178 -8.178 678 HB ILE 89 HB ILE 89 -13.310 -5.296 -5.296 679 1HG1 ILE 89 2HG1 ILE 89 -12.190 -7.360 -7.360 680 2HG1 ILE 89 1HG1 ILE 89 -11.324 -6.499 -6.499 681 1HG2 ILE 89 1HG2 ILE 89 -15.474 -6.185 -6.185 682 2HG2 ILE 89 3HG2 ILE 89 -14.290 -6.254 -6.254 683 3HG2 ILE 89 2HG2 ILE 89 -14.590 -4.732 -4.732 684 1HD1 ILE 89 1HD1 ILE 89 -11.824 -4.382 -4.382 685 2HD1 ILE 89 3HD1 ILE 89 -12.369 -5.414 -5.414 686 3HD1 ILE 89 2HD1 ILE 89 -10.698 -5.504 -5.504 687 H THR 90 HN THR 90 -16.021 -8.658 -8.658 688 HA THR 90 HA THR 90 -17.107 -7.380 -7.380 689 HB THR 90 HB THR 90 -18.408 -9.189 -9.189 690 HG1 THR 90 1HG THR 90 -17.941 -10.799 -10.799 691 1HG2 THR 90 2HG2 THR 90 -19.450 -7.976 -7.976 692 2HG2 THR 90 1HG2 THR 90 -19.835 -9.668 -9.668 693 3HG2 THR 90 3HG2 THR 90 -20.288 -8.425 -8.425 694 H ILE 91 HN ILE 91 -18.096 -5.495 -5.495 695 HA ILE 91 HA ILE 91 -19.272 -4.368 -4.368 696 HB ILE 91 HB ILE 91 -18.540 -2.781 -2.781 697 1HG1 ILE 91 2HG1 ILE 91 -16.507 -3.889 -3.889 698 2HG1 ILE 91 1HG1 ILE 91 -16.440 -2.182 -2.182 699 1HG2 ILE 91 3HG2 ILE 91 -19.594 -2.213 -2.213 700 2HG2 ILE 91 2HG2 ILE 91 -18.242 -1.183 -1.183 701 3HG2 ILE 91 1HG2 ILE 91 -19.686 -1.265 -1.265 702 1HD1 ILE 91 1HD1 ILE 91 -17.243 -2.873 -2.873 703 2HD1 ILE 91 3HD1 ILE 91 -16.906 -4.531 -4.531 704 3HD1 ILE 91 2HD1 ILE 91 -15.602 -3.344 -3.344 705 H GLU 92 HN GLU 92 -21.287 -3.335 -3.335 706 HA GLU 92 HA GLU 92 -22.827 -3.539 -3.539 707 1HB GLU 92 2HB GLU 92 -23.948 -4.745 -4.745 708 2HB GLU 92 1HB GLU 92 -24.563 -4.882 -4.882 709 1HG GLU 92 2HG GLU 92 -22.387 -6.109 -6.109 710 2HG GLU 92 1HG GLU 92 -22.183 -6.227 -6.227 711 H TRP 93 HN TRP 93 -24.893 -2.434 -2.434 712 HA TRP 93 HA TRP 93 -25.735 -0.910 -0.910 713 1HB TRP 93 2HB TRP 93 -24.938 1.276 1.276 714 2HB TRP 93 1HB TRP 93 -23.521 0.237 0.237 715 HD1 TRP 93 1HD TRP 93 -25.494 2.730 2.730 716 HE1 TRP 93 1HE TRP 93 -24.433 3.032 3.032 717 HE3 TRP 93 3HE TRP 93 -22.232 -1.207 -1.207 718 HZ2 TRP 93 2HZ TRP 93 -22.474 1.769 1.769 719 HZ3 TRP 93 3HZ TRP 93 -20.802 -1.591 -1.591 720 HH2 TRP 93 2HH TRP 93 -20.922 -0.132 -0.132 721 H THR 94 HN THR 94 -27.813 -0.565 -0.565 722 HA THR 94 HA THR 94 -28.691 0.102 0.102 723 HB THR 94 HB THR 94 -29.046 -2.325 -2.325 724 HG1 THR 94 1HG THR 94 -30.543 -0.912 -0.912 725 1HG2 THR 94 1HG2 THR 94 -29.566 -1.927 -1.927 726 2HG2 THR 94 3HG2 THR 94 -31.213 -1.680 -1.680 727 3HG2 THR 94 2HG2 THR 94 -30.393 -3.210 -3.210 728 H ASN 95 HN ASN 95 -30.202 1.665 1.665 729 HA ASN 95 HA ASN 95 -30.729 3.320 3.320 730 1HB ASN 95 2HB ASN 95 -32.590 4.239 4.239 731 2HB ASN 95 1HB ASN 95 -30.971 4.246 4.246 732 1HD2 ASN 95 2HD2 ASN 95 -32.875 3.014 3.014 733 2HD2 ASN 95 1HD2 ASN 95 -32.401 4.473 4.473 734 H THR 96 HN THR 96 -31.828 2.832 2.832 735 HA THR 96 HA THR 96 -33.612 0.703 0.703 736 HB THR 96 HB THR 96 -34.038 1.508 1.508 737 HG1 THR 96 1HG THR 96 -33.525 4.037 4.037 738 1HG2 THR 96 1HG2 THR 96 -31.494 1.240 1.240 739 2HG2 THR 96 3HG2 THR 96 -31.468 2.928 2.928 740 3HG2 THR 96 2HG2 THR 96 -31.976 1.675 1.675 741 HA PRO 97 HA PRO 97 -37.481 1.887 1.887 742 1HB PRO 97 2HB PRO 97 -38.649 1.073 1.073 743 2HB PRO 97 1HB PRO 97 -39.094 0.570 0.570 744 1HG PRO 97 2HG PRO 97 -37.708 -1.057 -1.057 745 2HG PRO 97 1HG PRO 97 -37.351 -0.954 -0.954 746 1HD PRO 97 2HD PRO 97 -35.854 0.181 0.181 747 2HD PRO 97 1HD PRO 97 -35.240 -0.468 -0.468 748 H ASP 98 HN ASP 98 -39.305 3.326 3.326 749 HA ASP 98 HA ASP 98 -38.656 5.848 5.848 750 1HB ASP 98 2HB ASP 98 -41.342 4.502 4.502 751 2HB ASP 98 1HB ASP 98 -41.186 6.207 6.207 752 H GLY 99 HN GLY 99 -38.091 6.596 6.596 753 1HA GLY 99 2HA GLY 99 -37.916 6.819 6.819 754 2HA GLY 99 1HA GLY 99 -39.667 6.687 6.687 755 H ALA 100 HN ALA 100 -37.106 4.302 4.302 756 HA ALA 100 HA ALA 100 -38.427 2.165 2.165 757 1HB ALA 100 1HB ALA 100 -35.980 2.572 2.572 758 2HB ALA 100 3HB ALA 100 -35.596 1.802 1.802 759 3HB ALA 100 2HB ALA 100 -36.737 1.039 1.039 760 H ALA 101 HN ALA 101 -37.596 0.930 0.930 761 HA ALA 101 HA ALA 101 -37.782 2.540 2.540 762 1HB ALA 101 1HB ALA 101 -38.553 0.190 0.190 763 2HB ALA 101 3HB ALA 101 -36.864 -0.323 -0.323 764 3HB ALA 101 2HB ALA 101 -37.501 0.507 0.507 765 H LYS 102 HN LYS 102 -36.228 2.465 2.465 766 HA LYS 102 HA LYS 102 -33.580 3.158 3.158 767 1HB LYS 102 2HB LYS 102 -35.167 4.277 4.277 768 2HB LYS 102 1HB LYS 102 -34.065 3.309 3.309 769 1HG LYS 102 2HG LYS 102 -32.794 4.926 4.926 770 2HG LYS 102 1HG LYS 102 -33.571 5.836 5.836 771 1HD LYS 102 2HD LYS 102 -32.306 4.210 4.210 772 2HD LYS 102 1HD LYS 102 -31.307 3.879 3.879 773 1HE LYS 102 2HE LYS 102 -30.095 5.649 5.649 774 2HE LYS 102 1HE LYS 102 -31.446 6.631 6.631 775 1HZ LYS 102 2HZ LYS 102 -31.737 5.615 5.615 776 2HZ LYS 102 1HZ LYS 102 -30.455 6.701 6.701 777 3HZ LYS 102 3HZ LYS 102 -32.029 7.166 7.166 778 H GLN 103 HN GLN 103 -33.268 0.855 0.855 779 HA GLN 103 HA GLN 103 -31.452 -0.349 -0.349 780 1HB GLN 103 2HB GLN 103 -32.918 -2.485 -2.485 781 2HB GLN 103 1HB GLN 103 -33.075 -1.123 -1.123 782 1HG GLN 103 2HG GLN 103 -35.201 -0.798 -0.798 783 2HG GLN 103 1HG GLN 103 -34.859 -0.904 -0.904 784 1HE2 GLN 103 2HE2 GLN 103 -36.760 -3.861 -3.861 785 2HE2 GLN 103 1HE2 GLN 103 -36.543 -2.270 -2.270 786 H PHE 104 HN PHE 104 -30.178 -1.682 -1.682 787 HA PHE 104 HA PHE 104 -30.409 -1.953 -1.953 788 1HB PHE 104 2HB PHE 104 -28.329 -2.308 -2.308 789 2HB PHE 104 1HB PHE 104 -28.960 -3.883 -3.883 790 HD1 PHE 104 1HD PHE 104 -28.632 -1.975 -1.975 791 HD2 PHE 104 2HD PHE 104 -27.971 -5.621 -5.621 792 HE1 PHE 104 1HE PHE 104 -27.662 -2.960 -2.960 793 HE2 PHE 104 2HE PHE 104 -26.999 -6.615 -6.615 794 HZ PHE 104 HZ PHE 104 -26.844 -5.283 -5.283 795 H ARG 105 HN ARG 105 -30.890 -3.741 -3.741 796 HA ARG 105 HA ARG 105 -32.524 -5.862 -5.862 797 1HB ARG 105 2HB ARG 105 -33.336 -4.214 -4.214 798 2HB ARG 105 1HB ARG 105 -34.201 -5.616 -5.616 799 1HG ARG 105 2HG ARG 105 -33.696 -3.353 -3.353 800 2HG ARG 105 1HG ARG 105 -34.932 -3.163 -3.163 801 1HD ARG 105 2HD ARG 105 -34.799 -5.408 -5.408 802 2HD ARG 105 1HD ARG 105 -35.860 -4.004 -4.004 803 HE ARG 105 HE ARG 105 -36.232 -5.346 -5.346 804 1HH1 ARG 105 1HH2 ARG 105 -36.925 -5.614 -5.614 805 2HH1 ARG 105 2HH2 ARG 105 -38.359 -6.558 -6.558 806 1HH2 ARG 105 1HH1 ARG 105 -38.120 -6.588 -6.588 807 2HH2 ARG 105 2HH1 ARG 105 -39.038 -7.112 -7.112 808 H ARG 106 HN ARG 106 -32.496 -7.819 -7.819 809 HA ARG 106 HA ARG 106 -30.283 -8.144 -8.144 810 1HB ARG 106 2HB ARG 106 -31.183 -9.663 -9.663 811 2HB ARG 106 1HB ARG 106 -31.834 -10.531 -10.531 812 1HG ARG 106 2HG ARG 106 -29.555 -10.597 -10.597 813 2HG ARG 106 1HG ARG 106 -28.946 -9.851 -9.851 814 1HD ARG 106 2HD ARG 106 -28.737 -11.897 -11.897 815 2HD ARG 106 1HD ARG 106 -30.497 -11.991 -11.991 816 HE ARG 106 HE ARG 106 -29.432 -12.687 -12.687 817 1HH1 ARG 106 1HH2 ARG 106 -29.989 -13.885 -13.885 818 2HH1 ARG 106 2HH2 ARG 106 -30.075 -15.543 -15.543 819 1HH2 ARG 106 1HH1 ARG 106 -29.542 -14.867 -14.867 820 2HH2 ARG 106 2HH1 ARG 106 -29.820 -16.103 -16.103 821 H GLU 107 HN GLU 107 -33.754 -8.220 -8.220 822 HA GLU 107 HA GLU 107 -34.153 -9.662 -9.662 823 1HB GLU 107 2HB GLU 107 -35.769 -8.467 -8.467 824 2HB GLU 107 1HB GLU 107 -36.243 -7.739 -7.739 825 1HG GLU 107 2HG GLU 107 -36.372 -10.136 -10.136 826 2HG GLU 107 1HG GLU 107 -36.324 -10.621 -10.621 827 H TRP 108 HN TRP 108 -33.084 -6.464 -6.464 828 HA TRP 108 HA TRP 108 -34.038 -5.068 -5.068 829 1HB TRP 108 2HB TRP 108 -31.533 -4.838 -4.838 830 2HB TRP 108 1HB TRP 108 -31.792 -3.790 -3.790 831 HD1 TRP 108 1HD TRP 108 -35.129 -3.990 -3.990 832 HE1 TRP 108 1HE TRP 108 -35.795 -2.182 -2.182 833 HE3 TRP 108 3HE TRP 108 -30.465 -2.566 -2.566 834 HZ2 TRP 108 2HZ TRP 108 -34.513 -0.389 -0.389 835 HZ3 TRP 108 3HZ TRP 108 -30.272 -0.797 -0.797 836 HH2 TRP 108 2HH TRP 108 -32.255 0.268 0.268 837 H PHE 109 HN PHE 109 -31.762 -7.644 -7.644 838 HA PHE 109 HA PHE 109 -30.996 -7.114 -7.114 839 1HB PHE 109 2HB PHE 109 -29.461 -8.728 -8.728 840 2HB PHE 109 1HB PHE 109 -28.944 -8.358 -8.358 841 HD1 PHE 109 1HD PHE 109 -29.810 -6.775 -6.775 842 HD2 PHE 109 2HD PHE 109 -27.714 -6.436 -6.436 843 HE1 PHE 109 1HE PHE 109 -28.720 -4.725 -4.725 844 HE2 PHE 109 2HE PHE 109 -26.619 -4.386 -4.386 845 HZ PHE 109 HZ PHE 109 -27.122 -3.527 -3.527 846 H GLN 110 HN GLN 110 -33.414 -8.339 -8.339 847 HA GLN 110 HA GLN 110 -32.888 -11.167 -11.167 848 1HB GLN 110 2HB GLN 110 -35.020 -11.727 -11.727 849 2HB GLN 110 1HB GLN 110 -34.216 -10.692 -10.692 850 1HG GLN 110 2HG GLN 110 -36.081 -9.495 -9.495 851 2HG GLN 110 1HG GLN 110 -35.625 -8.914 -8.914 852 1HE2 GLN 110 2HE2 GLN 110 -38.788 -10.013 -10.013 853 2HE2 GLN 110 1HE2 GLN 110 -37.772 -8.664 -8.664 854 H GLY 111 HN GLY 111 -34.509 -8.233 -8.233 855 1HA GLY 111 2HA GLY 111 -35.594 -9.611 -9.611 856 2HA GLY 111 1HA GLY 111 -36.159 -8.067 -8.067 857 H ASP 112 HN ASP 112 -35.175 -8.909 -8.909 858 HA ASP 112 HA ASP 112 -32.670 -7.534 -7.534 859 1HB ASP 112 2HB ASP 112 -34.373 -9.278 -9.278 860 2HB ASP 112 1HB ASP 112 -33.875 -7.881 -7.881 861 H GLY 113 HN GLY 113 -32.380 -5.681 -5.681 862 1HA GLY 113 2HA GLY 113 -33.709 -3.968 -3.968 863 2HA GLY 113 1HA GLY 113 -34.670 -3.837 -3.837 864 H MET 114 HN MET 114 -33.830 -2.766 -2.766 865 HA MET 114 HA MET 114 -31.562 -1.019 -1.019 866 1HB MET 114 2HB MET 114 -33.699 -0.815 -0.815 867 2HB MET 114 1HB MET 114 -32.377 0.327 0.327 868 1HG MET 114 2HG MET 114 -33.991 1.429 1.429 869 2HG MET 114 1HG MET 114 -33.317 0.467 0.467 870 1HE MET 114 1HE MET 114 -35.547 1.761 1.761 871 2HE MET 114 3HE MET 114 -36.690 0.593 0.593 872 3HE MET 114 2HE MET 114 -37.062 1.434 1.434 873 H VAL 115 HN VAL 115 -29.690 -1.875 -1.875 874 HA VAL 115 HA VAL 115 -28.904 -2.110 -2.110 875 HB VAL 115 HB VAL 115 -30.344 -4.065 -4.065 876 1HG1 VAL 115 3HG1 VAL 115 -29.959 -4.523 -4.523 877 2HG1 VAL 115 2HG1 VAL 115 -28.713 -5.604 -5.604 878 3HG1 VAL 115 1HG1 VAL 115 -30.392 -5.821 -5.821 879 1HG2 VAL 115 2HG2 VAL 115 -27.798 -3.923 -3.923 880 2HG2 VAL 115 1HG2 VAL 115 -28.869 -5.278 -5.278 881 3HG2 VAL 115 3HG2 VAL 115 -27.714 -5.393 -5.393 882 H ARG 116 HN ARG 116 -26.758 -1.879 -1.879 883 HA ARG 116 HA ARG 116 -25.285 -2.866 -2.866 884 1HB ARG 116 2HB ARG 116 -25.575 -0.243 -0.243 885 2HB ARG 116 1HB ARG 116 -24.032 -0.679 -0.679 886 1HG ARG 116 2HG ARG 116 -23.278 0.004 0.004 887 2HG ARG 116 1HG ARG 116 -23.625 -1.676 -1.676 888 1HD ARG 116 2HD ARG 116 -25.785 0.356 0.356 889 2HD ARG 116 1HD ARG 116 -24.502 0.303 0.303 890 HE ARG 116 HE ARG 116 -25.569 -2.285 -2.285 891 1HH1 ARG 116 1HH2 ARG 116 -26.260 0.745 0.745 892 2HH1 ARG 116 2HH2 ARG 116 -27.274 0.035 0.035 893 1HH2 ARG 116 1HH1 ARG 116 -26.904 -3.232 -3.232 894 2HH2 ARG 116 2HH1 ARG 116 -27.642 -2.226 -2.226 895 H ARG 117 HN ARG 117 -23.051 -3.441 -3.441 896 HA ARG 117 HA ARG 117 -22.047 -3.786 -3.786 897 1HB ARG 117 2HB ARG 117 -21.992 -6.222 -6.222 898 2HB ARG 117 1HB ARG 117 -23.650 -5.647 -5.647 899 1HG ARG 117 2HG ARG 117 -22.744 -5.974 -5.974 900 2HG ARG 117 1HG ARG 117 -22.242 -7.408 -7.408 901 1HD ARG 117 2HD ARG 117 -25.039 -6.285 -6.285 902 2HD ARG 117 1HD ARG 117 -24.502 -7.584 -7.584 903 HE ARG 117 HE ARG 117 -23.951 -8.177 -8.177 904 1HH1 ARG 117 1HH2 ARG 117 -26.497 -8.098 -8.098 905 2HH1 ARG 117 2HH2 ARG 117 -27.444 -9.318 -9.318 906 1HH2 ARG 117 1HH1 ARG 117 -25.188 -9.788 -9.788 907 2HH2 ARG 117 2HH1 ARG 117 -26.700 -10.279 -10.279 908 H LYS 118 HN LYS 118 -19.914 -3.584 -3.584 909 HA LYS 118 HA LYS 118 -18.515 -4.620 -4.620 910 1HB LYS 118 2HB LYS 118 -17.119 -2.632 -2.632 911 2HB LYS 118 1HB LYS 118 -18.812 -2.190 -2.190 912 1HG LYS 118 2HG LYS 118 -18.721 -1.728 -1.728 913 2HG LYS 118 1HG LYS 118 -16.969 -1.740 -1.740 914 1HD LYS 118 2HD LYS 118 -18.807 -0.035 -0.035 915 2HD LYS 118 1HD LYS 118 -18.102 0.522 0.522 916 1HE LYS 118 2HE LYS 118 -16.309 -0.636 -0.636 917 2HE LYS 118 1HE LYS 118 -16.929 1.000 1.000 918 1HZ LYS 118 3HZ LYS 118 -15.657 0.213 0.213 919 2HZ LYS 118 2HZ LYS 118 -14.715 0.691 0.691 920 3HZ LYS 118 1HZ LYS 118 -15.846 1.760 1.760 921 H ASN 119 HN ASN 119 -16.726 -5.756 -5.756 922 HA ASN 119 HA ASN 119 -15.916 -5.956 -5.956 923 1HB ASN 119 2HB ASN 119 -14.792 -7.709 -7.709 924 2HB ASN 119 1HB ASN 119 -15.112 -8.082 -8.082 925 1HD2 ASN 119 2HD2 ASN 119 -18.767 -8.120 -8.120 926 2HD2 ASN 119 1HD2 ASN 119 -17.794 -7.001 -7.001 927 H LEU 120 HN LEU 120 -14.153 -4.968 -4.968 928 HA LEU 120 HA LEU 120 -12.358 -3.662 -3.662 929 1HB LEU 120 2HB LEU 120 -11.796 -3.795 -3.795 930 2HB LEU 120 1HB LEU 120 -11.577 -2.463 -2.463 931 HG LEU 120 HG LEU 120 -14.184 -3.397 -3.397 932 1HD1 LEU 120 2HD1 LEU 120 -12.215 -1.359 -1.359 933 2HD1 LEU 120 1HD1 LEU 120 -13.859 -0.735 -0.735 934 3HD1 LEU 120 3HD1 LEU 120 -13.512 -2.063 -2.063 935 1HD2 LEU 120 1HD2 LEU 120 -13.922 -2.344 -2.344 936 2HD2 LEU 120 3HD2 LEU 120 -15.344 -2.153 -2.153 937 3HD2 LEU 120 2HD2 LEU 120 -14.116 -0.887 -0.887 938 HA PRO 121 HA PRO 121 -9.458 -7.043 -7.043 939 1HB PRO 121 2HB PRO 121 -7.507 -5.915 -5.915 940 2HB PRO 121 1HB PRO 121 -9.055 -6.372 -6.372 941 1HG PRO 121 2HG PRO 121 -8.095 -3.678 -3.678 942 2HG PRO 121 1HG PRO 121 -8.996 -4.126 -4.126 943 1HD PRO 121 2HD PRO 121 -10.147 -3.047 -3.047 944 2HD PRO 121 1HD PRO 121 -11.010 -4.066 -4.066 945 H ILE 122 HN ILE 122 -7.948 -7.700 -7.700 946 HA ILE 122 HA ILE 122 -6.497 -5.647 -5.647 947 HB ILE 122 HB ILE 122 -6.793 -8.510 -8.510 948 1HG1 ILE 122 2HG1 ILE 122 -9.050 -7.534 -7.534 949 2HG1 ILE 122 1HG1 ILE 122 -8.781 -7.935 -7.935 950 1HG2 ILE 122 3HG2 ILE 122 -5.642 -6.086 -6.086 951 2HG2 ILE 122 2HG2 ILE 122 -6.819 -6.796 -6.796 952 3HG2 ILE 122 1HG2 ILE 122 -5.455 -7.757 -7.757 953 1HD1 ILE 122 2HD1 ILE 122 -7.966 -5.270 -5.270 954 2HD1 ILE 122 1HD1 ILE 122 -9.502 -5.439 -5.439 955 3HD1 ILE 122 3HD1 ILE 122 -9.386 -5.879 -5.879 956 H GLU 123 HN GLU 123 -4.868 -5.458 -5.458 957 HA GLU 123 HA GLU 123 -3.308 -7.656 -7.656 958 1HB GLU 123 2HB GLU 123 -3.034 -4.681 -4.681 959 2HB GLU 123 1HB GLU 123 -1.643 -5.680 -5.680 960 1HG GLU 123 2HG GLU 123 -3.651 -6.833 -6.833 961 2HG GLU 123 1HG GLU 123 -4.048 -5.117 -5.117 962 H TYR 124 HN TYR 124 -0.995 -7.914 -7.914 963 HA TYR 124 HA TYR 124 -0.229 -7.190 -7.190 964 1HB TYR 124 2HB TYR 124 0.040 -9.908 -9.908 965 2HB TYR 124 1HB TYR 124 0.795 -9.459 -9.459 966 HD1 TYR 124 1HD TYR 124 -2.506 -9.820 -9.820 967 HD2 TYR 124 2HD TYR 124 -0.390 -9.641 -9.641 968 HE1 TYR 124 1HE TYR 124 -4.551 -10.477 -10.477 969 HE2 TYR 124 2HE TYR 124 -2.427 -10.298 -10.298 970 HH TYR 124 HH TYR 124 -4.643 -11.678 -11.678 971 H ASN 125 HN ASN 125 1.321 -5.710 -5.710 972 HA ASN 125 HA ASN 125 3.225 -6.103 -6.103 973 1HB ASN 125 2HB ASN 125 2.507 -3.844 -3.844 974 2HB ASN 125 1HB ASN 125 3.012 -3.991 -3.991 975 1HD2 ASN 125 2HD2 ASN 125 5.823 -2.212 -2.212 976 2HD2 ASN 125 1HD2 ASN 125 4.285 -2.091 -2.091 977 H LEU 126 HN LEU 126 4.137 -8.114 -8.114 978 HA LEU 126 HA LEU 126 5.414 -8.516 -8.516 979 1HB LEU 126 2HB LEU 126 5.935 -9.738 -9.738 980 2HB LEU 126 1HB LEU 126 6.696 -10.294 -10.294 981 HG LEU 126 HG LEU 126 3.712 -10.269 -10.269 982 1HD1 LEU 126 2HD1 LEU 126 5.496 -11.896 -11.896 983 2HD1 LEU 126 1HD1 LEU 126 5.056 -12.852 -12.852 984 3HD1 LEU 126 3HD1 LEU 126 3.804 -12.274 -12.274 985 1HD2 LEU 126 3HD2 LEU 126 4.421 -10.176 -10.176 986 2HD2 LEU 126 2HD2 LEU 126 3.662 -11.719 -11.719 987 3HD2 LEU 126 1HD2 LEU 126 5.416 -11.611 -11.611 988 1H ALA 1 2HN ALA 1 42.868 -5.729 -5.729 989 2H ALA 1 1HN ALA 1 44.061 -4.625 -4.625 990 3H ALA 1 3HN ALA 1 44.253 -5.414 -5.414 991 HA ALA 1 HA ALA 1 42.535 -4.251 -4.251 992 1HB ALA 1 1HB ALA 1 44.394 -2.589 -2.589 993 2HB ALA 1 3HB ALA 1 43.199 -1.829 -1.829 994 3HB ALA 1 2HB ALA 1 44.419 -2.901 -2.901 995 H GLN 2 HN GLN 2 40.970 -2.382 -2.382 996 HA GLN 2 HA GLN 2 38.983 -1.654 -1.654 997 1HB GLN 2 2HB GLN 2 40.285 -1.837 -1.837 998 2HB GLN 2 1HB GLN 2 39.023 -0.729 -0.729 999 1HG GLN 2 2HG GLN 2 40.490 0.611 0.611 1000 2HG GLN 2 1HG GLN 2 41.683 -0.674 -0.674 1001 1HE2 GLN 2 2HE2 GLN 2 41.840 1.871 1.871 1002 2HE2 GLN 2 1HE2 GLN 2 40.666 1.988 1.988 1003 H SER 3 HN SER 3 37.703 -3.437 -3.437 1004 HA SER 3 HA SER 3 37.399 -5.455 -5.455 1005 1HB SER 3 2HB SER 3 35.838 -5.907 -5.907 1006 2HB SER 3 1HB SER 3 37.022 -6.953 -6.953 1007 HG SER 3 HG SER 3 38.535 -6.230 -6.230 1008 H VAL 4 HN VAL 4 34.929 -6.348 -6.348 1009 HA VAL 4 HA VAL 4 33.354 -4.542 -4.542 1010 HB VAL 4 HB VAL 4 31.415 -6.032 -6.032 1011 1HG1 VAL 4 2HG1 VAL 4 33.831 -6.726 -6.726 1012 2HG1 VAL 4 1HG1 VAL 4 32.876 -8.124 -8.124 1013 3HG1 VAL 4 3HG1 VAL 4 32.135 -6.846 -6.846 1014 1HG2 VAL 4 3HG2 VAL 4 32.760 -6.660 -6.660 1015 2HG2 VAL 4 2HG2 VAL 4 31.642 -7.796 -7.796 1016 3HG2 VAL 4 1HG2 VAL 4 33.376 -7.947 -7.947 1017 HA PRO 5 HA PRO 5 31.557 -1.845 -1.845 1018 1HB PRO 5 2HB PRO 5 29.070 -1.450 -1.450 1019 2HB PRO 5 1HB PRO 5 30.520 -0.774 -0.774 1020 1HG PRO 5 2HG PRO 5 28.972 -3.227 -3.227 1021 2HG PRO 5 1HG PRO 5 29.646 -1.970 -1.970 1022 1HD PRO 5 2HD PRO 5 30.865 -4.359 -4.359 1023 2HD PRO 5 1HD PRO 5 31.770 -2.862 -2.862 1024 HA PRO 6 HA PRO 6 29.117 -3.917 -3.917 1025 1HB PRO 6 2HB PRO 6 27.220 -2.073 -2.073 1026 2HB PRO 6 1HB PRO 6 28.904 -2.004 -2.004 1027 1HG PRO 6 2HG PRO 6 27.556 -0.533 -0.533 1028 2HG PRO 6 1HG PRO 6 28.730 0.065 0.065 1029 1HD PRO 6 2HD PRO 6 29.450 -0.563 -0.563 1030 2HD PRO 6 1HD PRO 6 30.530 -0.846 -0.846 1031 H GLY 7 HN GLY 7 27.470 -5.347 -5.347 1032 1HA GLY 7 2HA GLY 7 25.792 -5.648 -5.648 1033 2HA GLY 7 1HA GLY 7 25.697 -6.581 -6.581 1034 H ASP 8 HN ASP 8 23.421 -6.543 -6.543 1035 HA ASP 8 HA ASP 8 22.211 -3.915 -3.915 1036 1HB ASP 8 2HB ASP 8 21.161 -6.371 -6.371 1037 2HB ASP 8 1HB ASP 8 20.045 -5.232 -5.232 1038 H ILE 9 HN ILE 9 20.620 -3.763 -3.763 1039 HA ILE 9 HA ILE 9 20.872 -5.858 -5.858 1040 HB ILE 9 HB ILE 9 20.274 -4.130 -4.130 1041 1HG1 ILE 9 2HG1 ILE 9 20.808 -1.777 -1.777 1042 2HG1 ILE 9 1HG1 ILE 9 19.543 -2.675 -2.675 1043 1HG2 ILE 9 3HG2 ILE 9 22.644 -4.640 -4.640 1044 2HG2 ILE 9 2HG2 ILE 9 22.590 -3.199 -3.199 1045 3HG2 ILE 9 1HG2 ILE 9 22.386 -3.056 -3.056 1046 1HD1 ILE 9 2HD1 ILE 9 18.759 -2.768 -2.768 1047 2HD1 ILE 9 1HD1 ILE 9 19.434 -1.149 -1.149 1048 3HD1 ILE 9 3HD1 ILE 9 18.133 -1.682 -1.682 1049 H ASN 10 HN ASN 10 19.116 -6.973 -6.973 1050 HA ASN 10 HA ASN 10 16.609 -6.488 -6.488 1051 1HB ASN 10 2HB ASN 10 17.846 -8.619 -8.619 1052 2HB ASN 10 1HB ASN 10 16.244 -8.308 -8.308 1053 1HD2 ASN 10 2HD2 ASN 10 16.475 -10.588 -10.588 1054 2HD2 ASN 10 1HD2 ASN 10 17.662 -10.349 -10.349 1055 H THR 11 HN THR 11 14.592 -6.017 -6.017 1056 HA THR 11 HA THR 11 14.716 -4.930 -4.930 1057 HB THR 11 HB THR 11 13.236 -2.985 -2.985 1058 HG1 THR 11 1HG THR 11 14.518 -2.338 -2.338 1059 1HG2 THR 11 1HG2 THR 11 15.232 -2.842 -2.842 1060 2HG2 THR 11 3HG2 THR 11 16.195 -2.646 -2.646 1061 3HG2 THR 11 2HG2 THR 11 14.910 -1.496 -1.496 1062 H GLN 12 HN GLN 12 12.807 -4.971 -4.971 1063 HA GLN 12 HA GLN 12 10.462 -6.056 -6.056 1064 1HB GLN 12 2HB GLN 12 11.856 -7.015 -7.015 1065 2HB GLN 12 1HB GLN 12 10.098 -7.028 -7.028 1066 1HG GLN 12 2HG GLN 12 9.931 -8.729 -8.729 1067 2HG GLN 12 1HG GLN 12 11.268 -8.151 -8.151 1068 1HE2 GLN 12 2HE2 GLN 12 11.899 -10.803 -10.803 1069 2HE2 GLN 12 1HE2 GLN 12 10.414 -9.927 -9.927 1070 HA PRO 13 HA PRO 13 8.404 -5.503 -5.503 1071 1HB PRO 13 2HB PRO 13 7.871 -2.714 -2.714 1072 2HB PRO 13 1HB PRO 13 6.780 -4.103 -4.103 1073 1HG PRO 13 2HG PRO 13 6.578 -2.131 -2.131 1074 2HG PRO 13 1HG PRO 13 6.317 -3.822 -3.822 1075 1HD PRO 13 2HD PRO 13 8.719 -2.085 -2.085 1076 2HD PRO 13 1HD PRO 13 7.959 -3.252 -3.252 1077 H SER 14 HN SER 14 8.827 -5.251 -5.251 1078 HA SER 14 HA SER 14 11.406 -5.368 -5.368 1079 1HB SER 14 2HB SER 14 9.639 -5.920 -5.920 1080 2HB SER 14 1HB SER 14 9.133 -4.234 -4.234 1081 HG SER 14 HG SER 14 11.750 -5.024 -5.024 1082 H GLN 15 HN GLN 15 9.507 -2.352 -2.352 1083 HA GLN 15 HA GLN 15 11.574 -0.696 -0.696 1084 1HB GLN 15 2HB GLN 15 12.755 -1.207 -1.207 1085 2HB GLN 15 1HB GLN 15 11.322 -0.914 -0.914 1086 1HG GLN 15 2HG GLN 15 11.901 1.429 1.429 1087 2HG GLN 15 1HG GLN 15 13.368 0.892 0.892 1088 1HE2 GLN 15 2HE2 GLN 15 12.159 2.864 2.864 1089 2HE2 GLN 15 1HE2 GLN 15 13.251 2.775 2.775 1090 H LYS 16 HN LYS 16 8.970 -0.761 -0.761 1091 HA LYS 16 HA LYS 16 8.093 1.893 1.893 1092 1HB LYS 16 2HB LYS 16 7.870 1.073 1.073 1093 2HB LYS 16 1HB LYS 16 6.821 -0.227 -0.227 1094 1HG LYS 16 2HG LYS 16 5.051 1.217 1.217 1095 2HG LYS 16 1HG LYS 16 6.098 2.637 2.637 1096 1HD LYS 16 2HD LYS 16 6.512 2.372 2.372 1097 2HD LYS 16 1HD LYS 16 5.395 1.005 1.005 1098 1HE LYS 16 2HE LYS 16 3.626 2.353 2.353 1099 2HE LYS 16 1HE LYS 16 4.199 3.317 3.317 1100 1HZ LYS 16 1HZ LYS 16 5.673 3.790 3.790 1101 2HZ LYS 16 3HZ LYS 16 4.029 4.161 4.161 1102 3HZ LYS 16 2HZ LYS 16 4.952 4.894 4.894 1103 H ILE 17 HN ILE 17 7.046 2.280 2.280 1104 HA ILE 17 HA ILE 17 5.126 0.263 0.263 1105 HB ILE 17 HB ILE 17 6.948 0.623 0.623 1106 1HG1 ILE 17 2HG1 ILE 17 4.335 1.863 1.863 1107 2HG1 ILE 17 1HG1 ILE 17 4.744 0.149 0.149 1108 1HG2 ILE 17 3HG2 ILE 17 6.659 3.327 3.327 1109 2HG2 ILE 17 2HG2 ILE 17 6.419 3.240 3.240 1110 3HG2 ILE 17 1HG2 ILE 17 7.900 2.609 2.609 1111 1HD1 ILE 17 3HD1 ILE 17 6.620 1.861 1.861 1112 2HD1 ILE 17 2HD1 ILE 17 4.979 1.857 1.857 1113 3HD1 ILE 17 1HD1 ILE 17 5.864 0.340 0.340 1114 H VAL 18 HN VAL 18 3.036 0.820 0.820 1115 HA VAL 18 HA VAL 18 2.338 3.612 3.612 1116 HB VAL 18 HB VAL 18 0.580 1.171 1.171 1117 1HG1 VAL 18 1HG1 VAL 18 -0.518 3.410 3.410 1118 2HG1 VAL 18 3HG1 VAL 18 0.180 3.904 3.904 1119 3HG1 VAL 18 2HG1 VAL 18 -0.967 2.566 2.566 1120 1HG2 VAL 18 3HG2 VAL 18 2.352 2.554 2.554 1121 2HG2 VAL 18 2HG2 VAL 18 2.206 0.831 0.831 1122 3HG2 VAL 18 1HG2 VAL 18 0.919 1.668 1.668 1123 H PHE 19 HN PHE 19 2.505 4.399 4.399 1124 HA PHE 19 HA PHE 19 1.391 3.336 3.336 1125 1HB PHE 19 2HB PHE 19 1.989 6.119 6.119 1126 2HB PHE 19 1HB PHE 19 1.050 5.905 5.905 1127 HD1 PHE 19 1HD PHE 19 4.070 4.298 4.298 1128 HD2 PHE 19 2HD PHE 19 2.287 6.109 6.109 1129 HE1 PHE 19 1HE PHE 19 6.150 3.948 3.948 1130 HE2 PHE 19 2HE PHE 19 4.361 5.761 5.761 1131 HZ PHE 19 HZ PHE 19 6.297 4.679 4.679 1132 H ASN 20 HN ASN 20 -0.614 2.453 2.453 1133 HA ASN 20 HA ASN 20 -2.798 3.631 3.631 1134 1HB ASN 20 2HB ASN 20 -2.919 1.519 1.519 1135 2HB ASN 20 1HB ASN 20 -4.134 1.848 1.848 1136 1HD2 ASN 20 2HD2 ASN 20 -0.924 -0.473 -0.473 1137 2HD2 ASN 20 1HD2 ASN 20 -1.119 0.347 0.347 1138 H ALA 21 HN ALA 21 -4.443 4.878 4.878 1139 HA ALA 21 HA ALA 21 -4.094 6.445 6.445 1140 1HB ALA 21 2HB ALA 21 -5.782 6.465 6.465 1141 2HB ALA 21 1HB ALA 21 -6.717 6.815 6.815 1142 3HB ALA 21 3HB ALA 21 -5.308 7.798 7.798 1143 HA PRO 22 HA PRO 22 -6.198 7.774 7.774 1144 1HB PRO 22 2HB PRO 22 -6.733 8.371 8.371 1145 2HB PRO 22 1HB PRO 22 -7.994 7.827 7.827 1146 1HG PRO 22 2HG PRO 22 -6.501 6.270 6.270 1147 2HG PRO 22 1HG PRO 22 -8.233 6.250 6.250 1148 1HD PRO 22 2HD PRO 22 -6.479 4.361 4.361 1149 2HD PRO 22 1HD PRO 22 -7.953 4.813 4.813 1150 H TYR 23 HN TYR 23 -4.934 9.488 9.488 1151 HA TYR 23 HA TYR 23 -2.376 8.466 8.466 1152 1HB TYR 23 2HB TYR 23 -2.936 11.077 11.077 1153 2HB TYR 23 1HB TYR 23 -1.354 10.487 10.487 1154 HD1 TYR 23 2HD TYR 23 -1.923 7.558 7.558 1155 HD2 TYR 23 1HD TYR 23 -2.404 11.250 11.250 1156 HE1 TYR 23 2HE TYR 23 -1.677 6.387 6.387 1157 HE2 TYR 23 1HE TYR 23 -2.159 10.088 10.088 1158 HH TYR 23 HH TYR 23 -2.548 7.663 7.663 1159 H ASP 24 HN ASP 24 -4.731 9.010 9.010 1160 HA ASP 24 HA ASP 24 -3.844 11.339 11.339 1161 1HB ASP 24 2HB ASP 24 -6.306 10.916 10.916 1162 2HB ASP 24 1HB ASP 24 -6.384 9.874 9.874 1163 H ASP 25 HN ASP 25 -3.075 8.218 8.218 1164 HA ASP 25 HA ASP 25 -2.801 8.101 8.101 1165 1HB ASP 25 2HB ASP 25 -4.156 6.159 6.159 1166 2HB ASP 25 1HB ASP 25 -3.058 5.465 5.465 1167 H LYS 26 HN LYS 26 -1.031 6.816 6.816 1168 HA LYS 26 HA LYS 26 1.291 7.061 7.061 1169 1HB LYS 26 2HB LYS 26 0.857 5.718 5.718 1170 2HB LYS 26 1HB LYS 26 2.430 5.908 5.908 1171 1HG LYS 26 2HG LYS 26 1.999 8.390 8.390 1172 2HG LYS 26 1HG LYS 26 0.603 8.061 8.061 1173 1HD LYS 26 2HD LYS 26 2.521 6.673 6.673 1174 2HD LYS 26 1HD LYS 26 3.482 7.985 7.985 1175 1HE LYS 26 2HE LYS 26 1.390 9.388 9.388 1176 2HE LYS 26 1HE LYS 26 1.382 8.045 8.045 1177 1HZ LYS 26 3HZ LYS 26 4.021 8.986 8.986 1178 2HZ LYS 26 2HZ LYS 26 3.015 10.278 10.278 1179 3HZ LYS 26 1HZ LYS 26 3.112 8.917 8.917 1180 H HIS 27 HN HIS 27 2.284 5.608 5.608 1181 HA HIS 27 HA HIS 27 1.559 2.781 2.781 1182 1HB HIS 27 2HB HIS 27 1.298 4.477 4.477 1183 2HB HIS 27 1HB HIS 27 1.461 2.726 2.726 1184 HD1 HIS 27 1HD HIS 27 -0.428 2.356 2.356 1185 HD2 HIS 27 2HD HIS 27 -1.305 4.369 4.369 1186 HE1 HIS 27 1HE HIS 27 -2.951 2.415 2.415 1187 H THR 28 HN THR 28 3.589 2.278 2.278 1188 HA THR 28 HA THR 28 5.977 3.179 3.179 1189 HB THR 28 HB THR 28 5.820 0.840 0.840 1190 HG1 THR 28 1HG THR 28 5.921 2.354 2.354 1191 1HG2 THR 28 3HG2 THR 28 7.891 2.967 2.967 1192 2HG2 THR 28 2HG2 THR 28 7.944 1.786 1.786 1193 3HG2 THR 28 1HG2 THR 28 8.020 1.247 1.247 1194 H TYR 29 HN TYR 29 6.539 2.467 2.467 1195 HA TYR 29 HA TYR 29 5.853 -0.267 -0.267 1196 1HB TYR 29 2HB TYR 29 6.709 2.168 2.168 1197 2HB TYR 29 1HB TYR 29 6.648 0.565 0.565 1198 HD1 TYR 29 1HD TYR 29 4.665 3.336 3.336 1199 HD2 TYR 29 2HD TYR 29 4.525 -0.524 -0.524 1200 HE1 TYR 29 1HE TYR 29 2.268 3.640 3.640 1201 HE2 TYR 29 2HE TYR 29 2.128 -0.230 -0.230 1202 HH TYR 29 HH TYR 29 0.497 1.501 1.501 1203 H HIS 30 HN HIS 30 7.343 -1.695 -1.695 1204 HA HIS 30 HA HIS 30 10.129 -1.010 -1.010 1205 1HB HIS 30 2HB HIS 30 8.570 -3.549 -3.549 1206 2HB HIS 30 1HB HIS 30 10.329 -3.519 -3.519 1207 HD1 HIS 30 1HD HIS 30 7.765 -1.124 -1.124 1208 HD2 HIS 30 2HD HIS 30 10.950 -3.563 -3.563 1209 HE1 HIS 30 1HE HIS 30 8.121 -0.772 -0.772 1210 H ILE 31 HN ILE 31 11.550 -1.079 -1.079 1211 HA ILE 31 HA ILE 31 10.941 -2.730 -2.730 1212 HB ILE 31 HB ILE 31 12.818 -0.372 -0.372 1213 1HG1 ILE 31 2HG1 ILE 31 9.956 -0.496 -0.496 1214 2HG1 ILE 31 1HG1 ILE 31 10.519 0.352 0.352 1215 1HG2 ILE 31 1HG2 ILE 31 11.730 -2.056 -2.056 1216 2HG2 ILE 31 3HG2 ILE 31 12.452 -0.469 -0.469 1217 3HG2 ILE 31 2HG2 ILE 31 13.415 -1.769 -1.769 1218 1HD1 ILE 31 3HD1 ILE 31 11.898 1.800 1.800 1219 2HD1 ILE 31 2HD1 ILE 31 11.211 0.994 0.994 1220 3HD1 ILE 31 1HD1 ILE 31 10.170 1.923 1.923 1221 H LYS 32 HN LYS 32 12.199 -4.426 -4.426 1222 HA LYS 32 HA LYS 32 14.642 -4.756 -4.756 1223 1HB LYS 32 2HB LYS 32 12.795 -6.609 -6.609 1224 2HB LYS 32 1HB LYS 32 14.459 -7.113 -7.113 1225 1HG LYS 32 2HG LYS 32 13.857 -7.814 -7.814 1226 2HG LYS 32 1HG LYS 32 13.587 -6.131 -6.131 1227 1HD LYS 32 2HD LYS 32 11.615 -7.497 -7.497 1228 2HD LYS 32 1HD LYS 32 11.274 -6.287 -6.287 1229 1HE LYS 32 2HE LYS 32 10.417 -8.010 -8.010 1230 2HE LYS 32 1HE LYS 32 12.100 -8.393 -8.393 1231 1HZ LYS 32 1HZ LYS 32 11.752 -9.590 -9.590 1232 2HZ LYS 32 3HZ LYS 32 10.216 -9.780 -9.780 1233 3HZ LYS 32 2HZ LYS 32 11.581 -10.367 -10.367 1234 H ILE 33 HN ILE 33 16.594 -5.515 -5.515 1235 HA ILE 33 HA ILE 33 16.874 -4.966 -4.966 1236 HB ILE 33 HB ILE 33 18.819 -4.012 -4.012 1237 1HG1 ILE 33 2HG1 ILE 33 17.174 -2.255 -2.255 1238 2HG1 ILE 33 1HG1 ILE 33 16.546 -2.799 -2.799 1239 1HG2 ILE 33 3HG2 ILE 33 18.804 -3.897 -3.897 1240 2HG2 ILE 33 2HG2 ILE 33 19.741 -2.758 -2.758 1241 3HG2 ILE 33 1HG2 ILE 33 20.068 -4.487 -4.487 1242 1HD1 ILE 33 3HD1 ILE 33 19.158 -1.770 -1.770 1243 2HD1 ILE 33 2HD1 ILE 33 18.237 -0.608 -0.608 1244 3HD1 ILE 33 1HD1 ILE 33 17.618 -1.159 -1.159 1245 H THR 34 HN THR 34 18.660 -6.046 -6.046 1246 HA THR 34 HA THR 34 20.023 -8.072 -8.072 1247 HB THR 34 HB THR 34 18.282 -8.697 -8.697 1248 HG1 THR 34 1HG THR 34 18.187 -9.278 -9.278 1249 1HG2 THR 34 1HG2 THR 34 20.465 -9.946 -9.946 1250 2HG2 THR 34 3HG2 THR 34 19.963 -10.680 -10.680 1251 3HG2 THR 34 2HG2 THR 34 19.007 -10.937 -10.937 1252 H ASN 35 HN ASN 35 21.889 -8.944 -8.944 1253 HA ASN 35 HA ASN 35 23.035 -7.215 -7.215 1254 1HB ASN 35 2HB ASN 35 24.291 -7.451 -7.451 1255 2HB ASN 35 1HB ASN 35 24.387 -9.189 -9.189 1256 1HD2 ASN 35 2HD2 ASN 35 26.482 -6.788 -6.788 1257 2HD2 ASN 35 1HD2 ASN 35 24.915 -6.317 -6.317 1258 H ALA 36 HN ALA 36 22.611 -7.974 -7.974 1259 HA ALA 36 HA ALA 36 22.624 -10.844 -10.844 1260 1HB ALA 36 3HB ALA 36 20.875 -9.141 -9.141 1261 2HB ALA 36 2HB ALA 36 22.095 -8.769 -8.769 1262 3HB ALA 36 1HB ALA 36 21.455 -10.407 -10.407 1263 H GLY 37 HN GLY 37 25.080 -9.113 -9.113 1264 1HA GLY 37 2HA GLY 37 26.481 -9.622 -9.622 1265 2HA GLY 37 1HA GLY 37 26.988 -8.452 -8.452 1266 H GLY 38 HN GLY 38 29.087 -9.504 -9.504 1267 1HA GLY 38 2HA GLY 38 29.197 -12.019 -12.019 1268 2HA GLY 38 1HA GLY 38 30.324 -11.632 -11.632 1269 H ARG 39 HN ARG 39 29.152 -9.499 -9.499 1270 HA ARG 39 HA ARG 39 31.254 -9.728 -9.728 1271 1HB ARG 39 2HB ARG 39 32.591 -7.689 -7.689 1272 2HB ARG 39 1HB ARG 39 32.790 -9.052 -9.052 1273 1HG ARG 39 2HG ARG 39 31.040 -7.943 -7.943 1274 2HG ARG 39 1HG ARG 39 31.253 -6.515 -6.515 1275 1HD ARG 39 2HD ARG 39 32.916 -5.955 -5.955 1276 2HD ARG 39 1HD ARG 39 33.836 -7.252 -7.252 1277 HE ARG 39 HE ARG 39 32.187 -8.147 -8.147 1278 1HH1 ARG 39 1HH2 ARG 39 35.264 -6.768 -6.768 1279 2HH1 ARG 39 2HH2 ARG 39 36.069 -7.339 -7.339 1280 1HH2 ARG 39 1HH1 ARG 39 33.238 -8.904 -8.904 1281 2HH2 ARG 39 2HH1 ARG 39 34.917 -8.553 -8.553 1282 H ARG 40 HN ARG 40 31.373 -7.895 -7.895 1283 HA ARG 40 HA ARG 40 28.857 -7.009 -7.009 1284 1HB ARG 40 2HB ARG 40 30.091 -5.401 -5.401 1285 2HB ARG 40 1HB ARG 40 30.636 -7.067 -7.067 1286 1HG ARG 40 2HG ARG 40 32.551 -6.578 -6.578 1287 2HG ARG 40 1HG ARG 40 31.990 -4.917 -4.917 1288 1HD ARG 40 2HD ARG 40 33.785 -5.165 -5.165 1289 2HD ARG 40 1HD ARG 40 32.298 -4.455 -4.455 1290 HE ARG 40 HE ARG 40 32.449 -7.303 -7.303 1291 1HH1 ARG 40 1HH2 ARG 40 33.320 -4.209 -4.209 1292 2HH1 ARG 40 2HH2 ARG 40 33.444 -4.802 -4.802 1293 1HH2 ARG 40 1HH1 ARG 40 32.608 -8.094 -8.094 1294 2HH2 ARG 40 2HH1 ARG 40 33.039 -7.010 -7.010 1295 H ILE 41 HN ILE 41 28.286 -4.611 -4.611 1296 HA ILE 41 HA ILE 41 29.212 -2.819 -2.819 1297 HB ILE 41 HB ILE 41 26.865 -2.487 -2.487 1298 1HG1 ILE 41 2HG1 ILE 41 26.320 -5.325 -5.325 1299 2HG1 ILE 41 1HG1 ILE 41 26.022 -4.084 -4.084 1300 1HG2 ILE 41 2HG2 ILE 41 28.752 -3.602 -3.602 1301 2HG2 ILE 41 1HG2 ILE 41 28.122 -5.150 -5.150 1302 3HG2 ILE 41 3HG2 ILE 41 27.149 -4.139 -4.139 1303 1HD1 ILE 41 3HD1 ILE 41 24.897 -3.827 -3.827 1304 2HD1 ILE 41 2HD1 ILE 41 24.098 -4.815 -4.815 1305 3HD1 ILE 41 1HD1 ILE 41 24.346 -3.092 -3.092 1306 H GLY 42 HN GLY 42 29.371 -0.943 -0.943 1307 1HA GLY 42 2HA GLY 42 27.824 -0.361 -0.361 1308 2HA GLY 42 1HA GLY 42 28.959 0.724 0.724 1309 H TRP 43 HN TRP 43 25.696 0.034 0.034 1310 HA TRP 43 HA TRP 43 24.823 1.708 1.708 1311 1HB TRP 43 2HB TRP 43 22.552 0.854 0.854 1312 2HB TRP 43 1HB TRP 43 23.697 -0.429 -0.429 1313 HD1 TRP 43 1HD TRP 43 24.012 -2.299 -2.299 1314 HE1 TRP 43 1HE TRP 43 23.082 -2.733 -2.733 1315 HE3 TRP 43 3HE TRP 43 21.779 2.223 2.223 1316 HZ2 TRP 43 2HZ TRP 43 21.595 -1.343 -1.343 1317 HZ3 TRP 43 3HZ TRP 43 20.623 2.590 2.590 1318 HH2 TRP 43 2HH TRP 43 20.533 0.844 0.844 1319 H ALA 44 HN ALA 44 23.150 3.279 3.279 1320 HA ALA 44 HA ALA 44 22.864 4.328 4.328 1321 1HB ALA 44 3HB ALA 44 24.007 5.935 5.935 1322 2HB ALA 44 2HB ALA 44 23.451 6.621 6.621 1323 3HB ALA 44 1HB ALA 44 24.817 5.505 5.505 1324 H ILE 45 HN ILE 45 20.983 5.533 5.533 1325 HA ILE 45 HA ILE 45 19.196 5.698 5.698 1326 HB ILE 45 HB ILE 45 18.249 5.180 5.180 1327 1HG1 ILE 45 2HG1 ILE 45 19.568 3.267 3.267 1328 2HG1 ILE 45 1HG1 ILE 45 17.890 2.813 2.813 1329 1HG2 ILE 45 2HG2 ILE 45 16.990 5.321 5.321 1330 2HG2 ILE 45 1HG2 ILE 45 16.302 4.237 4.237 1331 3HG2 ILE 45 3HG2 ILE 45 16.428 5.965 5.965 1332 1HD1 ILE 45 2HD1 ILE 45 18.792 3.818 3.818 1333 2HD1 ILE 45 1HD1 ILE 45 20.111 2.825 2.825 1334 3HD1 ILE 45 3HD1 ILE 45 18.502 2.131 2.131 1335 H LYS 46 HN LYS 46 17.702 7.399 7.399 1336 HA LYS 46 HA LYS 46 17.821 9.459 9.459 1337 1HB LYS 46 2HB LYS 46 18.889 9.825 9.825 1338 2HB LYS 46 1HB LYS 46 18.229 11.187 11.187 1339 1HG LYS 46 2HG LYS 46 19.868 10.477 10.477 1340 2HG LYS 46 1HG LYS 46 20.665 9.552 9.552 1341 1HD LYS 46 2HD LYS 46 21.678 11.394 11.394 1342 2HD LYS 46 1HD LYS 46 20.115 12.170 12.170 1343 1HE LYS 46 2HE LYS 46 20.129 12.700 12.700 1344 2HE LYS 46 1HE LYS 46 21.820 12.200 12.200 1345 1HZ LYS 46 3HZ LYS 46 21.537 13.964 13.964 1346 2HZ LYS 46 2HZ LYS 46 20.693 14.664 14.664 1347 3HZ LYS 46 1HZ LYS 46 22.322 14.248 14.248 1348 H THR 47 HN THR 47 16.240 11.220 11.220 1349 HA THR 47 HA THR 47 14.113 10.436 10.436 1350 HB THR 47 HB THR 47 12.433 10.989 10.989 1351 HG1 THR 47 1HG THR 47 13.586 11.933 11.933 1352 1HG2 THR 47 1HG2 THR 47 13.449 8.599 8.599 1353 2HG2 THR 47 3HG2 THR 47 13.899 8.662 8.662 1354 3HG2 THR 47 2HG2 THR 47 12.208 8.829 8.829 1355 H THR 48 HN THR 48 12.763 12.131 12.131 1356 HA THR 48 HA THR 48 13.935 14.575 14.575 1357 HB THR 48 HB THR 48 11.351 15.292 15.292 1358 HG1 THR 48 1HG THR 48 10.500 13.459 13.459 1359 1HG2 THR 48 2HG2 THR 48 13.140 14.714 14.714 1360 2HG2 THR 48 1HG2 THR 48 12.123 13.284 13.284 1361 3HG2 THR 48 3HG2 THR 48 11.426 14.892 14.892 1362 H ASN 49 HN ASN 49 12.094 13.528 13.528 1363 HA ASN 49 HA ASN 49 12.743 16.066 16.066 1364 1HB ASN 49 2HB ASN 49 10.082 14.688 14.688 1365 2HB ASN 49 1HB ASN 49 10.566 16.272 16.272 1366 1HD2 ASN 49 2HD2 ASN 49 10.138 17.911 17.911 1367 2HD2 ASN 49 1HD2 ASN 49 11.063 17.910 17.910 1368 H MET 50 HN MET 50 13.955 15.646 15.646 1369 HA MET 50 HA MET 50 13.886 13.005 13.005 1370 1HB MET 50 2HB MET 50 15.687 15.366 15.366 1371 2HB MET 50 1HB MET 50 15.880 13.751 13.751 1372 1HG MET 50 2HG MET 50 15.720 13.574 13.574 1373 2HG MET 50 1HG MET 50 16.920 14.787 14.787 1374 1HE MET 50 1HE MET 50 15.479 11.477 11.477 1375 2HE MET 50 3HE MET 50 16.843 10.421 10.421 1376 3HE MET 50 2HE MET 50 16.445 10.801 10.801 1377 H ARG 51 HN ARG 51 11.807 15.279 15.279 1378 HA ARG 51 HA ARG 51 11.899 15.399 15.399 1379 1HB ARG 51 2HB ARG 51 10.048 17.044 17.044 1380 2HB ARG 51 1HB ARG 51 10.639 17.372 17.372 1381 1HG ARG 51 2HG ARG 51 12.870 17.244 17.244 1382 2HG ARG 51 1HG ARG 51 11.651 18.306 18.306 1383 1HD ARG 51 2HD ARG 51 13.024 19.674 19.674 1384 2HD ARG 51 1HD ARG 51 11.512 19.453 19.453 1385 HE ARG 51 HE ARG 51 13.122 17.474 17.474 1386 1HH1 ARG 51 1HH2 ARG 51 13.416 20.933 20.933 1387 2HH1 ARG 51 2HH2 ARG 51 14.427 21.092 21.092 1388 1HH2 ARG 51 1HH1 ARG 51 14.452 17.672 17.672 1389 2HH2 ARG 51 2HH1 ARG 51 15.016 19.238 19.238 1390 H ARG 52 HN ARG 52 9.562 15.068 15.068 1391 HA ARG 52 HA ARG 52 7.598 13.870 13.870 1392 1HB ARG 52 2HB ARG 52 7.630 14.216 14.216 1393 2HB ARG 52 1HB ARG 52 6.252 13.659 13.659 1394 1HG ARG 52 2HG ARG 52 7.463 16.254 16.254 1395 2HG ARG 52 1HG ARG 52 6.538 16.185 16.185 1396 1HD ARG 52 2HD ARG 52 4.657 16.320 16.320 1397 2HD ARG 52 1HD ARG 52 5.055 14.798 14.798 1398 HE ARG 52 HE ARG 52 5.672 15.972 15.972 1399 1HH1 ARG 52 1HH2 ARG 52 5.356 18.161 18.161 1400 2HH1 ARG 52 2HH2 ARG 52 5.504 19.586 19.586 1401 1HH2 ARG 52 1HH1 ARG 52 5.868 17.842 17.842 1402 2HH2 ARG 52 2HH1 ARG 52 5.795 19.404 19.404 1403 H LEU 53 HN LEU 53 9.799 12.806 12.806 1404 HA LEU 53 HA LEU 53 9.033 10.018 10.018 1405 1HB LEU 53 2HB LEU 53 10.799 10.854 10.854 1406 2HB LEU 53 1HB LEU 53 9.761 9.448 9.448 1407 HG LEU 53 HG LEU 53 8.350 12.036 12.036 1408 1HD1 LEU 53 1HD1 LEU 53 10.302 12.260 12.260 1409 2HD1 LEU 53 3HD1 LEU 53 9.444 11.059 11.059 1410 3HD1 LEU 53 2HD1 LEU 53 8.675 12.601 12.601 1411 1HD2 LEU 53 1HD2 LEU 53 7.213 9.860 9.860 1412 2HD2 LEU 53 3HD2 LEU 53 6.832 10.819 10.819 1413 3HD2 LEU 53 2HD2 LEU 53 7.979 9.483 9.483 1414 H SER 54 HN SER 54 10.351 8.823 8.823 1415 HA SER 54 HA SER 54 13.191 9.592 9.592 1416 1HB SER 54 2HB SER 54 11.789 8.183 8.183 1417 2HB SER 54 1HB SER 54 13.254 9.162 9.162 1418 HG SER 54 HG SER 54 11.433 10.263 10.263 1419 H VAL 55 HN VAL 55 14.293 8.150 8.150 1420 HA VAL 55 HA VAL 55 13.469 5.345 5.345 1421 HB VAL 55 HB VAL 55 15.325 5.188 5.188 1422 1HG1 VAL 55 2HG1 VAL 55 12.666 6.487 6.487 1423 2HG1 VAL 55 1HG1 VAL 55 13.723 6.432 6.432 1424 3HG1 VAL 55 3HG1 VAL 55 13.232 4.935 4.935 1425 1HG2 VAL 55 3HG2 VAL 55 16.275 7.438 7.438 1426 2HG2 VAL 55 2HG2 VAL 55 16.034 7.164 7.164 1427 3HG2 VAL 55 1HG2 VAL 55 14.889 8.155 8.155 1428 H ASP 56 HN ASP 56 14.563 3.827 3.827 1429 HA ASP 56 HA ASP 56 17.335 4.344 4.344 1430 1HB ASP 56 2HB ASP 56 15.020 3.880 3.880 1431 2HB ASP 56 1HB ASP 56 16.596 3.228 3.228 1432 HA PRO 57 HA PRO 57 18.951 3.299 3.299 1433 1HB PRO 57 2HB PRO 57 20.945 1.736 1.736 1434 2HB PRO 57 1HB PRO 57 20.674 1.869 1.869 1435 1HG PRO 57 2HG PRO 57 20.199 -0.408 -0.408 1436 2HG PRO 57 1HG PRO 57 19.331 0.018 0.018 1437 1HD PRO 57 2HD PRO 57 18.467 0.312 0.312 1438 2HD PRO 57 1HD PRO 57 17.528 -0.218 -0.218 1439 HA PRO 58 HA PRO 58 19.670 5.886 5.886 1440 1HB PRO 58 2HB PRO 58 21.730 7.390 7.390 1441 2HB PRO 58 1HB PRO 58 20.086 7.565 7.565 1442 1HG PRO 58 2HG PRO 58 22.411 6.096 6.096 1443 2HG PRO 58 1HG PRO 58 21.225 7.142 7.142 1444 1HD PRO 58 2HD PRO 58 21.083 4.428 4.428 1445 2HD PRO 58 1HD PRO 58 19.651 5.472 5.472 1446 H CYS 59 HN CYS 59 22.006 3.642 3.642 1447 HA CYS 59 HA CYS 59 23.104 3.256 3.256 1448 1HB CYS 59 2HB CYS 59 25.448 3.939 3.939 1449 2HB CYS 59 1HB CYS 59 24.330 5.293 5.293 1450 HG CYS 59 HG CYS 59 24.360 4.990 4.990 1451 H GLY 60 HN GLY 60 24.735 1.553 1.553 1452 1HA GLY 60 2HA GLY 60 25.688 0.201 0.201 1453 2HA GLY 60 1HA GLY 60 24.139 -0.517 -0.517 1454 H VAL 61 HN VAL 61 26.875 -1.632 -1.632 1455 HA VAL 61 HA VAL 61 27.382 -2.014 -2.014 1456 HB VAL 61 HB VAL 61 28.812 -3.294 -3.294 1457 1HG1 VAL 61 1HG1 VAL 61 28.944 -4.081 -4.081 1458 2HG1 VAL 61 3HG1 VAL 61 30.101 -2.752 -2.752 1459 3HG1 VAL 61 2HG1 VAL 61 30.357 -4.074 -4.074 1460 1HG2 VAL 61 3HG2 VAL 61 29.071 -0.602 -0.602 1461 2HG2 VAL 61 2HG2 VAL 61 29.288 -1.105 -1.105 1462 3HG2 VAL 61 1HG2 VAL 61 30.545 -1.442 -1.442 1463 H LEU 62 HN LEU 62 26.678 -3.696 -3.696 1464 HA LEU 62 HA LEU 62 25.252 -5.834 -5.834 1465 1HB LEU 62 2HB LEU 62 24.761 -4.375 -4.375 1466 2HB LEU 62 1HB LEU 62 25.101 -6.021 -6.021 1467 HG LEU 62 HG LEU 62 23.221 -5.832 -5.832 1468 1HD1 LEU 62 3HD1 LEU 62 22.777 -4.306 -4.306 1469 2HD1 LEU 62 2HD1 LEU 62 21.436 -5.298 -5.298 1470 3HD1 LEU 62 1HD1 LEU 62 22.124 -4.058 -4.058 1471 1HD2 LEU 62 2HD2 LEU 62 23.953 -7.715 -7.715 1472 2HD2 LEU 62 1HD2 LEU 62 22.466 -7.754 -7.754 1473 3HD2 LEU 62 3HD2 LEU 62 22.448 -7.116 -7.116 1474 H ASP 63 HN ASP 63 25.446 -8.053 -8.053 1475 HA ASP 63 HA ASP 63 28.240 -8.591 -8.591 1476 1HB ASP 63 2HB ASP 63 26.600 -9.684 -9.684 1477 2HB ASP 63 1HB ASP 63 27.219 -10.952 -10.952 1478 HA PRO 64 HA PRO 64 27.090 -10.840 -10.840 1479 1HB PRO 64 2HB PRO 64 28.134 -13.379 -13.379 1480 2HB PRO 64 1HB PRO 64 28.573 -12.548 -12.548 1481 1HG PRO 64 2HG PRO 64 30.204 -12.515 -12.515 1482 2HG PRO 64 1HG PRO 64 30.009 -11.083 -11.083 1483 1HD PRO 64 2HD PRO 64 28.854 -11.652 -11.652 1484 2HD PRO 64 1HD PRO 64 29.482 -10.128 -10.128 1485 H LYS 65 HN LYS 65 24.954 -11.120 -11.120 1486 HA LYS 65 HA LYS 65 22.894 -12.081 -12.081 1487 1HB LYS 65 2HB LYS 65 24.607 -14.156 -14.156 1488 2HB LYS 65 1HB LYS 65 23.806 -14.591 -14.591 1489 1HG LYS 65 2HG LYS 65 21.626 -14.398 -14.398 1490 2HG LYS 65 1HG LYS 65 22.491 -14.090 -14.090 1491 1HD LYS 65 2HD LYS 65 22.153 -16.354 -16.354 1492 2HD LYS 65 1HD LYS 65 23.727 -16.322 -16.322 1493 1HE LYS 65 2HE LYS 65 22.457 -17.893 -17.893 1494 2HE LYS 65 1HE LYS 65 22.450 -16.434 -16.434 1495 1HZ LYS 65 3HZ LYS 65 20.263 -16.240 -16.240 1496 2HZ LYS 65 2HZ LYS 65 20.260 -17.835 -17.835 1497 3HZ LYS 65 1HZ LYS 65 20.252 -16.550 -16.550 1498 H GLU 66 HN GLU 66 23.737 -10.560 -10.560 1499 HA GLU 66 HA GLU 66 22.400 -11.935 -11.935 1500 1HB GLU 66 2HB GLU 66 24.551 -9.961 -9.961 1501 2HB GLU 66 1HB GLU 66 23.332 -9.544 -9.544 1502 1HG GLU 66 2HG GLU 66 23.969 -12.306 -12.306 1503 2HG GLU 66 1HG GLU 66 25.463 -11.375 -11.375 1504 H LYS 67 HN LYS 67 20.805 -10.817 -10.817 1505 HA LYS 67 HA LYS 67 19.280 -8.884 -8.884 1506 1HB LYS 67 2HB LYS 67 18.447 -11.019 -11.019 1507 2HB LYS 67 1HB LYS 67 17.377 -9.669 -9.669 1508 1HG LYS 67 2HG LYS 67 17.032 -10.333 -10.333 1509 2HG LYS 67 1HG LYS 67 18.543 -11.243 -11.243 1510 1HD LYS 67 2HD LYS 67 16.959 -12.928 -12.928 1511 2HD LYS 67 1HD LYS 67 17.429 -12.740 -12.740 1512 1HE LYS 67 2HE LYS 67 15.178 -12.687 -12.687 1513 2HE LYS 67 1HE LYS 67 15.433 -10.976 -10.976 1514 1HZ LYS 67 3HZ LYS 67 15.116 -12.423 -12.423 1515 2HZ LYS 67 2HZ LYS 67 13.811 -12.734 -12.734 1516 3HZ LYS 67 1HZ LYS 67 14.189 -11.142 -11.142 1517 H VAL 68 HN VAL 68 18.030 -7.280 -7.280 1518 HA VAL 68 HA VAL 68 18.995 -6.576 -6.576 1519 HB VAL 68 HB VAL 68 18.964 -4.480 -4.480 1520 1HG1 VAL 68 3HG1 VAL 68 20.075 -4.638 -4.638 1521 2HG1 VAL 68 2HG1 VAL 68 20.514 -3.364 -3.364 1522 3HG1 VAL 68 1HG1 VAL 68 18.838 -3.545 -3.545 1523 1HG2 VAL 68 1HG2 VAL 68 21.199 -6.314 -6.314 1524 2HG2 VAL 68 3HG2 VAL 68 20.629 -5.908 -5.908 1525 3HG2 VAL 68 2HG2 VAL 68 21.512 -4.712 -4.712 1526 H LEU 69 HN LEU 69 17.610 -5.126 -5.126 1527 HA LEU 69 HA LEU 69 14.918 -4.962 -4.962 1528 1HB LEU 69 2HB LEU 69 15.431 -6.332 -6.332 1529 2HB LEU 69 1HB LEU 69 15.458 -4.764 -4.764 1530 HG LEU 69 HG LEU 69 13.155 -4.349 -4.349 1531 1HD1 LEU 69 3HD1 LEU 69 13.645 -6.705 -6.705 1532 2HD1 LEU 69 2HD1 LEU 69 12.077 -6.670 -6.670 1533 3HD1 LEU 69 1HD1 LEU 69 12.559 -5.336 -5.336 1534 1HD2 LEU 69 1HD2 LEU 69 13.737 -6.934 -6.934 1535 2HD2 LEU 69 3HD2 LEU 69 13.304 -5.370 -5.370 1536 3HD2 LEU 69 2HD2 LEU 69 12.094 -6.316 -6.316 1537 H MET 70 HN MET 70 14.115 -3.029 -3.029 1538 HA MET 70 HA MET 70 15.251 -0.684 -0.684 1539 1HB MET 70 2HB MET 70 15.659 -1.133 -1.133 1540 2HB MET 70 1HB MET 70 14.073 -0.385 -0.385 1541 1HG MET 70 2HG MET 70 15.389 1.319 1.319 1542 2HG MET 70 1HG MET 70 16.670 0.798 0.798 1543 1HE MET 70 3HE MET 70 14.830 0.059 0.059 1544 2HE MET 70 2HE MET 70 14.619 1.503 1.503 1545 3HE MET 70 1HE MET 70 16.233 1.025 1.025 1546 H ALA 71 HN ALA 71 13.797 1.148 1.148 1547 HA ALA 71 HA ALA 71 10.949 0.453 0.453 1548 1HB ALA 71 2HB ALA 71 12.307 1.586 1.586 1549 2HB ALA 71 1HB ALA 71 10.566 1.389 1.389 1550 3HB ALA 71 3HB ALA 71 11.616 -0.028 -0.028 1551 H VAL 72 HN VAL 72 9.641 2.067 2.067 1552 HA VAL 72 HA VAL 72 10.849 4.733 4.733 1553 HB VAL 72 HB VAL 72 8.623 3.489 3.489 1554 1HG1 VAL 72 2HG1 VAL 72 9.172 6.156 6.156 1555 2HG1 VAL 72 1HG1 VAL 72 10.020 5.792 5.792 1556 3HG1 VAL 72 3HG1 VAL 72 8.290 5.474 5.474 1557 1HG2 VAL 72 3HG2 VAL 72 11.562 3.542 3.542 1558 2HG2 VAL 72 2HG2 VAL 72 10.380 2.348 2.348 1559 3HG2 VAL 72 1HG2 VAL 72 10.594 3.847 3.847 1560 H SER 73 HN SER 73 10.188 5.587 5.587 1561 HA SER 73 HA SER 73 7.535 5.364 5.364 1562 1HB SER 73 2HB SER 73 9.293 7.643 7.643 1563 2HB SER 73 1HB SER 73 8.259 6.616 6.616 1564 HG SER 73 HG SER 73 9.795 4.918 4.918 1565 H CYS 74 HN CYS 74 5.771 6.512 6.512 1566 HA CYS 74 HA CYS 74 6.058 9.077 9.077 1567 1HB CYS 74 2HB CYS 74 5.399 7.134 7.134 1568 2HB CYS 74 1HB CYS 74 3.877 7.089 7.089 1569 HG CYS 74 HG CYS 74 4.080 9.836 9.836 1570 H ASP 75 HN ASP 75 4.662 10.677 10.677 1571 HA ASP 75 HA ASP 75 2.883 10.028 10.028 1572 1HB ASP 75 2HB ASP 75 4.521 12.453 12.453 1573 2HB ASP 75 1HB ASP 75 3.099 12.607 12.607 1574 H THR 76 HN THR 76 0.843 11.059 11.059 1575 HA THR 76 HA THR 76 -0.651 11.095 11.095 1576 HB THR 76 HB THR 76 -2.461 11.810 11.810 1577 HG1 THR 76 1HG THR 76 -2.330 13.296 13.296 1578 1HG2 THR 76 1HG2 THR 76 -1.345 9.707 9.707 1579 2HG2 THR 76 3HG2 THR 76 -0.710 10.717 10.717 1580 3HG2 THR 76 2HG2 THR 76 -2.452 10.540 10.540 1581 H PHE 77 HN PHE 77 -0.425 12.435 12.435 1582 HA PHE 77 HA PHE 77 0.030 15.292 15.292 1583 1HB PHE 77 2HB PHE 77 1.339 15.481 15.481 1584 2HB PHE 77 1HB PHE 77 1.937 14.067 14.067 1585 HD1 PHE 77 2HD PHE 77 1.266 11.788 11.788 1586 HD2 PHE 77 1HD PHE 77 0.479 15.316 15.316 1587 HE1 PHE 77 2HE PHE 77 0.935 10.423 10.423 1588 HE2 PHE 77 1HE PHE 77 0.146 13.957 13.957 1589 HZ PHE 77 HZ PHE 77 0.373 11.508 11.508 1590 H ASN 78 HN ASN 78 -0.457 16.420 16.420 1591 HA ASN 78 HA ASN 78 -3.236 15.651 15.651 1592 1HB ASN 78 2HB ASN 78 -2.031 18.276 18.276 1593 2HB ASN 78 1HB ASN 78 -3.206 18.274 18.274 1594 1HD2 ASN 78 2HD2 ASN 78 -4.431 17.184 17.184 1595 2HD2 ASN 78 1HD2 ASN 78 -2.816 16.859 16.859 1596 H ALA 79 HN ALA 79 -3.661 15.183 15.183 1597 HA ALA 79 HA ALA 79 -1.632 15.841 15.841 1598 1HB ALA 79 2HB ALA 79 -2.299 13.428 13.428 1599 2HB ALA 79 1HB ALA 79 -3.822 13.816 13.816 1600 3HB ALA 79 3HB ALA 79 -2.302 13.949 13.949 1601 H ALA 80 HN ALA 80 -4.003 17.496 17.496 1602 HA ALA 80 HA ALA 80 -5.628 17.765 17.765 1603 1HB ALA 80 2HB ALA 80 -6.078 18.215 18.215 1604 2HB ALA 80 1HB ALA 80 -6.087 19.814 19.814 1605 3HB ALA 80 3HB ALA 80 -7.177 18.557 18.557 1606 H THR 81 HN THR 81 -2.923 19.283 19.283 1607 HA THR 81 HA THR 81 -2.838 21.248 21.248 1608 HB THR 81 HB THR 81 -2.103 22.986 22.986 1609 HG1 THR 81 1HG THR 81 -2.662 21.075 21.075 1610 1HG2 THR 81 2HG2 THR 81 -4.535 22.676 22.676 1611 2HG2 THR 81 1HG2 THR 81 -4.645 21.784 21.784 1612 3HG2 THR 81 3HG2 THR 81 -4.160 23.482 23.482 1613 H GLU 82 HN GLU 82 -1.458 18.697 18.697 1614 HA GLU 82 HA GLU 82 1.272 19.703 19.703 1615 1HB GLU 82 2HB GLU 82 0.430 17.519 17.519 1616 2HB GLU 82 1HB GLU 82 2.096 17.781 17.781 1617 1HG GLU 82 2HG GLU 82 1.363 20.272 20.272 1618 2HG GLU 82 1HG GLU 82 0.453 19.236 19.236 1619 H ASP 83 HN ASP 83 2.293 18.806 18.806 1620 HA ASP 83 HA ASP 83 1.021 17.079 17.079 1621 1HB ASP 83 2HB ASP 83 3.871 17.955 17.955 1622 2HB ASP 83 1HB ASP 83 3.462 16.739 16.739 1623 H LEU 84 HN LEU 84 1.281 14.892 14.892 1624 HA LEU 84 HA LEU 84 2.471 13.280 13.280 1625 1HB LEU 84 2HB LEU 84 0.111 12.602 12.602 1626 2HB LEU 84 1HB LEU 84 0.801 11.554 11.554 1627 HG LEU 84 HG LEU 84 -0.714 14.123 14.123 1628 1HD1 LEU 84 3HD1 LEU 84 -1.632 11.596 11.596 1629 2HD1 LEU 84 2HD1 LEU 84 -1.315 11.677 11.677 1630 3HD1 LEU 84 1HD1 LEU 84 -2.401 12.846 12.846 1631 1HD2 LEU 84 1HD2 LEU 84 0.885 12.554 12.554 1632 2HD2 LEU 84 3HD2 LEU 84 1.194 14.205 14.205 1633 3HD2 LEU 84 2HD2 LEU 84 -0.259 13.838 13.838 1634 H ASN 85 HN ASN 85 4.027 14.153 14.153 1635 HA ASN 85 HA ASN 85 4.757 11.593 11.593 1636 1HB ASN 85 2HB ASN 85 3.210 13.142 13.142 1637 2HB ASN 85 1HB ASN 85 4.761 13.894 13.894 1638 1HD2 ASN 85 2HD2 ASN 85 4.520 11.437 11.437 1639 2HD2 ASN 85 1HD2 ASN 85 3.960 13.015 13.015 1640 H ASN 86 HN ASN 86 5.820 13.554 13.554 1641 HA ASN 86 HA ASN 86 8.410 14.093 14.093 1642 1HB ASN 86 2HB ASN 86 7.154 15.576 15.576 1643 2HB ASN 86 1HB ASN 86 8.721 15.931 15.931 1644 1HD2 ASN 86 2HD2 ASN 86 7.053 16.947 16.947 1645 2HD2 ASN 86 1HD2 ASN 86 8.181 15.725 15.725 1646 H ASP 87 HN ASP 87 6.810 12.348 12.348 1647 HA ASP 87 HA ASP 87 9.009 12.121 12.121 1648 1HB ASP 87 2HB ASP 87 6.277 11.078 11.078 1649 2HB ASP 87 1HB ASP 87 7.415 9.933 9.933 1650 H ARG 88 HN ARG 88 10.822 11.080 11.080 1651 HA ARG 88 HA ARG 88 10.694 8.429 8.429 1652 1HB ARG 88 2HB ARG 88 12.120 10.777 10.777 1653 2HB ARG 88 1HB ARG 88 12.697 9.139 9.139 1654 1HG ARG 88 2HG ARG 88 11.181 8.811 8.811 1655 2HG ARG 88 1HG ARG 88 9.875 9.264 9.264 1656 1HD ARG 88 2HD ARG 88 9.762 10.762 10.762 1657 2HD ARG 88 1HD ARG 88 10.457 11.666 11.666 1658 HE ARG 88 HE ARG 88 12.433 10.480 10.480 1659 1HH1 ARG 88 1HH2 ARG 88 10.341 13.226 13.226 1660 2HH1 ARG 88 2HH2 ARG 88 11.325 14.296 14.296 1661 1HH2 ARG 88 1HH1 ARG 88 13.737 11.881 11.881 1662 2HH2 ARG 88 2HH1 ARG 88 13.256 13.532 13.532 1663 H ILE 89 HN ILE 89 12.184 7.061 7.061 1664 HA ILE 89 HA ILE 89 14.032 8.155 8.155 1665 HB ILE 89 HB ILE 89 13.288 5.266 5.266 1666 1HG1 ILE 89 2HG1 ILE 89 12.151 7.319 7.319 1667 2HG1 ILE 89 1HG1 ILE 89 11.291 6.447 6.447 1668 1HG2 ILE 89 1HG2 ILE 89 15.444 6.180 6.180 1669 2HG2 ILE 89 3HG2 ILE 89 14.262 6.233 6.233 1670 3HG2 ILE 89 2HG2 ILE 89 14.580 4.716 4.716 1671 1HD1 ILE 89 1HD1 ILE 89 11.817 4.336 4.336 1672 2HD1 ILE 89 3HD1 ILE 89 12.355 5.374 5.374 1673 3HD1 ILE 89 2HD1 ILE 89 10.681 5.446 5.446 1674 H THR 90 HN THR 90 15.961 8.657 8.657 1675 HA THR 90 HA THR 90 17.055 7.391 7.391 1676 HB THR 90 HB THR 90 18.343 9.213 9.213 1677 HG1 THR 90 1HG THR 90 17.858 10.818 10.818 1678 1HG2 THR 90 2HG2 THR 90 19.391 8.010 8.010 1679 2HG2 THR 90 1HG2 THR 90 19.759 9.706 9.706 1680 3HG2 THR 90 3HG2 THR 90 20.228 8.469 8.469 1681 H ILE 91 HN ILE 91 18.064 5.516 5.516 1682 HA ILE 91 HA ILE 91 19.258 4.401 4.401 1683 HB ILE 91 HB ILE 91 18.536 2.806 2.806 1684 1HG1 ILE 91 2HG1 ILE 91 16.492 3.889 3.889 1685 2HG1 ILE 91 1HG1 ILE 91 16.447 2.182 2.182 1686 1HG2 ILE 91 3HG2 ILE 91 19.596 2.248 2.248 1687 2HG2 ILE 91 2HG2 ILE 91 18.261 1.201 1.201 1688 3HG2 ILE 91 1HG2 ILE 91 19.707 1.306 1.306 1689 1HD1 ILE 91 1HD1 ILE 91 17.249 2.888 2.888 1690 2HD1 ILE 91 3HD1 ILE 91 16.884 4.540 4.540 1691 3HD1 ILE 91 2HD1 ILE 91 15.599 3.333 3.333 1692 H GLU 92 HN GLU 92 21.283 3.392 3.392 1693 HA GLU 92 HA GLU 92 22.816 3.609 3.609 1694 1HB GLU 92 2HB GLU 92 23.932 4.827 4.827 1695 2HB GLU 92 1HB GLU 92 24.541 4.969 4.969 1696 1HG GLU 92 2HG GLU 92 22.354 6.176 6.176 1697 2HG GLU 92 1HG GLU 92 22.150 6.291 6.291 1698 H TRP 93 HN TRP 93 24.896 2.529 2.529 1699 HA TRP 93 HA TRP 93 25.759 1.014 1.014 1700 1HB TRP 93 2HB TRP 93 24.985 -1.181 -1.181 1701 2HB TRP 93 1HB TRP 93 23.557 -0.158 -0.158 1702 HD1 TRP 93 1HD TRP 93 25.552 -2.630 -2.630 1703 HE1 TRP 93 1HE TRP 93 24.490 -2.945 -2.945 1704 HE3 TRP 93 3HE TRP 93 22.247 1.272 1.272 1705 HZ2 TRP 93 2HZ TRP 93 22.514 -1.704 -1.704 1706 HZ3 TRP 93 3HZ TRP 93 20.808 1.638 1.638 1707 HH2 TRP 93 2HH TRP 93 20.940 0.180 0.180 1708 H THR 94 HN THR 94 27.839 0.687 0.687 1709 HA THR 94 HA THR 94 28.718 0.033 0.033 1710 HB THR 94 HB THR 94 29.043 2.465 2.465 1711 HG1 THR 94 1HG THR 94 30.551 1.068 1.068 1712 1HG2 THR 94 1HG2 THR 94 29.586 2.070 2.070 1713 2HG2 THR 94 3HG2 THR 94 31.232 1.849 1.849 1714 3HG2 THR 94 2HG2 THR 94 30.385 3.367 3.367 1715 H ASN 95 HN ASN 95 30.247 -1.512 -1.512 1716 HA ASN 95 HA ASN 95 30.795 -3.162 -3.162 1717 1HB ASN 95 2HB ASN 95 32.660 -4.064 -4.064 1718 2HB ASN 95 1HB ASN 95 31.038 -4.084 -4.084 1719 1HD2 ASN 95 2HD2 ASN 95 32.921 -2.835 -2.835 1720 2HD2 ASN 95 1HD2 ASN 95 32.464 -4.299 -4.299 1721 H THR 96 HN THR 96 31.890 -2.657 -2.657 1722 HA THR 96 HA THR 96 33.654 -0.513 -0.513 1723 HB THR 96 HB THR 96 34.093 -1.317 -1.317 1724 HG1 THR 96 1HG THR 96 33.604 -3.850 -3.850 1725 1HG2 THR 96 1HG2 THR 96 31.546 -1.075 -1.075 1726 2HG2 THR 96 3HG2 THR 96 31.538 -2.764 -2.764 1727 3HG2 THR 96 2HG2 THR 96 32.036 -1.505 -1.505 1728 HA PRO 97 HA PRO 97 37.531 -1.656 -1.656 1729 1HB PRO 97 2HB PRO 97 38.694 -0.829 -0.829 1730 2HB PRO 97 1HB PRO 97 39.134 -0.325 -0.325 1731 1HG PRO 97 2HG PRO 97 37.734 1.292 1.292 1732 2HG PRO 97 1HG PRO 97 37.376 1.181 1.181 1733 1HD PRO 97 2HD PRO 97 35.893 0.036 0.036 1734 2HD PRO 97 1HD PRO 97 35.271 0.677 0.677 1735 H ASP 98 HN ASP 98 39.373 -3.074 -3.074 1736 HA ASP 98 HA ASP 98 38.751 -5.604 -5.604 1737 1HB ASP 98 2HB ASP 98 41.422 -4.228 -4.228 1738 2HB ASP 98 1HB ASP 98 41.286 -5.935 -5.935 1739 H GLY 99 HN GLY 99 38.196 -6.355 -6.355 1740 1HA GLY 99 2HA GLY 99 38.025 -6.581 -6.581 1741 2HA GLY 99 1HA GLY 99 39.776 -6.432 -6.432 1742 H ALA 100 HN ALA 100 37.193 -4.073 -4.073 1743 HA ALA 100 HA ALA 100 38.492 -1.921 -1.921 1744 1HB ALA 100 1HB ALA 100 36.045 -2.359 -2.359 1745 2HB ALA 100 3HB ALA 100 35.659 -1.592 -1.592 1746 3HB ALA 100 2HB ALA 100 36.785 -0.816 -0.816 1747 H ALA 101 HN ALA 101 37.651 -0.697 -0.697 1748 HA ALA 101 HA ALA 101 37.860 -2.307 -2.307 1749 1HB ALA 101 1HB ALA 101 38.604 0.050 0.050 1750 2HB ALA 101 3HB ALA 101 36.912 0.546 0.546 1751 3HB ALA 101 2HB ALA 101 37.556 -0.279 -0.279 1752 H LYS 102 HN LYS 102 36.308 -2.247 -2.247 1753 HA LYS 102 HA LYS 102 33.666 -2.970 -2.970 1754 1HB LYS 102 2HB LYS 102 35.271 -4.069 -4.069 1755 2HB LYS 102 1HB LYS 102 34.160 -3.111 -3.111 1756 1HG LYS 102 2HG LYS 102 32.902 -4.746 -4.746 1757 2HG LYS 102 1HG LYS 102 33.693 -5.645 -5.645 1758 1HD LYS 102 2HD LYS 102 32.414 -4.033 -4.033 1759 2HD LYS 102 1HD LYS 102 31.407 -3.715 -3.715 1760 1HE LYS 102 2HE LYS 102 30.220 -5.501 -5.501 1761 2HE LYS 102 1HE LYS 102 31.583 -6.465 -6.465 1762 1HZ LYS 102 2HZ LYS 102 31.865 -5.445 -5.445 1763 2HZ LYS 102 1HZ LYS 102 30.591 -6.540 -6.540 1764 3HZ LYS 102 3HZ LYS 102 32.168 -6.994 -6.994 1765 H GLN 103 HN GLN 103 33.325 -0.671 -0.671 1766 HA GLN 103 HA GLN 103 31.501 0.515 0.515 1767 1HB GLN 103 2HB GLN 103 32.946 2.665 2.665 1768 2HB GLN 103 1HB GLN 103 33.121 1.304 1.304 1769 1HG GLN 103 2HG GLN 103 35.249 0.999 0.999 1770 2HG GLN 103 1HG GLN 103 34.897 1.105 1.105 1771 1HE2 GLN 103 2HE2 GLN 103 36.772 4.081 4.081 1772 2HE2 GLN 103 1HE2 GLN 103 36.574 2.488 2.488 1773 H PHE 104 HN PHE 104 30.209 1.833 1.833 1774 HA PHE 104 HA PHE 104 30.429 2.110 2.110 1775 1HB PHE 104 2HB PHE 104 28.348 2.443 2.443 1776 2HB PHE 104 1HB PHE 104 28.966 4.026 4.026 1777 HD1 PHE 104 1HD PHE 104 28.649 2.110 2.110 1778 HD2 PHE 104 2HD PHE 104 27.958 5.754 5.754 1779 HE1 PHE 104 1HE PHE 104 27.668 3.085 3.085 1780 HE2 PHE 104 2HE PHE 104 26.975 6.735 6.735 1781 HZ PHE 104 HZ PHE 104 26.829 5.400 5.400 1782 H ARG 105 HN ARG 105 30.894 3.898 3.898 1783 HA ARG 105 HA ARG 105 32.507 6.037 6.037 1784 1HB ARG 105 2HB ARG 105 33.331 4.398 4.398 1785 2HB ARG 105 1HB ARG 105 34.181 5.811 5.811 1786 1HG ARG 105 2HG ARG 105 33.708 3.541 3.541 1787 2HG ARG 105 1HG ARG 105 34.943 3.368 3.368 1788 1HD ARG 105 2HD ARG 105 34.787 5.611 5.611 1789 2HD ARG 105 1HD ARG 105 35.865 4.221 4.221 1790 HE ARG 105 HE ARG 105 36.215 5.567 5.567 1791 1HH1 ARG 105 1HH2 ARG 105 36.911 5.841 5.841 1792 2HH1 ARG 105 2HH2 ARG 105 38.334 6.798 6.798 1793 1HH2 ARG 105 1HH1 ARG 105 38.089 6.829 6.829 1794 2HH2 ARG 105 2HH1 ARG 105 39.004 7.362 7.362 1795 H ARG 106 HN ARG 106 32.455 7.997 7.997 1796 HA ARG 106 HA ARG 106 30.232 8.296 8.296 1797 1HB ARG 106 2HB ARG 106 31.125 9.828 9.828 1798 2HB ARG 106 1HB ARG 106 31.760 10.701 10.701 1799 1HG ARG 106 2HG ARG 106 29.476 10.744 10.744 1800 2HG ARG 106 1HG ARG 106 28.881 9.990 9.990 1801 1HD ARG 106 2HD ARG 106 28.653 12.035 12.035 1802 2HD ARG 106 1HD ARG 106 30.413 12.146 12.146 1803 HE ARG 106 HE ARG 106 29.333 12.831 12.831 1804 1HH1 ARG 106 1HH2 ARG 106 29.891 14.040 14.040 1805 2HH1 ARG 106 2HH2 ARG 106 29.955 15.699 15.699 1806 1HH2 ARG 106 1HH1 ARG 106 29.418 15.011 15.011 1807 2HH2 ARG 106 2HH1 ARG 106 29.686 16.251 16.251 1808 H GLU 107 HN GLU 107 33.704 8.415 8.415 1809 HA GLU 107 HA GLU 107 34.082 9.856 9.856 1810 1HB GLU 107 2HB GLU 107 35.716 8.677 8.677 1811 2HB GLU 107 1HB GLU 107 36.193 7.957 7.957 1812 1HG GLU 107 2HG GLU 107 36.296 10.353 10.353 1813 2HG GLU 107 1HG GLU 107 36.245 10.839 10.839 1814 H TRP 108 HN TRP 108 33.043 6.650 6.650 1815 HA TRP 108 HA TRP 108 34.014 5.263 5.263 1816 1HB TRP 108 2HB TRP 108 31.516 5.003 5.003 1817 2HB TRP 108 1HB TRP 108 31.781 3.959 3.959 1818 HD1 TRP 108 1HD TRP 108 35.119 4.193 4.193 1819 HE1 TRP 108 1HE TRP 108 35.808 2.392 2.392 1820 HE3 TRP 108 3HE TRP 108 30.475 2.724 2.724 1821 HZ2 TRP 108 2HZ TRP 108 34.548 0.587 0.587 1822 HZ3 TRP 108 3HZ TRP 108 30.304 0.954 0.954 1823 HH2 TRP 108 2HH TRP 108 32.299 -0.092 -0.092 1824 H PHE 109 HN PHE 109 31.712 7.813 7.813 1825 HA PHE 109 HA PHE 109 30.945 7.275 7.275 1826 1HB PHE 109 2HB PHE 109 29.396 8.871 8.871 1827 2HB PHE 109 1HB PHE 109 28.880 8.496 8.496 1828 HD1 PHE 109 1HD PHE 109 29.771 6.923 6.923 1829 HD2 PHE 109 2HD PHE 109 27.672 6.559 6.559 1830 HE1 PHE 109 1HE PHE 109 28.705 4.861 4.861 1831 HE2 PHE 109 2HE PHE 109 26.601 4.498 4.498 1832 HZ PHE 109 HZ PHE 109 27.118 3.646 3.646 1833 H GLN 110 HN GLN 110 33.350 8.524 8.524 1834 HA GLN 110 HA GLN 110 32.794 11.346 11.346 1835 1HB GLN 110 2HB GLN 110 34.922 11.929 11.929 1836 2HB GLN 110 1HB GLN 110 34.131 10.885 10.885 1837 1HG GLN 110 2HG GLN 110 36.008 9.709 9.709 1838 2HG GLN 110 1HG GLN 110 35.558 9.125 9.125 1839 1HE2 GLN 110 2HE2 GLN 110 38.704 10.261 10.261 1840 2HE2 GLN 110 1HE2 GLN 110 37.702 8.900 8.900 1841 H GLY 111 HN GLY 111 34.441 8.430 8.430 1842 1HA GLY 111 2HA GLY 111 35.508 9.821 9.821 1843 2HA GLY 111 1HA GLY 111 36.094 8.284 8.284 1844 H ASP 112 HN ASP 112 35.095 9.115 9.115 1845 HA ASP 112 HA ASP 112 32.606 7.710 7.710 1846 1HB ASP 112 2HB ASP 112 34.282 9.475 9.475 1847 2HB ASP 112 1HB ASP 112 33.802 8.072 8.072 1848 H GLY 113 HN GLY 113 32.333 5.853 5.853 1849 1HA GLY 113 2HA GLY 113 33.679 4.155 4.155 1850 2HA GLY 113 1HA GLY 113 34.645 4.036 4.036 1851 H MET 114 HN MET 114 33.818 2.956 2.956 1852 HA MET 114 HA MET 114 31.569 1.183 1.183 1853 1HB MET 114 2HB MET 114 33.712 1.004 1.004 1854 2HB MET 114 1HB MET 114 32.400 -0.152 -0.152 1855 1HG MET 114 2HG MET 114 34.024 -1.239 -1.239 1856 2HG MET 114 1HG MET 114 33.335 -0.287 -0.287 1857 1HE MET 114 1HE MET 114 35.574 -1.559 -1.559 1858 2HE MET 114 3HE MET 114 36.698 -0.378 -0.378 1859 3HE MET 114 2HE MET 114 37.091 -1.212 -1.212 1860 H VAL 115 HN VAL 115 29.688 2.018 2.018 1861 HA VAL 115 HA VAL 115 28.904 2.247 2.247 1862 HB VAL 115 HB VAL 115 30.324 4.218 4.218 1863 1HG1 VAL 115 3HG1 VAL 115 29.924 4.673 4.673 1864 2HG1 VAL 115 2HG1 VAL 115 28.670 5.742 5.742 1865 3HG1 VAL 115 1HG1 VAL 115 30.350 5.974 5.974 1866 1HG2 VAL 115 2HG2 VAL 115 27.780 4.047 4.047 1867 2HG2 VAL 115 1HG2 VAL 115 28.837 5.413 5.413 1868 3HG2 VAL 115 3HG2 VAL 115 27.679 5.517 5.517 1869 H ARG 116 HN ARG 116 26.762 1.995 1.995 1870 HA ARG 116 HA ARG 116 25.274 2.964 2.964 1871 1HB ARG 116 2HB ARG 116 25.595 0.345 0.345 1872 2HB ARG 116 1HB ARG 116 24.050 0.764 0.764 1873 1HG ARG 116 2HG ARG 116 23.296 0.072 0.072 1874 2HG ARG 116 1HG ARG 116 23.621 1.757 1.757 1875 1HD ARG 116 2HD ARG 116 25.802 -0.252 -0.252 1876 2HD ARG 116 1HD ARG 116 24.515 -0.209 -0.209 1877 HE ARG 116 HE ARG 116 25.557 2.388 2.388 1878 1HH1 ARG 116 1HH2 ARG 116 26.272 -0.635 -0.635 1879 2HH1 ARG 116 2HH2 ARG 116 27.278 0.085 0.085 1880 1HH2 ARG 116 1HH1 ARG 116 26.880 3.347 3.347 1881 2HH2 ARG 116 2HH1 ARG 116 27.624 2.349 2.349 1882 H ARG 117 HN ARG 117 23.033 3.513 3.513 1883 HA ARG 117 HA ARG 117 22.032 3.845 3.845 1884 1HB ARG 117 2HB ARG 117 21.949 6.281 6.281 1885 2HB ARG 117 1HB ARG 117 23.613 5.724 5.724 1886 1HG ARG 117 2HG ARG 117 22.696 6.044 6.044 1887 2HG ARG 117 1HG ARG 117 22.183 7.472 7.472 1888 1HD ARG 117 2HD ARG 117 24.991 6.378 6.378 1889 2HD ARG 117 1HD ARG 117 24.440 7.668 7.668 1890 HE ARG 117 HE ARG 117 23.885 8.262 8.262 1891 1HH1 ARG 117 1HH2 ARG 117 26.428 8.206 8.206 1892 2HH1 ARG 117 2HH2 ARG 117 27.363 9.438 9.438 1893 1HH2 ARG 117 1HH1 ARG 117 25.107 9.885 9.885 1894 2HH2 ARG 117 2HH1 ARG 117 26.612 10.392 10.392 1895 H LYS 118 HN LYS 118 19.900 3.626 3.626 1896 HA LYS 118 HA LYS 118 18.485 4.644 4.644 1897 1HB LYS 118 2HB LYS 118 17.113 2.641 2.641 1898 2HB LYS 118 1HB LYS 118 18.812 2.216 2.216 1899 1HG LYS 118 2HG LYS 118 18.720 1.760 1.760 1900 2HG LYS 118 1HG LYS 118 16.969 1.752 1.752 1901 1HD LYS 118 2HD LYS 118 18.829 0.064 0.064 1902 2HD LYS 118 1HD LYS 118 18.130 -0.497 -0.497 1903 1HE LYS 118 2HE LYS 118 16.326 0.632 0.632 1904 2HE LYS 118 1HE LYS 118 16.962 -0.998 -0.998 1905 1HZ LYS 118 3HZ LYS 118 15.680 -0.214 -0.214 1906 2HZ LYS 118 2HZ LYS 118 14.745 -0.705 -0.705 1907 3HZ LYS 118 1HZ LYS 118 15.885 -1.762 -1.762 1908 H ASN 119 HN ASN 119 16.687 5.760 5.760 1909 HA ASN 119 HA ASN 119 15.881 5.952 5.952 1910 1HB ASN 119 2HB ASN 119 14.734 7.693 7.693 1911 2HB ASN 119 1HB ASN 119 15.055 8.071 8.071 1912 1HD2 ASN 119 2HD2 ASN 119 18.704 8.147 8.147 1913 2HD2 ASN 119 1HD2 ASN 119 17.747 7.019 7.019 1914 H LEU 120 HN LEU 120 14.130 4.944 4.944 1915 HA LEU 120 HA LEU 120 12.343 3.619 3.619 1916 1HB LEU 120 2HB LEU 120 11.786 3.748 3.748 1917 2HB LEU 120 1HB LEU 120 11.579 2.414 2.414 1918 HG LEU 120 HG LEU 120 14.179 3.376 3.376 1919 1HD1 LEU 120 2HD1 LEU 120 12.232 1.318 1.318 1920 2HD1 LEU 120 1HD1 LEU 120 13.882 0.711 0.711 1921 3HD1 LEU 120 3HD1 LEU 120 13.524 2.033 2.033 1922 1HD2 LEU 120 1HD2 LEU 120 13.922 2.319 2.319 1923 2HD2 LEU 120 3HD2 LEU 120 15.348 2.149 2.149 1924 3HD2 LEU 120 2HD2 LEU 120 14.137 0.867 0.867 1925 HA PRO 121 HA PRO 121 9.404 6.968 6.968 1926 1HB PRO 121 2HB PRO 121 7.462 5.813 5.813 1927 2HB PRO 121 1HB PRO 121 9.001 6.292 6.292 1928 1HG PRO 121 2HG PRO 121 8.080 3.584 3.584 1929 2HG PRO 121 1HG PRO 121 8.974 4.045 4.045 1930 1HD PRO 121 2HD PRO 121 10.138 2.981 2.981 1931 2HD PRO 121 1HD PRO 121 10.988 4.008 4.008 1932 H ILE 122 HN ILE 122 7.888 7.609 7.609 1933 HA ILE 122 HA ILE 122 6.466 5.540 5.540 1934 HB ILE 122 HB ILE 122 6.732 8.406 8.406 1935 1HG1 ILE 122 2HG1 ILE 122 9.000 7.460 7.460 1936 2HG1 ILE 122 1HG1 ILE 122 8.729 7.855 7.855 1937 1HG2 ILE 122 3HG2 ILE 122 5.610 5.973 5.973 1938 2HG2 ILE 122 2HG2 ILE 122 6.781 6.696 6.696 1939 3HG2 ILE 122 1HG2 ILE 122 5.406 7.643 7.643 1940 1HD1 ILE 122 2HD1 ILE 122 7.948 5.180 5.180 1941 2HD1 ILE 122 1HD1 ILE 122 9.479 5.369 5.369 1942 3HD1 ILE 122 3HD1 ILE 122 9.361 5.806 5.806 1943 H GLU 123 HN GLU 123 4.836 5.333 5.333 1944 HA GLU 123 HA GLU 123 3.252 7.517 7.517 1945 1HB GLU 123 2HB GLU 123 3.007 4.540 4.540 1946 2HB GLU 123 1HB GLU 123 1.605 5.526 5.526 1947 1HG GLU 123 2HG GLU 123 3.594 6.705 6.705 1948 2HG GLU 123 1HG GLU 123 4.015 4.994 4.994 1949 H TYR 124 HN TYR 124 0.938 7.753 7.753 1950 HA TYR 124 HA TYR 124 0.183 7.023 7.023 1951 1HB TYR 124 2HB TYR 124 -0.110 9.738 9.738 1952 2HB TYR 124 1HB TYR 124 -0.863 9.283 9.283 1953 HD1 TYR 124 1HD TYR 124 2.431 9.676 9.676 1954 HD2 TYR 124 2HD TYR 124 0.322 9.471 9.471 1955 HE1 TYR 124 1HE TYR 124 4.470 10.354 10.354 1956 HE2 TYR 124 2HE TYR 124 2.353 10.149 10.149 1957 HH TYR 124 HH TYR 124 4.554 11.553 11.553 1958 H ASN 125 HN ASN 125 -1.353 5.533 5.533 1959 HA ASN 125 HA ASN 125 -3.262 5.903 5.903 1960 1HB ASN 125 2HB ASN 125 -2.514 3.655 3.655 1961 2HB ASN 125 1HB ASN 125 -3.021 3.795 3.795 1962 1HD2 ASN 125 1HD2 ASN 125 -4.260 1.887 1.887 1963 2HD2 ASN 125 2HD2 ASN 125 -5.799 1.977 1.977 1964 H LEU 126 HN LEU 126 -4.196 7.900 7.900 1965 HA LEU 126 HA LEU 126 -5.472 8.286 8.286 1966 1HB LEU 126 2HB LEU 126 -6.015 9.500 9.500 1967 2HB LEU 126 1HB LEU 126 -6.778 10.048 10.048 1968 HG LEU 126 HG LEU 126 -3.794 10.055 10.055 1969 1HD1 LEU 126 2HD1 LEU 126 -5.597 11.660 11.660 1970 2HD1 LEU 126 1HD1 LEU 126 -5.168 12.623 12.623 1971 3HD1 LEU 126 3HD1 LEU 126 -3.908 12.058 12.058 1972 1HD2 LEU 126 3HD2 LEU 126 -4.499 9.958 9.958 1973 2HD2 LEU 126 2HD2 LEU 126 -3.756 11.509 11.509 1974 3HD2 LEU 126 1HD2 LEU 126 -5.509 11.382 11.382 Start of MODEL 16 1 1H ALA 1 2HN ALA 1 -42.121 5.541 5.541 2 2H ALA 1 1HN ALA 1 -41.907 6.795 6.795 3 3H ALA 1 3HN ALA 1 -43.292 5.789 5.789 4 HA ALA 1 HA ALA 1 -44.161 6.652 6.652 5 1HB ALA 1 1HB ALA 1 -43.660 8.194 8.194 6 2HB ALA 1 3HB ALA 1 -43.440 9.265 9.265 7 3HB ALA 1 2HB ALA 1 -44.958 8.392 8.392 8 H GLN 2 HN GLN 2 -41.158 8.465 8.465 9 HA GLN 2 HA GLN 2 -40.936 9.138 9.138 10 1HB GLN 2 2HB GLN 2 -39.553 10.035 10.035 11 2HB GLN 2 1HB GLN 2 -38.804 10.331 10.331 12 1HG GLN 2 2HG GLN 2 -40.163 12.030 12.030 13 2HG GLN 2 1HG GLN 2 -41.592 11.106 11.106 14 1HE2 GLN 2 2HE2 GLN 2 -40.659 14.092 14.092 15 2HE2 GLN 2 1HE2 GLN 2 -40.429 13.906 13.906 16 H SER 3 HN SER 3 -39.437 8.349 8.349 17 HA SER 3 HA SER 3 -37.504 6.396 6.396 18 1HB SER 3 2HB SER 3 -39.263 5.144 5.144 19 2HB SER 3 1HB SER 3 -39.174 6.178 6.178 20 HG SER 3 HG SER 3 -37.898 4.597 4.597 21 H VAL 4 HN VAL 4 -35.450 6.632 6.632 22 HA VAL 4 HA VAL 4 -34.922 8.492 8.492 23 HB VAL 4 HB VAL 4 -32.774 9.053 9.053 24 1HG1 VAL 4 1HG1 VAL 4 -35.456 9.909 9.909 25 2HG1 VAL 4 3HG1 VAL 4 -33.933 10.714 10.714 26 3HG1 VAL 4 2HG1 VAL 4 -34.525 10.677 10.677 27 1HG2 VAL 4 3HG2 VAL 4 -33.695 7.083 7.083 28 2HG2 VAL 4 2HG2 VAL 4 -32.362 8.201 8.201 29 3HG2 VAL 4 1HG2 VAL 4 -33.982 8.595 8.595 30 HA PRO 5 HA PRO 5 -32.553 5.162 5.162 31 1HB PRO 5 2HB PRO 5 -31.019 6.555 6.555 32 2HB PRO 5 1HB PRO 5 -32.740 6.257 6.257 33 1HG PRO 5 2HG PRO 5 -31.388 8.707 8.707 34 2HG PRO 5 1HG PRO 5 -32.706 8.580 8.580 35 1HD PRO 5 2HD PRO 5 -33.130 9.192 9.192 36 2HD PRO 5 1HD PRO 5 -34.307 8.290 8.290 37 HA PRO 6 HA PRO 6 -28.693 4.989 4.989 38 1HB PRO 6 2HB PRO 6 -27.260 3.315 3.315 39 2HB PRO 6 1HB PRO 6 -28.609 2.763 2.763 40 1HG PRO 6 2HG PRO 6 -28.550 3.392 3.392 41 2HG PRO 6 1HG PRO 6 -29.323 2.034 2.034 42 1HD PRO 6 2HD PRO 6 -30.697 4.221 4.221 43 2HD PRO 6 1HD PRO 6 -31.154 3.288 3.288 44 H GLY 7 HN GLY 7 -27.397 6.718 6.718 45 1HA GLY 7 2HA GLY 7 -26.603 8.316 8.316 46 2HA GLY 7 1HA GLY 7 -25.770 8.229 8.229 47 H ASP 8 HN ASP 8 -25.455 7.783 7.783 48 HA ASP 8 HA ASP 8 -23.877 5.547 5.547 49 1HB ASP 8 2HB ASP 8 -24.711 7.149 7.149 50 2HB ASP 8 1HB ASP 8 -23.348 8.186 8.186 51 H ILE 9 HN ILE 9 -21.671 5.119 5.119 52 HA ILE 9 HA ILE 9 -20.139 6.953 6.953 53 HB ILE 9 HB ILE 9 -18.813 5.034 5.034 54 1HG1 ILE 9 2HG1 ILE 9 -20.637 3.038 3.038 55 2HG1 ILE 9 1HG1 ILE 9 -19.578 3.857 3.857 56 1HG2 ILE 9 2HG2 ILE 9 -21.657 5.317 5.317 57 2HG2 ILE 9 1HG2 ILE 9 -21.101 3.665 3.665 58 3HG2 ILE 9 3HG2 ILE 9 -20.347 5.002 5.002 59 1HD1 ILE 9 2HD1 ILE 9 -18.006 3.106 3.106 60 2HD1 ILE 9 1HD1 ILE 9 -18.983 1.714 1.714 61 3HD1 ILE 9 3HD1 ILE 9 -17.938 2.495 2.495 62 H ASN 10 HN ASN 10 -18.006 7.444 7.444 63 HA ASN 10 HA ASN 10 -17.307 7.060 7.060 64 1HB ASN 10 2HB ASN 10 -16.833 9.144 9.144 65 2HB ASN 10 1HB ASN 10 -15.383 8.722 8.722 66 1HD2 ASN 10 2HD2 ASN 10 -18.365 10.835 10.835 67 2HD2 ASN 10 1HD2 ASN 10 -18.445 10.252 10.252 68 H THR 11 HN THR 11 -15.441 6.074 6.074 69 HA THR 11 HA THR 11 -13.760 4.852 4.852 70 HB THR 11 HB THR 11 -13.541 2.986 2.986 71 HG1 THR 11 1HG THR 11 -15.313 2.771 2.771 72 1HG2 THR 11 3HG2 THR 11 -14.466 2.796 2.796 73 2HG2 THR 11 2HG2 THR 11 -16.051 2.929 2.929 74 3HG2 THR 11 1HG2 THR 11 -14.971 1.604 1.604 75 H GLN 12 HN GLN 12 -11.584 4.652 4.652 76 HA GLN 12 HA GLN 12 -10.596 5.778 5.778 77 1HB GLN 12 2HB GLN 12 -9.680 6.550 6.550 78 2HB GLN 12 1HB GLN 12 -8.844 7.000 7.000 79 1HG GLN 12 2HG GLN 12 -10.397 8.551 8.551 80 2HG GLN 12 1HG GLN 12 -11.720 7.674 7.674 81 1HE2 GLN 12 2HE2 GLN 12 -10.616 10.830 10.830 82 2HE2 GLN 12 1HE2 GLN 12 -10.779 10.509 10.509 83 HA PRO 13 HA PRO 13 -9.114 5.377 5.377 84 1HB PRO 13 2HB PRO 13 -9.083 2.705 2.705 85 2HB PRO 13 1HB PRO 13 -8.108 4.131 4.131 86 1HG PRO 13 2HG PRO 13 -7.045 1.999 1.999 87 2HG PRO 13 1HG PRO 13 -6.544 3.649 3.649 88 1HD PRO 13 2HD PRO 13 -8.414 1.812 1.812 89 2HD PRO 13 1HD PRO 13 -7.154 2.882 2.882 90 H SER 14 HN SER 14 -10.826 5.527 5.527 91 HA SER 14 HA SER 14 -13.358 4.822 4.822 92 1HB SER 14 2HB SER 14 -12.660 6.777 6.777 93 2HB SER 14 1HB SER 14 -12.959 5.609 5.609 94 HG SER 14 HG SER 14 -14.746 7.080 7.080 95 H GLN 15 HN GLN 15 -11.288 3.351 3.351 96 HA GLN 15 HA GLN 15 -12.510 0.844 0.844 97 1HB GLN 15 2HB GLN 15 -14.187 2.453 2.453 98 2HB GLN 15 1HB GLN 15 -13.188 1.896 1.896 99 1HG GLN 15 2HG GLN 15 -13.967 -0.223 -0.223 100 2HG GLN 15 1HG GLN 15 -14.191 -0.167 -0.167 101 1HE2 GLN 15 2HE2 GLN 15 -17.532 -0.331 -0.331 102 2HE2 GLN 15 1HE2 GLN 15 -16.131 -1.336 -1.336 103 H LYS 16 HN LYS 16 -9.920 1.493 1.493 104 HA LYS 16 HA LYS 16 -8.791 -0.129 -0.129 105 1HB LYS 16 2HB LYS 16 -7.285 1.904 1.904 106 2HB LYS 16 1HB LYS 16 -8.777 1.442 1.442 107 1HG LYS 16 2HG LYS 16 -9.983 3.202 3.202 108 2HG LYS 16 1HG LYS 16 -8.588 3.594 3.594 109 1HD LYS 16 2HD LYS 16 -8.463 5.206 5.206 110 2HD LYS 16 1HD LYS 16 -7.379 3.957 3.957 111 1HE LYS 16 2HE LYS 16 -9.499 3.070 3.070 112 2HE LYS 16 1HE LYS 16 -10.140 4.685 4.685 113 1HZ LYS 16 2HZ LYS 16 -7.487 4.700 4.700 114 2HZ LYS 16 1HZ LYS 16 -8.618 3.965 3.965 115 3HZ LYS 16 3HZ LYS 16 -8.864 5.553 5.553 116 H ILE 17 HN ILE 17 -7.446 -1.159 -1.159 117 HA ILE 17 HA ILE 17 -5.493 0.436 0.436 118 HB ILE 17 HB ILE 17 -7.167 -0.429 -0.429 119 1HG1 ILE 17 2HG1 ILE 17 -4.534 -1.909 -1.909 120 2HG1 ILE 17 1HG1 ILE 17 -4.789 -0.232 -0.232 121 1HG2 ILE 17 1HG2 ILE 17 -7.470 -2.516 -2.516 122 2HG2 ILE 17 3HG2 ILE 17 -6.330 -3.234 -3.234 123 3HG2 ILE 17 2HG2 ILE 17 -7.866 -2.589 -2.589 124 1HD1 ILE 17 3HD1 ILE 17 -6.345 -2.498 -2.498 125 2HD1 ILE 17 2HD1 ILE 17 -4.799 -1.950 -1.950 126 3HD1 ILE 17 1HD1 ILE 17 -6.174 -0.847 -0.847 127 H VAL 18 HN VAL 18 -3.465 -0.636 -0.636 128 HA VAL 18 HA VAL 18 -2.968 -2.995 -2.995 129 HB VAL 18 HB VAL 18 -1.235 -0.519 -0.519 130 1HG1 VAL 18 1HG1 VAL 18 0.050 -2.621 -2.621 131 2HG1 VAL 18 3HG1 VAL 18 -0.891 -3.075 -3.075 132 3HG1 VAL 18 2HG1 VAL 18 0.159 -1.658 -1.658 133 1HG2 VAL 18 1HG2 VAL 18 -3.523 -0.892 -0.892 134 2HG2 VAL 18 3HG2 VAL 18 -2.183 0.143 0.143 135 3HG2 VAL 18 2HG2 VAL 18 -2.301 -1.501 -1.501 136 H PHE 19 HN PHE 19 -2.674 -4.386 -4.386 137 HA PHE 19 HA PHE 19 -1.196 -3.809 -3.809 138 1HB PHE 19 2HB PHE 19 -1.888 -6.440 -6.440 139 2HB PHE 19 1HB PHE 19 -1.100 -6.320 -6.320 140 HD1 PHE 19 2HD PHE 19 -2.592 -3.976 -3.976 141 HD2 PHE 19 1HD PHE 19 -3.930 -7.420 -7.420 142 HE1 PHE 19 2HE PHE 19 -4.790 -3.786 -3.786 143 HE2 PHE 19 1HE PHE 19 -6.131 -7.235 -7.235 144 HZ PHE 19 HZ PHE 19 -6.562 -5.416 -5.416 145 H ASN 20 HN ASN 20 0.823 -3.017 -3.017 146 HA ASN 20 HA ASN 20 2.615 -3.929 -3.929 147 1HB ASN 20 2HB ASN 20 3.379 -2.448 -2.448 148 2HB ASN 20 1HB ASN 20 4.207 -2.438 -2.438 149 1HD2 ASN 20 2HD2 ASN 20 1.577 0.371 0.371 150 2HD2 ASN 20 1HD2 ASN 20 2.391 -0.617 -0.617 151 H ALA 21 HN ALA 21 4.562 -5.056 -5.056 152 HA ALA 21 HA ALA 21 4.527 -7.468 -7.468 153 1HB ALA 21 1HB ALA 21 6.344 -6.013 -6.013 154 2HB ALA 21 3HB ALA 21 7.241 -6.600 -6.600 155 3HB ALA 21 2HB ALA 21 6.363 -7.736 -7.736 156 HA PRO 22 HA PRO 22 6.673 -8.622 -8.622 157 1HB PRO 22 2HB PRO 22 7.524 -10.218 -10.218 158 2HB PRO 22 1HB PRO 22 8.453 -8.787 -8.787 159 1HG PRO 22 2HG PRO 22 6.657 -9.209 -9.209 160 2HG PRO 22 1HG PRO 22 8.197 -8.338 -8.338 161 1HD PRO 22 2HD PRO 22 5.662 -7.174 -7.174 162 2HD PRO 22 1HD PRO 22 7.173 -6.400 -6.400 163 H TYR 23 HN TYR 23 6.092 -10.913 -10.913 164 HA TYR 23 HA TYR 23 3.399 -11.353 -11.353 165 1HB TYR 23 2HB TYR 23 4.669 -12.515 -12.515 166 2HB TYR 23 1HB TYR 23 3.063 -12.922 -12.922 167 HD1 TYR 23 2HD TYR 23 2.710 -9.846 -9.846 168 HD2 TYR 23 1HD TYR 23 3.615 -11.858 -11.858 169 HE1 TYR 23 2HE TYR 23 1.768 -7.968 -7.968 170 HE2 TYR 23 1HE TYR 23 2.672 -9.979 -9.979 171 HH TYR 23 HH TYR 23 0.760 -7.598 -7.598 172 H ASP 24 HN ASP 24 6.181 -11.974 -11.974 173 HA ASP 24 HA ASP 24 5.883 -14.875 -14.875 174 1HB ASP 24 2HB ASP 24 8.131 -13.375 -13.375 175 2HB ASP 24 1HB ASP 24 8.257 -13.646 -13.646 176 H ASP 25 HN ASP 25 4.791 -12.191 -12.191 177 HA ASP 25 HA ASP 25 4.636 -13.544 -13.544 178 1HB ASP 25 2HB ASP 25 6.285 -11.223 -11.223 179 2HB ASP 25 1HB ASP 25 5.010 -10.836 -10.836 180 H LYS 26 HN LYS 26 3.323 -11.690 -11.690 181 HA LYS 26 HA LYS 26 0.842 -11.381 -11.381 182 1HB LYS 26 2HB LYS 26 0.943 -10.908 -10.908 183 2HB LYS 26 1HB LYS 26 -0.337 -11.606 -11.606 184 1HG LYS 26 2HG LYS 26 1.371 -13.561 -13.561 185 2HG LYS 26 1HG LYS 26 2.077 -12.900 -12.900 186 1HD LYS 26 2HD LYS 26 0.153 -13.319 -13.319 187 2HD LYS 26 1HD LYS 26 -0.862 -13.464 -13.464 188 1HE LYS 26 2HE LYS 26 -0.630 -15.669 -15.669 189 2HE LYS 26 1HE LYS 26 0.670 -15.495 -15.495 190 1HZ LYS 26 2HZ LYS 26 1.799 -14.779 -14.779 191 2HZ LYS 26 1HZ LYS 26 0.820 -16.099 -16.099 192 3HZ LYS 26 3HZ LYS 26 2.005 -16.255 -16.255 193 H HIS 27 HN HIS 27 0.746 -9.471 -9.471 194 HA HIS 27 HA HIS 27 1.717 -7.075 -7.075 195 1HB HIS 27 2HB HIS 27 1.894 -7.886 -7.886 196 2HB HIS 27 1HB HIS 27 0.582 -6.712 -6.712 197 HD1 HIS 27 1HD HIS 27 1.806 -4.766 -4.766 198 HD2 HIS 27 2HD HIS 27 3.806 -6.321 -6.321 199 HE1 HIS 27 1HE HIS 27 3.716 -3.181 -3.181 200 H THR 28 HN THR 28 0.351 -5.818 -5.818 201 HA THR 28 HA THR 28 -2.521 -6.059 -6.059 202 HB THR 28 HB THR 28 -1.254 -4.905 -4.905 203 HG1 THR 28 1HG THR 28 -0.776 -6.879 -6.879 204 1HG2 THR 28 1HG2 THR 28 -3.762 -4.553 -4.553 205 2HG2 THR 28 3HG2 THR 28 -3.923 -6.202 -6.202 206 3HG2 THR 28 2HG2 THR 28 -3.303 -4.933 -4.933 207 H TYR 29 HN TYR 29 -3.168 -4.526 -4.526 208 HA TYR 29 HA TYR 29 -2.044 -1.830 -1.830 209 1HB TYR 29 2HB TYR 29 -3.696 -3.200 -3.200 210 2HB TYR 29 1HB TYR 29 -3.369 -1.471 -1.471 211 HD1 TYR 29 1HD TYR 29 -1.776 -4.810 -4.810 212 HD2 TYR 29 2HD TYR 29 -1.293 -0.634 -0.634 213 HE1 TYR 29 1HE TYR 29 0.365 -5.241 -5.241 214 HE2 TYR 29 2HE TYR 29 0.847 -1.053 -1.053 215 HH TYR 29 HH TYR 29 2.621 -3.550 -3.550 216 H HIS 30 HN HIS 30 -3.135 -0.234 -0.234 217 HA HIS 30 HA HIS 30 -5.799 -0.771 -0.771 218 1HB HIS 30 2HB HIS 30 -3.820 1.452 1.452 219 2HB HIS 30 1HB HIS 30 -5.461 1.519 1.519 220 HD1 HIS 30 1HD HIS 30 -2.698 -1.134 -1.134 221 HD2 HIS 30 2HD HIS 30 -5.479 0.716 0.716 222 HE1 HIS 30 1HE HIS 30 -2.402 -2.157 -2.157 223 H ILE 31 HN ILE 31 -7.651 0.291 0.291 224 HA ILE 31 HA ILE 31 -7.544 2.079 2.079 225 HB ILE 31 HB ILE 31 -9.866 0.353 0.353 226 1HG1 ILE 31 2HG1 ILE 31 -7.769 -0.082 -0.082 227 2HG1 ILE 31 1HG1 ILE 31 -8.091 -1.101 -1.101 228 1HG2 ILE 31 1HG2 ILE 31 -10.517 2.353 2.353 229 2HG2 ILE 31 3HG2 ILE 31 -9.389 1.942 1.942 230 3HG2 ILE 31 2HG2 ILE 31 -10.782 0.908 0.908 231 1HD1 ILE 31 2HD1 ILE 31 -10.282 -1.666 -1.666 232 2HD1 ILE 31 1HD1 ILE 31 -9.931 -0.666 -0.666 233 3HD1 ILE 31 3HD1 ILE 31 -8.965 -2.106 -2.106 234 H LYS 32 HN LYS 32 -9.077 3.824 3.824 235 HA LYS 32 HA LYS 32 -9.735 4.795 4.795 236 1HB LYS 32 2HB LYS 32 -8.967 6.104 6.104 237 2HB LYS 32 1HB LYS 32 -10.105 6.971 6.971 238 1HG LYS 32 2HG LYS 32 -8.477 6.695 6.695 239 2HG LYS 32 1HG LYS 32 -7.324 6.071 6.071 240 1HD LYS 32 2HD LYS 32 -8.324 8.442 8.442 241 2HD LYS 32 1HD LYS 32 -8.034 8.796 8.796 242 1HE LYS 32 2HE LYS 32 -5.955 7.338 7.338 243 2HE LYS 32 1HE LYS 32 -6.122 9.082 9.082 244 1HZ LYS 32 3HZ LYS 32 -6.033 9.093 9.093 245 2HZ LYS 32 2HZ LYS 32 -5.329 7.565 7.565 246 3HZ LYS 32 1HZ LYS 32 -4.594 8.918 8.918 247 H ILE 33 HN ILE 33 -11.760 4.698 4.698 248 HA ILE 33 HA ILE 33 -13.913 4.785 4.785 249 HB ILE 33 HB ILE 33 -13.967 3.398 3.398 250 1HG1 ILE 33 2HG1 ILE 33 -13.980 2.191 2.191 251 2HG1 ILE 33 1HG1 ILE 33 -12.554 2.291 2.291 252 1HG2 ILE 33 3HG2 ILE 33 -16.034 3.925 3.925 253 2HG2 ILE 33 2HG2 ILE 33 -16.102 2.418 2.418 254 3HG2 ILE 33 1HG2 ILE 33 -16.166 3.965 3.965 255 1HD1 ILE 33 3HD1 ILE 33 -14.020 1.021 1.021 256 2HD1 ILE 33 2HD1 ILE 33 -14.991 0.602 0.602 257 3HD1 ILE 33 1HD1 ILE 33 -13.289 0.145 0.145 258 H THR 34 HN THR 34 -15.731 6.049 6.049 259 HA THR 34 HA THR 34 -15.797 7.576 7.576 260 HB THR 34 HB THR 34 -15.554 8.859 8.859 261 HG1 THR 34 1HG THR 34 -13.580 8.377 8.377 262 1HG2 THR 34 3HG2 THR 34 -16.152 10.186 10.186 263 2HG2 THR 34 2HG2 THR 34 -15.752 11.013 11.013 264 3HG2 THR 34 1HG2 THR 34 -17.240 10.072 10.072 265 H ASN 35 HN ASN 35 -17.774 8.761 8.761 266 HA ASN 35 HA ASN 35 -20.014 7.575 7.575 267 1HB ASN 35 2HB ASN 35 -20.051 6.908 6.908 268 2HB ASN 35 1HB ASN 35 -19.882 8.581 8.581 269 1HD2 ASN 35 2HD2 ASN 35 -23.439 7.653 7.653 270 2HD2 ASN 35 1HD2 ASN 35 -21.943 7.139 7.139 271 H ALA 36 HN ALA 36 -20.863 8.948 8.948 272 HA ALA 36 HA ALA 36 -20.698 11.826 11.826 273 1HB ALA 36 3HB ALA 36 -19.963 10.817 10.817 274 2HB ALA 36 2HB ALA 36 -21.660 10.454 10.454 275 3HB ALA 36 1HB ALA 36 -21.136 12.128 12.128 276 H GLY 37 HN GLY 37 -22.614 9.923 9.923 277 1HA GLY 37 2HA GLY 37 -25.162 11.030 11.030 278 2HA GLY 37 1HA GLY 37 -24.994 9.590 9.590 279 H GLY 38 HN GLY 38 -26.618 10.536 10.536 280 1HA GLY 38 2HA GLY 38 -25.436 12.513 12.513 281 2HA GLY 38 1HA GLY 38 -27.111 12.634 12.634 282 H ARG 39 HN ARG 39 -25.895 9.459 9.459 283 HA ARG 39 HA ARG 39 -26.682 9.307 9.307 284 1HB ARG 39 2HB ARG 39 -28.375 8.272 8.272 285 2HB ARG 39 1HB ARG 39 -28.215 7.269 7.269 286 1HG ARG 39 2HG ARG 39 -29.156 8.938 8.938 287 2HG ARG 39 1HG ARG 39 -29.043 10.154 10.154 288 1HD ARG 39 2HD ARG 39 -30.608 7.719 7.719 289 2HD ARG 39 1HD ARG 39 -31.302 8.836 8.836 290 HE ARG 39 HE ARG 39 -31.011 9.253 9.253 291 1HH1 ARG 39 1HH2 ARG 39 -31.352 10.785 10.785 292 2HH1 ARG 39 2HH2 ARG 39 -32.004 12.252 12.252 293 1HH2 ARG 39 1HH1 ARG 39 -31.870 11.179 11.179 294 2HH2 ARG 39 2HH1 ARG 39 -32.298 12.478 12.478 295 H ARG 40 HN ARG 40 -26.267 7.170 7.170 296 HA ARG 40 HA ARG 40 -23.786 6.140 6.140 297 1HB ARG 40 2HB ARG 40 -25.987 5.146 5.146 298 2HB ARG 40 1HB ARG 40 -24.594 4.124 4.124 299 1HG ARG 40 2HG ARG 40 -23.457 5.179 5.179 300 2HG ARG 40 1HG ARG 40 -23.625 6.694 6.694 301 1HD ARG 40 2HD ARG 40 -24.675 7.336 7.336 302 2HD ARG 40 1HD ARG 40 -26.055 6.577 6.577 303 HE ARG 40 HE ARG 40 -24.793 4.587 4.587 304 1HH1 ARG 40 1HH2 ARG 40 -26.357 7.627 7.627 305 2HH1 ARG 40 2HH2 ARG 40 -26.885 7.157 7.157 306 1HH2 ARG 40 1HH1 ARG 40 -25.480 3.958 3.958 307 2HH2 ARG 40 2HH1 ARG 40 -26.385 5.070 5.070 308 H ILE 41 HN ILE 41 -23.178 4.123 4.123 309 HA ILE 41 HA ILE 41 -25.220 2.611 2.611 310 HB ILE 41 HB ILE 41 -23.815 2.749 2.749 311 1HG1 ILE 41 2HG1 ILE 41 -22.936 5.405 5.405 312 2HG1 ILE 41 1HG1 ILE 41 -21.945 3.964 3.964 313 1HG2 ILE 41 2HG2 ILE 41 -26.052 3.986 3.986 314 2HG2 ILE 41 1HG2 ILE 41 -25.026 5.408 5.408 315 3HG2 ILE 41 3HG2 ILE 41 -25.239 4.300 4.300 316 1HD1 ILE 41 3HD1 ILE 41 -22.003 3.697 3.697 317 2HD1 ILE 41 2HD1 ILE 41 -22.768 5.283 5.283 318 3HD1 ILE 41 1HD1 ILE 41 -21.143 5.120 5.120 319 H GLY 42 HN GLY 42 -24.774 0.524 0.524 320 1HA GLY 42 2HA GLY 42 -22.202 -0.358 -0.358 321 2HA GLY 42 1HA GLY 42 -23.580 -1.384 -1.384 322 H TRP 43 HN TRP 43 -21.089 -2.255 -2.255 323 HA TRP 43 HA TRP 43 -21.430 -2.473 -2.473 324 1HB TRP 43 2HB TRP 43 -19.300 -1.468 -1.468 325 2HB TRP 43 1HB TRP 43 -20.364 -0.276 -0.276 326 HD1 TRP 43 1HD TRP 43 -19.673 0.622 0.622 327 HE1 TRP 43 1HE TRP 43 -17.384 0.727 0.727 328 HE3 TRP 43 3HE TRP 43 -17.097 -2.666 -2.666 329 HZ2 TRP 43 2HZ TRP 43 -14.826 -0.433 -0.433 330 HZ3 TRP 43 3HZ TRP 43 -14.734 -3.112 -3.112 331 HH2 TRP 43 2HH TRP 43 -13.623 -2.018 -2.018 332 H ALA 44 HN ALA 44 -20.011 -3.949 -3.949 333 HA ALA 44 HA ALA 44 -18.172 -5.458 -5.458 334 1HB ALA 44 1HB ALA 44 -20.307 -6.593 -6.593 335 2HB ALA 44 3HB ALA 44 -20.508 -6.752 -6.752 336 3HB ALA 44 2HB ALA 44 -19.200 -7.606 -7.606 337 H ILE 45 HN ILE 45 -16.776 -6.863 -6.863 338 HA ILE 45 HA ILE 45 -16.650 -6.076 -6.076 339 HB ILE 45 HB ILE 45 -14.276 -6.704 -6.704 340 1HG1 ILE 45 2HG1 ILE 45 -15.508 -4.608 -4.608 341 2HG1 ILE 45 1HG1 ILE 45 -13.842 -4.352 -4.352 342 1HG2 ILE 45 2HG2 ILE 45 -14.662 -6.040 -6.040 343 2HG2 ILE 45 1HG2 ILE 45 -13.273 -5.317 -5.317 344 3HG2 ILE 45 3HG2 ILE 45 -13.459 -7.071 -7.071 345 1HD1 ILE 45 2HD1 ILE 45 -15.669 -4.147 -4.147 346 2HD1 ILE 45 1HD1 ILE 45 -16.092 -3.033 -3.033 347 3HD1 ILE 45 3HD1 ILE 45 -14.476 -2.992 -2.992 348 H LYS 46 HN LYS 46 -16.376 -7.626 -7.626 349 HA LYS 46 HA LYS 46 -15.590 -10.315 -10.315 350 1HB LYS 46 2HB LYS 46 -17.485 -11.162 -11.162 351 2HB LYS 46 1HB LYS 46 -17.876 -10.696 -10.696 352 1HG LYS 46 2HG LYS 46 -19.387 -9.276 -9.276 353 2HG LYS 46 1HG LYS 46 -18.117 -8.383 -8.383 354 1HD LYS 46 2HD LYS 46 -19.858 -9.060 -9.060 355 2HD LYS 46 1HD LYS 46 -18.345 -9.891 -9.891 356 1HE LYS 46 2HE LYS 46 -19.607 -11.743 -11.743 357 2HE LYS 46 1HE LYS 46 -19.522 -11.633 -11.633 358 1HZ LYS 46 1HZ LYS 46 -21.586 -9.984 -9.984 359 2HZ LYS 46 3HZ LYS 46 -21.769 -11.291 -11.291 360 3HZ LYS 46 2HZ LYS 46 -21.729 -11.555 -11.555 361 H THR 47 HN THR 47 -14.156 -11.126 -11.126 362 HA THR 47 HA THR 47 -13.946 -9.942 -9.942 363 HB THR 47 HB THR 47 -11.582 -10.428 -10.428 364 HG1 THR 47 1HG THR 47 -12.151 -11.664 -11.664 365 1HG2 THR 47 3HG2 THR 47 -12.694 -8.503 -8.503 366 2HG2 THR 47 2HG2 THR 47 -11.748 -9.387 -9.387 367 3HG2 THR 47 1HG2 THR 47 -10.959 -8.721 -8.721 368 H THR 48 HN THR 48 -13.080 -11.353 -11.353 369 HA THR 48 HA THR 48 -14.611 -13.552 -13.552 370 HB THR 48 HB THR 48 -12.423 -14.236 -14.236 371 HG1 THR 48 1HG THR 48 -11.018 -12.777 -12.777 372 1HG2 THR 48 1HG2 THR 48 -14.510 -12.200 -12.200 373 2HG2 THR 48 3HG2 THR 48 -13.115 -12.199 -12.199 374 3HG2 THR 48 2HG2 THR 48 -14.104 -13.651 -13.651 375 H ASN 49 HN ASN 49 -11.751 -13.386 -13.386 376 HA ASN 49 HA ASN 49 -12.071 -16.241 -16.241 377 1HB ASN 49 2HB ASN 49 -9.392 -14.854 -14.854 378 2HB ASN 49 1HB ASN 49 -9.695 -16.572 -16.572 379 1HD2 ASN 49 2HD2 ASN 49 -9.676 -17.278 -17.278 380 2HD2 ASN 49 1HD2 ASN 49 -9.558 -17.806 -17.806 381 H MET 50 HN MET 50 -12.530 -16.517 -16.517 382 HA MET 50 HA MET 50 -11.960 -14.373 -14.373 383 1HB MET 50 2HB MET 50 -13.811 -16.707 -16.707 384 2HB MET 50 1HB MET 50 -13.303 -16.099 -16.099 385 1HG MET 50 2HG MET 50 -14.314 -14.162 -14.162 386 2HG MET 50 1HG MET 50 -15.468 -15.208 -15.208 387 1HE MET 50 2HE MET 50 -13.883 -12.201 -12.201 388 2HE MET 50 1HE MET 50 -14.272 -11.300 -11.300 389 3HE MET 50 3HE MET 50 -12.713 -12.114 -12.114 390 H ARG 51 HN ARG 51 -10.069 -16.656 -16.656 391 HA ARG 51 HA ARG 51 -9.038 -17.440 -17.440 392 1HB ARG 51 2HB ARG 51 -8.339 -18.882 -18.882 393 2HB ARG 51 1HB ARG 51 -8.265 -19.466 -19.466 394 1HG ARG 51 2HG ARG 51 -10.960 -18.812 -18.812 395 2HG ARG 51 1HG ARG 51 -10.355 -19.750 -19.750 396 1HD ARG 51 2HD ARG 51 -9.336 -21.192 -21.192 397 2HD ARG 51 1HD ARG 51 -10.765 -20.540 -20.540 398 HE ARG 51 HE ARG 51 -11.561 -21.547 -21.547 399 1HH1 ARG 51 1HH2 ARG 51 -10.258 -22.710 -22.710 400 2HH1 ARG 51 2HH2 ARG 51 -11.012 -24.265 -24.265 401 1HH2 ARG 51 1HH1 ARG 51 -12.557 -23.591 -23.591 402 2HH2 ARG 51 2HH1 ARG 51 -12.319 -24.766 -24.766 403 H ARG 52 HN ARG 52 -7.979 -16.777 -16.777 404 HA ARG 52 HA ARG 52 -5.284 -16.234 -16.234 405 1HB ARG 52 2HB ARG 52 -6.708 -15.646 -15.646 406 2HB ARG 52 1HB ARG 52 -4.972 -15.537 -15.537 407 1HG ARG 52 2HG ARG 52 -6.618 -18.047 -18.047 408 2HG ARG 52 1HG ARG 52 -5.604 -17.602 -17.602 409 1HD ARG 52 2HD ARG 52 -3.954 -18.700 -18.700 410 2HD ARG 52 1HD ARG 52 -3.910 -17.361 -17.361 411 HE ARG 52 HE ARG 52 -4.669 -18.813 -18.813 412 1HH1 ARG 52 1HH2 ARG 52 -5.703 -19.957 -19.957 413 2HH1 ARG 52 2HH2 ARG 52 -6.455 -21.387 -21.387 414 1HH2 ARG 52 1HH1 ARG 52 -5.656 -20.693 -20.693 415 2HH2 ARG 52 2HH1 ARG 52 -6.428 -21.804 -21.804 416 H LEU 53 HN LEU 53 -8.178 -14.362 -14.362 417 HA LEU 53 HA LEU 53 -6.653 -11.895 -11.895 418 1HB LEU 53 2HB LEU 53 -9.430 -11.926 -11.926 419 2HB LEU 53 1HB LEU 53 -8.225 -10.654 -10.654 420 HG LEU 53 HG LEU 53 -7.791 -13.270 -13.270 421 1HD1 LEU 53 3HD1 LEU 53 -9.447 -10.933 -10.933 422 2HD1 LEU 53 2HD1 LEU 53 -8.659 -12.011 -12.011 423 3HD1 LEU 53 1HD1 LEU 53 -9.854 -12.648 -12.648 424 1HD2 LEU 53 3HD2 LEU 53 -6.718 -10.475 -10.475 425 2HD2 LEU 53 2HD2 LEU 53 -5.836 -11.960 -11.960 426 3HD2 LEU 53 1HD2 LEU 53 -6.504 -11.691 -11.691 427 H SER 54 HN SER 54 -6.919 -11.050 -11.050 428 HA SER 54 HA SER 54 -9.395 -11.680 -11.680 429 1HB SER 54 2HB SER 54 -6.993 -12.548 -12.548 430 2HB SER 54 1HB SER 54 -6.925 -10.943 -10.943 431 HG SER 54 HG SER 54 -8.628 -13.092 -13.092 432 H VAL 55 HN VAL 55 -10.127 -10.071 -10.071 433 HA VAL 55 HA VAL 55 -9.281 -7.339 -7.339 434 HB VAL 55 HB VAL 55 -11.808 -6.901 -6.901 435 1HG1 VAL 55 3HG1 VAL 55 -10.376 -6.659 -6.659 436 2HG1 VAL 55 2HG1 VAL 55 -11.711 -7.695 -7.695 437 3HG1 VAL 55 1HG1 VAL 55 -12.041 -6.122 -6.122 438 1HG2 VAL 55 3HG2 VAL 55 -12.259 -9.325 -9.325 439 2HG2 VAL 55 2HG2 VAL 55 -13.331 -8.539 -8.539 440 3HG2 VAL 55 1HG2 VAL 55 -11.992 -9.535 -9.535 441 H ASP 56 HN ASP 56 -9.548 -5.746 -5.746 442 HA ASP 56 HA ASP 56 -10.301 -6.468 -6.468 443 1HB ASP 56 2HB ASP 56 -8.103 -7.600 -7.600 444 2HB ASP 56 1HB ASP 56 -7.348 -6.052 -6.052 445 HA PRO 57 HA PRO 57 -11.464 -5.564 -5.564 446 1HB PRO 57 2HB PRO 57 -13.611 -3.959 -3.959 447 2HB PRO 57 1HB PRO 57 -12.194 -3.779 -3.779 448 1HG PRO 57 2HG PRO 57 -12.963 -2.220 -2.220 449 2HG PRO 57 1HG PRO 57 -12.325 -1.633 -1.633 450 1HD PRO 57 2HD PRO 57 -10.786 -1.972 -1.972 451 2HD PRO 57 1HD PRO 57 -10.155 -2.111 -2.111 452 HA PRO 58 HA PRO 58 -13.603 -7.054 -7.054 453 1HB PRO 58 2HB PRO 58 -15.176 -8.912 -8.912 454 2HB PRO 58 1HB PRO 58 -13.448 -9.153 -9.153 455 1HG PRO 58 2HG PRO 58 -14.860 -8.305 -8.305 456 2HG PRO 58 1HG PRO 58 -13.529 -9.460 -9.460 457 1HD PRO 58 2HD PRO 58 -13.139 -6.918 -6.918 458 2HD PRO 58 1HD PRO 58 -11.938 -7.796 -7.796 459 H CYS 59 HN CYS 59 -15.244 -5.841 -5.841 460 HA CYS 59 HA CYS 59 -17.337 -4.728 -4.728 461 1HB CYS 59 2HB CYS 59 -19.159 -5.613 -5.613 462 2HB CYS 59 1HB CYS 59 -18.303 -6.886 -6.886 463 HG CYS 59 HG CYS 59 -17.150 -6.648 -6.648 464 H GLY 60 HN GLY 60 -18.894 -3.400 -3.400 465 1HA GLY 60 2HA GLY 60 -18.380 -2.530 -2.530 466 2HA GLY 60 1HA GLY 60 -17.224 -1.639 -1.639 467 H VAL 61 HN VAL 61 -18.406 0.233 0.233 468 HA VAL 61 HA VAL 61 -20.649 0.899 0.899 469 HB VAL 61 HB VAL 61 -20.668 1.715 1.715 470 1HG1 VAL 61 1HG1 VAL 61 -22.767 1.659 1.659 471 2HG1 VAL 61 3HG1 VAL 61 -23.079 2.062 2.062 472 3HG1 VAL 61 2HG1 VAL 61 -22.018 3.084 3.084 473 1HG2 VAL 61 2HG2 VAL 61 -22.000 -0.690 -0.690 474 2HG2 VAL 61 1HG2 VAL 61 -20.738 -0.702 -0.702 475 3HG2 VAL 61 3HG2 VAL 61 -22.338 -0.069 -0.069 476 H LEU 62 HN LEU 62 -20.922 3.141 3.141 477 HA LEU 62 HA LEU 62 -18.620 4.810 4.810 478 1HB LEU 62 2HB LEU 62 -19.786 4.255 4.255 479 2HB LEU 62 1HB LEU 62 -19.306 5.911 5.911 480 HG LEU 62 HG LEU 62 -17.038 4.903 4.903 481 1HD1 LEU 62 2HD1 LEU 62 -18.476 2.543 2.543 482 2HD1 LEU 62 1HD1 LEU 62 -17.011 2.766 2.766 483 3HD1 LEU 62 3HD1 LEU 62 -16.913 2.686 2.686 484 1HD2 LEU 62 1HD2 LEU 62 -17.958 4.882 4.882 485 2HD2 LEU 62 3HD2 LEU 62 -17.314 6.261 6.261 486 3HD2 LEU 62 2HD2 LEU 62 -16.275 4.883 4.883 487 H ASP 63 HN ASP 63 -19.055 7.153 7.153 488 HA ASP 63 HA ASP 63 -21.872 7.727 7.727 489 1HB ASP 63 2HB ASP 63 -21.169 9.331 9.331 490 2HB ASP 63 1HB ASP 63 -20.181 7.904 7.904 491 HA PRO 64 HA PRO 64 -22.287 10.873 10.873 492 1HB PRO 64 2HB PRO 64 -22.488 12.992 12.992 493 2HB PRO 64 1HB PRO 64 -23.613 12.577 12.577 494 1HG PRO 64 2HG PRO 64 -24.158 11.919 11.919 495 2HG PRO 64 1HG PRO 64 -24.536 10.806 10.806 496 1HD PRO 64 2HD PRO 64 -22.272 10.731 10.731 497 2HD PRO 64 1HD PRO 64 -23.241 9.392 9.392 498 H LYS 65 HN LYS 65 -20.523 11.320 11.320 499 HA LYS 65 HA LYS 65 -18.658 12.391 12.391 500 1HB LYS 65 2HB LYS 65 -19.812 14.427 14.427 501 2HB LYS 65 1HB LYS 65 -19.035 14.205 14.205 502 1HG LYS 65 2HG LYS 65 -17.256 15.312 15.312 503 2HG LYS 65 1HG LYS 65 -17.033 14.166 14.166 504 1HD LYS 65 2HD LYS 65 -17.329 16.071 16.071 505 2HD LYS 65 1HD LYS 65 -19.017 15.585 15.585 506 1HE LYS 65 2HE LYS 65 -19.474 17.497 17.497 507 2HE LYS 65 1HE LYS 65 -18.308 17.103 17.103 508 1HZ LYS 65 1HZ LYS 65 -16.654 17.947 17.947 509 2HZ LYS 65 3HZ LYS 65 -18.016 18.840 18.840 510 3HZ LYS 65 2HZ LYS 65 -17.383 19.005 19.005 511 H GLU 66 HN GLU 66 -18.363 10.108 10.108 512 HA GLU 66 HA GLU 66 -15.907 10.753 10.753 513 1HB GLU 66 2HB GLU 66 -17.029 9.714 9.714 514 2HB GLU 66 1HB GLU 66 -18.176 8.979 8.979 515 1HG GLU 66 2HG GLU 66 -16.938 7.065 7.065 516 2HG GLU 66 1HG GLU 66 -15.419 7.867 7.867 517 H LYS 67 HN LYS 67 -14.026 9.712 9.712 518 HA LYS 67 HA LYS 67 -14.090 7.897 7.897 519 1HB LYS 67 2HB LYS 67 -11.739 8.734 8.734 520 2HB LYS 67 1HB LYS 67 -13.025 9.902 9.902 521 1HG LYS 67 2HG LYS 67 -12.379 11.226 11.226 522 2HG LYS 67 1HG LYS 67 -11.797 9.871 9.871 523 1HD LYS 67 2HD LYS 67 -9.742 9.830 9.830 524 2HD LYS 67 1HD LYS 67 -10.357 10.619 10.619 525 1HE LYS 67 2HE LYS 67 -10.782 12.569 12.569 526 2HE LYS 67 1HE LYS 67 -9.380 11.784 11.784 527 1HZ LYS 67 2HZ LYS 67 -9.343 12.456 12.456 528 2HZ LYS 67 1HZ LYS 67 -9.049 13.669 13.669 529 3HZ LYS 67 3HZ LYS 67 -8.051 12.303 12.303 530 H VAL 68 HN VAL 68 -13.720 5.877 5.877 531 HA VAL 68 HA VAL 68 -11.956 5.384 5.384 532 HB VAL 68 HB VAL 68 -12.907 3.147 3.147 533 1HG1 VAL 68 2HG1 VAL 68 -14.934 5.368 5.368 534 2HG1 VAL 68 1HG1 VAL 68 -15.283 3.770 3.770 535 3HG1 VAL 68 3HG1 VAL 68 -14.081 4.802 4.802 536 1HG2 VAL 68 3HG2 VAL 68 -13.896 3.888 3.888 537 2HG2 VAL 68 2HG2 VAL 68 -13.536 2.300 2.300 538 3HG2 VAL 68 1HG2 VAL 68 -15.082 3.074 3.074 539 H LEU 69 HN LEU 69 -10.273 3.876 3.876 540 HA LEU 69 HA LEU 69 -9.165 3.529 3.529 541 1HB LEU 69 2HB LEU 69 -8.066 4.009 4.009 542 2HB LEU 69 1HB LEU 69 -7.303 2.623 2.623 543 HG LEU 69 HG LEU 69 -6.130 4.796 4.796 544 1HD1 LEU 69 3HD1 LEU 69 -6.561 2.683 2.683 545 2HD1 LEU 69 2HD1 LEU 69 -6.827 4.115 4.115 546 3HD1 LEU 69 1HD1 LEU 69 -5.302 3.911 3.911 547 1HD2 LEU 69 2HD2 LEU 69 -8.367 6.032 6.032 548 2HD2 LEU 69 1HD2 LEU 69 -7.035 6.488 6.488 549 3HD2 LEU 69 3HD2 LEU 69 -8.330 5.453 5.453 550 H MET 70 HN MET 70 -9.121 1.622 1.622 551 HA MET 70 HA MET 70 -9.717 -0.783 -0.783 552 1HB MET 70 2HB MET 70 -11.504 -0.334 -0.334 553 2HB MET 70 1HB MET 70 -10.371 -0.127 -0.127 554 1HG MET 70 2HG MET 70 -9.769 -2.483 -2.483 555 2HG MET 70 1HG MET 70 -10.884 -2.697 -2.697 556 1HE MET 70 2HE MET 70 -11.395 -0.475 -0.475 557 2HE MET 70 1HE MET 70 -10.540 -1.883 -1.883 558 3HE MET 70 3HE MET 70 -12.221 -1.599 -1.599 559 H ALA 71 HN ALA 71 -8.808 -2.802 -2.802 560 HA ALA 71 HA ALA 71 -6.248 -2.429 -2.429 561 1HB ALA 71 3HB ALA 71 -5.860 -2.639 -2.639 562 2HB ALA 71 2HB ALA 71 -6.664 -4.208 -4.208 563 3HB ALA 71 1HB ALA 71 -5.159 -3.973 -3.973 564 H VAL 72 HN VAL 72 -5.663 -4.021 -4.021 565 HA VAL 72 HA VAL 72 -7.449 -6.347 -6.347 566 HB VAL 72 HB VAL 72 -6.441 -4.721 -4.721 567 1HG1 VAL 72 3HG1 VAL 72 -6.935 -7.317 -7.317 568 2HG1 VAL 72 2HG1 VAL 72 -8.602 -6.751 -6.751 569 3HG1 VAL 72 1HG1 VAL 72 -7.406 -6.242 -6.242 570 1HG2 VAL 72 3HG2 VAL 72 -8.171 -3.538 -3.538 571 2HG2 VAL 72 2HG2 VAL 72 -8.729 -3.993 -3.993 572 3HG2 VAL 72 1HG2 VAL 72 -9.244 -4.924 -4.924 573 H SER 73 HN SER 73 -6.076 -7.921 -7.921 574 HA SER 73 HA SER 73 -3.304 -7.938 -7.938 575 1HB SER 73 2HB SER 73 -4.694 -9.022 -9.022 576 2HB SER 73 1HB SER 73 -4.412 -10.434 -10.434 577 HG SER 73 HG SER 73 -2.617 -10.298 -10.298 578 H CYS 74 HN CYS 74 -2.280 -9.370 -9.370 579 HA CYS 74 HA CYS 74 -4.044 -10.891 -10.891 580 1HB CYS 74 2HB CYS 74 -2.096 -8.817 -8.817 581 2HB CYS 74 1HB CYS 74 -1.725 -10.310 -10.310 582 HG CYS 74 HG CYS 74 -3.694 -8.399 -8.399 583 H ASP 75 HN ASP 75 -3.374 -12.918 -12.918 584 HA ASP 75 HA ASP 75 -1.243 -14.077 -14.077 585 1HB ASP 75 2HB ASP 75 -3.636 -15.117 -15.117 586 2HB ASP 75 1HB ASP 75 -2.252 -16.201 -16.201 587 H THR 76 HN THR 76 0.544 -15.110 -15.110 588 HA THR 76 HA THR 76 1.696 -14.132 -14.132 589 HB THR 76 HB THR 76 3.489 -15.568 -15.568 590 HG1 THR 76 1HG THR 76 3.053 -17.596 -17.596 591 1HG2 THR 76 3HG2 THR 76 2.741 -14.125 -14.125 592 2HG2 THR 76 2HG2 THR 76 2.371 -15.690 -15.690 593 3HG2 THR 76 1HG2 THR 76 4.013 -15.332 -15.332 594 H PHE 77 HN PHE 77 2.391 -15.366 -15.366 595 HA PHE 77 HA PHE 77 1.132 -17.765 -17.765 596 1HB PHE 77 2HB PHE 77 -0.522 -17.034 -17.034 597 2HB PHE 77 1HB PHE 77 -0.819 -16.138 -16.138 598 HD1 PHE 77 2HD PHE 77 0.578 -13.826 -13.826 599 HD2 PHE 77 1HD PHE 77 -0.701 -15.857 -15.857 600 HE1 PHE 77 2HE PHE 77 0.685 -11.712 -11.712 601 HE2 PHE 77 1HE PHE 77 -0.596 -13.750 -13.750 602 HZ PHE 77 HZ PHE 77 0.098 -11.673 -11.673 603 H ASN 78 HN ASN 78 0.985 -17.285 -17.285 604 HA ASN 78 HA ASN 78 3.752 -16.505 -16.505 605 1HB ASN 78 2HB ASN 78 3.047 -19.073 -19.073 606 2HB ASN 78 1HB ASN 78 2.461 -18.673 -18.673 607 1HD2 ASN 78 2HD2 ASN 78 5.586 -19.134 -19.134 608 2HD2 ASN 78 1HD2 ASN 78 3.869 -19.307 -19.307 609 H ALA 79 HN ALA 79 3.226 -14.524 -14.524 610 HA ALA 79 HA ALA 79 1.072 -14.049 -14.049 611 1HB ALA 79 1HB ALA 79 2.186 -12.276 -12.276 612 2HB ALA 79 3HB ALA 79 3.630 -12.477 -12.477 613 3HB ALA 79 2HB ALA 79 2.130 -11.908 -11.908 614 H ALA 80 HN ALA 80 4.202 -15.409 -15.409 615 HA ALA 80 HA ALA 80 4.657 -14.782 -14.782 616 1HB ALA 80 1HB ALA 80 5.876 -16.378 -16.378 617 2HB ALA 80 3HB ALA 80 5.551 -17.447 -17.447 618 3HB ALA 80 2HB ALA 80 6.495 -15.975 -15.975 619 H THR 81 HN THR 81 2.877 -17.479 -17.479 620 HA THR 81 HA THR 81 1.628 -17.953 -17.953 621 HB THR 81 HB THR 81 1.658 -20.371 -20.371 622 HG1 THR 81 1HG THR 81 2.586 -21.193 -21.193 623 1HG2 THR 81 3HG2 THR 81 3.566 -19.233 -19.233 624 2HG2 THR 81 2HG2 THR 81 4.461 -19.356 -19.356 625 3HG2 THR 81 1HG2 THR 81 3.905 -20.817 -20.817 626 H GLU 82 HN GLU 82 0.217 -16.368 -16.368 627 HA GLU 82 HA GLU 82 -2.053 -17.927 -17.927 628 1HB GLU 82 2HB GLU 82 -0.576 -16.191 -16.191 629 2HB GLU 82 1HB GLU 82 -2.224 -16.755 -16.755 630 1HG GLU 82 2HG GLU 82 0.231 -18.473 -18.473 631 2HG GLU 82 1HG GLU 82 -0.665 -18.149 -18.149 632 H ASP 83 HN ASP 83 -3.943 -16.545 -16.545 633 HA ASP 83 HA ASP 83 -4.150 -14.449 -14.449 634 1HB ASP 83 2HB ASP 83 -6.448 -14.177 -14.177 635 2HB ASP 83 1HB ASP 83 -6.069 -15.855 -15.855 636 H LEU 84 HN LEU 84 -4.625 -12.233 -12.233 637 HA LEU 84 HA LEU 84 -3.984 -11.211 -11.211 638 1HB LEU 84 2HB LEU 84 -2.777 -10.097 -10.097 639 2HB LEU 84 1HB LEU 84 -2.477 -9.549 -9.549 640 HG LEU 84 HG LEU 84 -1.804 -12.356 -12.356 641 1HD1 LEU 84 2HD1 LEU 84 -0.784 -10.388 -10.388 642 2HD1 LEU 84 1HD1 LEU 84 0.303 -10.273 -10.273 643 3HD1 LEU 84 3HD1 LEU 84 0.173 -11.786 -11.786 644 1HD2 LEU 84 2HD2 LEU 84 -1.835 -11.292 -11.292 645 2HD2 LEU 84 1HD2 LEU 84 -0.583 -12.433 -12.433 646 3HD2 LEU 84 3HD2 LEU 84 -0.250 -10.701 -10.701 647 H ASN 85 HN ASN 85 -6.419 -11.462 -11.462 648 HA ASN 85 HA ASN 85 -7.330 -8.717 -8.717 649 1HB ASN 85 2HB ASN 85 -7.118 -10.118 -10.118 650 2HB ASN 85 1HB ASN 85 -8.560 -9.147 -9.147 651 1HD2 ASN 85 2HD2 ASN 85 -4.900 -7.364 -7.364 652 2HD2 ASN 85 1HD2 ASN 85 -5.034 -9.037 -9.037 653 H ASN 86 HN ASN 86 -7.766 -11.338 -11.338 654 HA ASN 86 HA ASN 86 -10.643 -11.674 -11.674 655 1HB ASN 86 2HB ASN 86 -8.491 -13.569 -13.569 656 2HB ASN 86 1HB ASN 86 -10.091 -13.848 -13.848 657 1HD2 ASN 86 2HD2 ASN 86 -9.702 -13.989 -13.989 658 2HD2 ASN 86 1HD2 ASN 86 -8.792 -12.848 -12.848 659 H ASP 87 HN ASP 87 -8.247 -10.949 -10.949 660 HA ASP 87 HA ASP 87 -9.934 -11.236 -11.236 661 1HB ASP 87 2HB ASP 87 -7.437 -11.238 -11.238 662 2HB ASP 87 1HB ASP 87 -7.463 -9.515 -9.515 663 H ARG 88 HN ARG 88 -11.507 -9.949 -9.949 664 HA ARG 88 HA ARG 88 -11.406 -7.089 -7.089 665 1HB ARG 88 2HB ARG 88 -13.618 -8.937 -8.937 666 2HB ARG 88 1HB ARG 88 -13.886 -7.216 -7.216 667 1HG ARG 88 2HG ARG 88 -13.261 -6.929 -6.929 668 2HG ARG 88 1HG ARG 88 -11.623 -7.343 -7.343 669 1HD ARG 88 2HD ARG 88 -11.685 -9.216 -9.216 670 2HD ARG 88 1HD ARG 88 -13.140 -9.741 -9.741 671 HE ARG 88 HE ARG 88 -14.360 -9.150 -9.150 672 1HH1 ARG 88 1HH2 ARG 88 -11.269 -7.553 -7.553 673 2HH1 ARG 88 2HH2 ARG 88 -11.528 -6.917 -6.917 674 1HH2 ARG 88 1HH1 ARG 88 -14.713 -8.314 -8.314 675 2HH2 ARG 88 2HH1 ARG 88 -13.487 -7.349 -7.349 676 H ILE 89 HN ILE 89 -12.108 -5.884 -5.884 677 HA ILE 89 HA ILE 89 -13.177 -7.276 -7.276 678 HB ILE 89 HB ILE 89 -12.185 -4.434 -4.434 679 1HG1 ILE 89 2HG1 ILE 89 -10.842 -6.866 -6.866 680 2HG1 ILE 89 1HG1 ILE 89 -10.422 -6.138 -6.138 681 1HG2 ILE 89 2HG2 ILE 89 -13.121 -6.060 -6.060 682 2HG2 ILE 89 1HG2 ILE 89 -12.075 -4.653 -4.653 683 3HG2 ILE 89 3HG2 ILE 89 -13.674 -4.471 -4.471 684 1HD1 ILE 89 3HD1 ILE 89 -10.332 -4.074 -4.074 685 2HD1 ILE 89 2HD1 ILE 89 -9.515 -5.463 -5.463 686 3HD1 ILE 89 1HD1 ILE 89 -8.987 -4.835 -4.835 687 H THR 90 HN THR 90 -15.235 -7.120 -7.120 688 HA THR 90 HA THR 90 -16.927 -5.103 -5.103 689 HB THR 90 HB THR 90 -17.685 -7.818 -7.818 690 HG1 THR 90 1HG THR 90 -17.257 -6.830 -6.830 691 1HG2 THR 90 1HG2 THR 90 -19.316 -5.555 -5.555 692 2HG2 THR 90 3HG2 THR 90 -19.729 -7.121 -7.121 693 3HG2 THR 90 2HG2 THR 90 -19.725 -6.907 -6.907 694 H ILE 91 HN ILE 91 -17.130 -3.446 -3.446 695 HA ILE 91 HA ILE 91 -17.392 -3.888 -3.888 696 HB ILE 91 HB ILE 91 -17.542 -1.274 -1.274 697 1HG1 ILE 91 2HG1 ILE 91 -15.100 -1.185 -1.185 698 2HG1 ILE 91 1HG1 ILE 91 -15.225 -2.932 -2.932 699 1HG2 ILE 91 1HG2 ILE 91 -17.506 -2.049 -2.049 700 2HG2 ILE 91 3HG2 ILE 91 -16.571 -0.625 -0.625 701 3HG2 ILE 91 2HG2 ILE 91 -18.300 -0.692 -0.692 702 1HD1 ILE 91 1HD1 ILE 91 -16.089 -1.683 -1.683 703 2HD1 ILE 91 3HD1 ILE 91 -14.527 -1.016 -1.016 704 3HD1 ILE 91 2HD1 ILE 91 -14.715 -2.758 -2.758 705 H GLU 92 HN GLU 92 -19.215 -3.284 -3.284 706 HA GLU 92 HA GLU 92 -21.636 -2.525 -2.525 707 1HB GLU 92 2HB GLU 92 -21.825 -4.813 -4.813 708 2HB GLU 92 1HB GLU 92 -22.922 -4.359 -4.359 709 1HG GLU 92 2HG GLU 92 -21.132 -5.038 -5.038 710 2HG GLU 92 1HG GLU 92 -20.240 -5.692 -5.692 711 H TRP 93 HN TRP 93 -23.330 -1.724 -1.724 712 HA TRP 93 HA TRP 93 -22.958 -1.454 -1.454 713 1HB TRP 93 2HB TRP 93 -22.586 0.892 0.892 714 2HB TRP 93 1HB TRP 93 -21.382 0.277 0.277 715 HD1 TRP 93 1HD TRP 93 -23.864 2.966 2.966 716 HE1 TRP 93 1HE TRP 93 -24.269 4.129 4.129 717 HE3 TRP 93 3HE TRP 93 -21.623 -0.441 -0.441 718 HZ2 TRP 93 2HZ TRP 93 -23.714 3.666 3.666 719 HZ3 TRP 93 3HZ TRP 93 -21.605 -0.005 -0.005 720 HH2 TRP 93 2HH TRP 93 -22.630 2.007 2.007 721 H THR 94 HN THR 94 -24.776 -0.619 -0.619 722 HA THR 94 HA THR 94 -27.051 0.245 0.245 723 HB THR 94 HB THR 94 -27.670 -1.975 -1.975 724 HG1 THR 94 1HG THR 94 -28.619 -1.334 -1.334 725 1HG2 THR 94 1HG2 THR 94 -25.933 -2.300 -2.300 726 2HG2 THR 94 3HG2 THR 94 -27.418 -3.245 -3.245 727 3HG2 THR 94 2HG2 THR 94 -26.351 -3.438 -3.438 728 H ASN 95 HN ASN 95 -28.485 1.516 1.516 729 HA ASN 95 HA ASN 95 -27.620 2.919 2.919 730 1HB ASN 95 2HB ASN 95 -29.832 3.006 3.006 731 2HB ASN 95 1HB ASN 95 -30.521 2.784 2.784 732 1HD2 ASN 95 2HD2 ASN 95 -29.858 6.410 6.410 733 2HD2 ASN 95 1HD2 ASN 95 -30.479 5.092 5.092 734 H THR 96 HN THR 96 -27.887 2.762 2.762 735 HA THR 96 HA THR 96 -28.740 0.159 0.159 736 HB THR 96 HB THR 96 -27.542 0.652 0.652 737 HG1 THR 96 1HG THR 96 -28.039 2.617 2.617 738 1HG2 THR 96 3HG2 THR 96 -26.160 0.528 0.528 739 2HG2 THR 96 2HG2 THR 96 -25.840 2.228 2.228 740 3HG2 THR 96 1HG2 THR 96 -25.388 0.992 0.992 741 HA PRO 97 HA PRO 97 -32.726 1.295 1.295 742 1HB PRO 97 2HB PRO 97 -31.800 0.091 0.091 743 2HB PRO 97 1HB PRO 97 -33.280 -0.216 -0.216 744 1HG PRO 97 2HG PRO 97 -31.272 -1.958 -1.958 745 2HG PRO 97 1HG PRO 97 -32.209 -1.602 -1.602 746 1HD PRO 97 2HD PRO 97 -29.464 -0.719 -0.719 747 2HD PRO 97 1HD PRO 97 -30.130 -1.095 -1.095 748 H ASP 98 HN ASP 98 -33.775 2.610 2.610 749 HA ASP 98 HA ASP 98 -32.538 5.012 5.012 750 1HB ASP 98 2HB ASP 98 -34.862 3.645 3.645 751 2HB ASP 98 1HB ASP 98 -34.332 5.253 5.253 752 H GLY 99 HN GLY 99 -30.757 5.382 5.382 753 1HA GLY 99 2HA GLY 99 -29.170 5.270 5.270 754 2HA GLY 99 1HA GLY 99 -30.542 5.089 5.089 755 H ALA 100 HN ALA 100 -29.237 2.939 2.939 756 HA ALA 100 HA ALA 100 -29.628 0.591 0.591 757 1HB ALA 100 3HB ALA 100 -28.795 1.233 1.233 758 2HB ALA 100 2HB ALA 100 -27.443 0.344 0.344 759 3HB ALA 100 1HB ALA 100 -29.049 -0.383 -0.383 760 H ALA 101 HN ALA 101 -28.066 -0.850 -0.850 761 HA ALA 101 HA ALA 101 -26.383 0.324 0.324 762 1HB ALA 101 1HB ALA 101 -26.592 -2.467 -2.467 763 2HB ALA 101 3HB ALA 101 -25.391 -2.033 -2.033 764 3HB ALA 101 2HB ALA 101 -27.110 -1.837 -1.837 765 H LYS 102 HN LYS 102 -24.049 -0.057 -0.057 766 HA LYS 102 HA LYS 102 -22.687 0.759 0.759 767 1HB LYS 102 2HB LYS 102 -21.767 0.589 0.589 768 2HB LYS 102 1HB LYS 102 -20.727 1.087 1.087 769 1HG LYS 102 2HG LYS 102 -21.643 3.134 3.134 770 2HG LYS 102 1HG LYS 102 -23.272 2.540 2.540 771 1HD LYS 102 2HD LYS 102 -23.020 2.705 2.705 772 2HD LYS 102 1HD LYS 102 -21.271 2.481 2.481 773 1HE LYS 102 2HE LYS 102 -21.202 4.767 4.767 774 2HE LYS 102 1HE LYS 102 -22.868 4.955 4.955 775 1HZ LYS 102 3HZ LYS 102 -21.397 4.094 4.094 776 2HZ LYS 102 2HZ LYS 102 -20.484 5.316 5.316 777 3HZ LYS 102 1HZ LYS 102 -22.076 5.623 5.623 778 H GLN 103 HN GLN 103 -23.145 -1.432 -1.432 779 HA GLN 103 HA GLN 103 -20.768 -2.957 -2.957 780 1HB GLN 103 2HB GLN 103 -21.869 -5.103 -5.103 781 2HB GLN 103 1HB GLN 103 -21.323 -3.925 -3.925 782 1HG GLN 103 2HG GLN 103 -23.917 -3.158 -3.158 783 2HG GLN 103 1HG GLN 103 -23.996 -4.917 -4.917 784 1HE2 GLN 103 2HE2 GLN 103 -23.142 -5.400 -5.400 785 2HE2 GLN 103 1HE2 GLN 103 -23.008 -6.087 -6.087 786 H PHE 104 HN PHE 104 -20.663 -3.769 -3.769 787 HA PHE 104 HA PHE 104 -22.656 -3.573 -3.573 788 1HB PHE 104 2HB PHE 104 -20.338 -3.877 -3.877 789 2HB PHE 104 1HB PHE 104 -20.309 -5.478 -5.478 790 HD1 PHE 104 1HD PHE 104 -21.791 -3.488 -3.488 791 HD2 PHE 104 2HD PHE 104 -20.970 -7.371 -7.371 792 HE1 PHE 104 1HE PHE 104 -22.467 -4.475 -4.475 793 HE2 PHE 104 2HE PHE 104 -21.644 -8.366 -8.366 794 HZ PHE 104 HZ PHE 104 -22.393 -6.917 -6.917 795 H ARG 105 HN ARG 105 -24.464 -4.661 -4.661 796 HA ARG 105 HA ARG 105 -24.860 -7.246 -7.246 797 1HB ARG 105 2HB ARG 105 -26.509 -4.913 -4.913 798 2HB ARG 105 1HB ARG 105 -27.318 -6.285 -6.285 799 1HG ARG 105 2HG ARG 105 -27.792 -7.209 -7.209 800 2HG ARG 105 1HG ARG 105 -26.161 -6.938 -6.938 801 1HD ARG 105 2HD ARG 105 -27.240 -4.401 -4.401 802 2HD ARG 105 1HD ARG 105 -28.598 -5.401 -5.401 803 HE ARG 105 HE ARG 105 -26.271 -4.739 -4.739 804 1HH1 ARG 105 1HH2 ARG 105 -28.749 -7.136 -7.136 805 2HH1 ARG 105 2HH2 ARG 105 -28.644 -7.760 -7.760 806 1HH2 ARG 105 1HH1 ARG 105 -26.124 -5.553 -5.553 807 2HH2 ARG 105 2HH1 ARG 105 -27.152 -6.860 -6.860 808 H ARG 106 HN ARG 106 -25.812 -8.978 -8.978 809 HA ARG 106 HA ARG 106 -25.151 -9.035 -9.035 810 1HB ARG 106 2HB ARG 106 -24.549 -10.934 -10.934 811 2HB ARG 106 1HB ARG 106 -26.240 -11.183 -11.183 812 1HG ARG 106 2HG ARG 106 -26.583 -12.404 -12.404 813 2HG ARG 106 1HG ARG 106 -25.866 -11.172 -11.172 814 1HD ARG 106 2HD ARG 106 -24.104 -12.487 -12.487 815 2HD ARG 106 1HD ARG 106 -23.749 -12.376 -12.376 816 HE ARG 106 HE ARG 106 -24.896 -14.608 -14.608 817 1HH1 ARG 106 1HH2 ARG 106 -24.653 -12.984 -12.984 818 2HH1 ARG 106 2HH2 ARG 106 -24.992 -14.408 -14.408 819 1HH2 ARG 106 1HH1 ARG 106 -25.344 -16.490 -16.490 820 2HH2 ARG 106 2HH1 ARG 106 -25.386 -16.402 -16.402 821 H GLU 107 HN GLU 107 -27.960 -8.633 -8.633 822 HA GLU 107 HA GLU 107 -29.871 -9.524 -9.524 823 1HB GLU 107 2HB GLU 107 -31.521 -8.409 -8.409 824 2HB GLU 107 1HB GLU 107 -30.455 -9.499 -9.499 825 1HG GLU 107 2HG GLU 107 -29.138 -7.614 -7.614 826 2HG GLU 107 1HG GLU 107 -30.163 -6.506 -6.506 827 H TRP 108 HN TRP 108 -27.911 -6.783 -6.783 828 HA TRP 108 HA TRP 108 -29.711 -4.843 -4.843 829 1HB TRP 108 2HB TRP 108 -26.701 -5.047 -5.047 830 2HB TRP 108 1HB TRP 108 -27.555 -3.680 -3.680 831 HD1 TRP 108 1HD TRP 108 -29.679 -4.336 -4.336 832 HE1 TRP 108 1HE TRP 108 -29.043 -2.995 -2.995 833 HE3 TRP 108 3HE TRP 108 -24.936 -2.956 -2.956 834 HZ2 TRP 108 2HZ TRP 108 -26.825 -1.544 -1.544 835 HZ3 TRP 108 3HZ TRP 108 -23.626 -1.590 -1.590 836 HH2 TRP 108 2HH TRP 108 -24.552 -0.900 -0.900 837 H PHE 109 HN PHE 109 -27.795 -7.366 -7.366 838 HA PHE 109 HA PHE 109 -28.537 -6.409 -6.409 839 1HB PHE 109 2HB PHE 109 -26.427 -8.391 -8.391 840 2HB PHE 109 1HB PHE 109 -26.819 -8.041 -8.041 841 HD1 PHE 109 1HD PHE 109 -25.859 -6.266 -6.266 842 HD2 PHE 109 2HD PHE 109 -25.571 -6.463 -6.463 843 HE1 PHE 109 1HE PHE 109 -24.265 -4.392 -4.392 844 HE2 PHE 109 2HE PHE 109 -23.976 -4.589 -4.589 845 HZ PHE 109 HZ PHE 109 -23.321 -3.551 -3.551 846 H GLN 110 HN GLN 110 -30.485 -7.634 -7.634 847 HA GLN 110 HA GLN 110 -30.923 -10.163 -10.163 848 1HB GLN 110 2HB GLN 110 -32.059 -11.061 -11.061 849 2HB GLN 110 1HB GLN 110 -30.527 -10.410 -10.410 850 1HG GLN 110 2HG GLN 110 -31.651 -9.278 -9.278 851 2HG GLN 110 1HG GLN 110 -32.347 -8.310 -8.310 852 1HE2 GLN 110 2HE2 GLN 110 -35.225 -9.496 -9.496 853 2HE2 GLN 110 1HE2 GLN 110 -33.945 -8.345 -8.345 854 H GLY 111 HN GLY 111 -31.698 -7.361 -7.361 855 1HA GLY 111 2HA GLY 111 -34.432 -7.947 -7.947 856 2HA GLY 111 1HA GLY 111 -34.276 -6.640 -6.640 857 H ASP 112 HN ASP 112 -35.283 -6.582 -6.582 858 HA ASP 112 HA ASP 112 -33.289 -5.200 -5.200 859 1HB ASP 112 2HB ASP 112 -35.612 -6.585 -6.585 860 2HB ASP 112 1HB ASP 112 -36.048 -4.906 -4.906 861 H GLY 113 HN GLY 113 -33.551 -3.022 -3.022 862 1HA GLY 113 2HA GLY 113 -35.008 -0.977 -0.977 863 2HA GLY 113 1HA GLY 113 -34.841 -1.292 -1.292 864 H MET 114 HN MET 114 -32.722 -1.091 -1.091 865 HA MET 114 HA MET 114 -30.994 0.753 0.753 866 1HB MET 114 2HB MET 114 -31.110 0.589 0.589 867 2HB MET 114 1HB MET 114 -30.442 1.873 1.873 868 1HG MET 114 2HG MET 114 -32.386 2.863 2.863 869 2HG MET 114 1HG MET 114 -32.942 2.020 2.020 870 1HE MET 114 2HE MET 114 -34.920 3.065 3.065 871 2HE MET 114 1HE MET 114 -35.788 1.677 1.677 872 3HE MET 114 3HE MET 114 -35.862 2.028 2.028 873 H VAL 115 HN VAL 115 -29.388 -0.435 -0.435 874 HA VAL 115 HA VAL 115 -27.291 -1.365 -1.365 875 HB VAL 115 HB VAL 115 -28.782 -3.146 -3.146 876 1HG1 VAL 115 2HG1 VAL 115 -30.011 -3.051 -3.051 877 2HG1 VAL 115 1HG1 VAL 115 -28.906 -4.377 -4.377 878 3HG1 VAL 115 3HG1 VAL 115 -30.027 -4.503 -4.503 879 1HG2 VAL 115 1HG2 VAL 115 -26.242 -3.477 -3.477 880 2HG2 VAL 115 3HG2 VAL 115 -27.031 -4.510 -4.510 881 3HG2 VAL 115 2HG2 VAL 115 -27.186 -4.870 -4.870 882 H ARG 116 HN ARG 116 -26.082 -0.396 -0.396 883 HA ARG 116 HA ARG 116 -26.238 -1.583 -1.583 884 1HB ARG 116 2HB ARG 116 -25.643 1.125 1.125 885 2HB ARG 116 1HB ARG 116 -24.618 0.576 0.576 886 1HG ARG 116 2HG ARG 116 -26.797 -0.033 -0.033 887 2HG ARG 116 1HG ARG 116 -27.587 0.968 0.968 888 1HD ARG 116 2HD ARG 116 -26.037 2.824 2.824 889 2HD ARG 116 1HD ARG 116 -25.480 1.813 1.813 890 HE ARG 116 HE ARG 116 -28.274 1.995 1.995 891 1HH1 ARG 116 1HH2 ARG 116 -25.451 3.992 3.992 892 2HH1 ARG 116 2HH2 ARG 116 -26.210 5.053 5.053 893 1HH2 ARG 116 1HH1 ARG 116 -29.284 3.387 3.387 894 2HH2 ARG 116 2HH1 ARG 116 -28.389 4.709 4.709 895 H ARG 117 HN ARG 117 -24.272 -2.027 -2.027 896 HA ARG 117 HA ARG 117 -21.842 -2.248 -2.248 897 1HB ARG 117 2HB ARG 117 -21.535 -4.622 -4.622 898 2HB ARG 117 1HB ARG 117 -22.899 -4.376 -4.376 899 1HG ARG 117 2HG ARG 117 -23.561 -4.258 -4.258 900 2HG ARG 117 1HG ARG 117 -22.981 -5.825 -5.825 901 1HD ARG 117 2HD ARG 117 -24.904 -4.605 -4.605 902 2HD ARG 117 1HD ARG 117 -25.563 -4.868 -4.868 903 HE ARG 117 HE ARG 117 -24.324 -7.222 -7.222 904 1HH1 ARG 117 1HH2 ARG 117 -26.817 -5.257 -5.257 905 2HH1 ARG 117 2HH2 ARG 117 -27.634 -6.598 -6.598 906 1HH2 ARG 117 1HH1 ARG 117 -25.392 -8.994 -8.994 907 2HH2 ARG 117 2HH1 ARG 117 -26.823 -8.723 -8.723 908 H LYS 118 HN LYS 118 -20.056 -1.856 -1.856 909 HA LYS 118 HA LYS 118 -20.325 -1.779 -1.779 910 1HB LYS 118 2HB LYS 118 -19.471 0.222 0.222 911 2HB LYS 118 1HB LYS 118 -18.115 -0.202 -0.202 912 1HG LYS 118 2HG LYS 118 -20.102 0.039 0.039 913 2HG LYS 118 1HG LYS 118 -20.589 1.236 1.236 914 1HD LYS 118 2HD LYS 118 -17.829 1.076 1.076 915 2HD LYS 118 1HD LYS 118 -19.110 2.126 2.126 916 1HE LYS 118 2HE LYS 118 -18.772 2.408 2.408 917 2HE LYS 118 1HE LYS 118 -17.264 2.715 2.715 918 1HZ LYS 118 3HZ LYS 118 -19.432 3.971 3.971 919 2HZ LYS 118 2HZ LYS 118 -19.394 4.445 4.445 920 3HZ LYS 118 1HZ LYS 118 -18.031 4.666 4.666 921 H ASN 119 HN ASN 119 -18.497 -2.395 -2.395 922 HA ASN 119 HA ASN 119 -16.760 -4.311 -4.311 923 1HB ASN 119 2HB ASN 119 -17.165 -4.103 -4.103 924 2HB ASN 119 1HB ASN 119 -16.506 -5.458 -5.458 925 1HD2 ASN 119 2HD2 ASN 119 -19.933 -5.981 -5.981 926 2HD2 ASN 119 1HD2 ASN 119 -18.443 -5.416 -5.416 927 H LEU 120 HN LEU 120 -14.518 -4.451 -4.451 928 HA LEU 120 HA LEU 120 -13.417 -1.998 -1.998 929 1HB LEU 120 2HB LEU 120 -13.061 -3.017 -3.017 930 2HB LEU 120 1HB LEU 120 -11.554 -2.656 -2.656 931 HG LEU 120 HG LEU 120 -12.451 -0.359 -0.359 932 1HD1 LEU 120 1HD1 LEU 120 -14.768 -1.529 -1.529 933 2HD1 LEU 120 3HD1 LEU 120 -14.311 0.091 0.091 934 3HD1 LEU 120 2HD1 LEU 120 -14.684 -0.210 -0.210 935 1HD2 LEU 120 1HD2 LEU 120 -11.063 -1.236 -1.236 936 2HD2 LEU 120 3HD2 LEU 120 -11.594 0.441 0.441 937 3HD2 LEU 120 2HD2 LEU 120 -12.504 -0.694 -0.694 938 HA PRO 121 HA PRO 121 -11.045 -5.114 -5.114 939 1HB PRO 121 2HB PRO 121 -9.711 -3.495 -3.495 940 2HB PRO 121 1HB PRO 121 -11.449 -3.769 -3.769 941 1HG PRO 121 2HG PRO 121 -10.012 -1.446 -1.446 942 2HG PRO 121 1HG PRO 121 -11.440 -1.456 -1.456 943 1HD PRO 121 2HD PRO 121 -11.521 -1.203 -1.203 944 2HD PRO 121 1HD PRO 121 -12.864 -1.800 -1.800 945 H ILE 122 HN ILE 122 -9.259 -6.113 -6.113 946 HA ILE 122 HA ILE 122 -7.206 -4.550 -4.550 947 HB ILE 122 HB ILE 122 -7.446 -7.553 -7.553 948 1HG1 ILE 122 2HG1 ILE 122 -9.499 -6.409 -6.409 949 2HG1 ILE 122 1HG1 ILE 122 -8.674 -7.478 -7.478 950 1HG2 ILE 122 3HG2 ILE 122 -5.263 -6.616 -6.616 951 2HG2 ILE 122 2HG2 ILE 122 -6.054 -5.719 -5.719 952 3HG2 ILE 122 1HG2 ILE 122 -6.047 -7.481 -7.481 953 1HD1 ILE 122 1HD1 ILE 122 -7.597 -4.864 -4.864 954 2HD1 ILE 122 3HD1 ILE 122 -9.358 -4.764 -4.764 955 3HD1 ILE 122 2HD1 ILE 122 -8.503 -5.824 -5.824 956 H GLU 123 HN GLU 123 -5.117 -4.473 -4.473 957 HA GLU 123 HA GLU 123 -4.402 -5.871 -5.871 958 1HB GLU 123 2HB GLU 123 -4.524 -3.115 -3.115 959 2HB GLU 123 1HB GLU 123 -2.811 -3.501 -3.501 960 1HG GLU 123 2HG GLU 123 -2.650 -3.881 -3.881 961 2HG GLU 123 1HG GLU 123 -4.174 -4.764 -4.764 962 H TYR 124 HN TYR 124 -2.094 -6.325 -6.325 963 HA TYR 124 HA TYR 124 -0.779 -6.709 -6.709 964 1HB TYR 124 2HB TYR 124 -0.820 -8.590 -8.590 965 2HB TYR 124 1HB TYR 124 0.200 -8.803 -8.803 966 HD1 TYR 124 1HD TYR 124 -3.369 -8.464 -8.464 967 HD2 TYR 124 2HD TYR 124 -0.604 -9.981 -9.981 968 HE1 TYR 124 1HE TYR 124 -5.198 -9.660 -9.660 969 HE2 TYR 124 2HE TYR 124 -2.426 -11.184 -11.184 970 HH TYR 124 HH TYR 124 -5.198 -10.689 -10.689 971 H ASN 125 HN ASN 125 1.024 -5.586 -5.586 972 HA ASN 125 HA ASN 125 2.609 -5.063 -5.063 973 1HB ASN 125 2HB ASN 125 1.704 -3.000 -3.000 974 2HB ASN 125 1HB ASN 125 2.388 -3.398 -3.398 975 1HD2 ASN 125 2HD2 ASN 125 5.085 -1.386 -1.386 976 2HD2 ASN 125 1HD2 ASN 125 3.728 -1.657 -1.657 977 H LEU 126 HN LEU 126 4.793 -5.454 -5.454 978 HA LEU 126 HA LEU 126 5.735 -7.078 -7.078 979 1HB LEU 126 2HB LEU 126 7.014 -6.647 -6.647 980 2HB LEU 126 1HB LEU 126 7.492 -7.828 -7.828 981 HG LEU 126 HG LEU 126 4.974 -7.819 -7.819 982 1HD1 LEU 126 3HD1 LEU 126 7.413 -9.557 -9.557 983 2HD1 LEU 126 2HD1 LEU 126 5.898 -10.138 -10.138 984 3HD1 LEU 126 1HD1 LEU 126 6.716 -8.745 -8.745 985 1HD2 LEU 126 1HD2 LEU 126 5.649 -9.277 -9.277 986 2HD2 LEU 126 3HD2 LEU 126 4.111 -8.593 -8.593 987 3HD2 LEU 126 2HD2 LEU 126 4.702 -10.093 -10.093 988 1H ALA 1 2HN ALA 1 42.091 -5.642 -5.642 989 2H ALA 1 1HN ALA 1 41.877 -6.892 -6.892 990 3H ALA 1 3HN ALA 1 43.263 -5.888 -5.888 991 HA ALA 1 HA ALA 1 44.127 -6.761 -6.761 992 1HB ALA 1 1HB ALA 1 43.627 -8.295 -8.295 993 2HB ALA 1 3HB ALA 1 43.397 -9.369 -9.369 994 3HB ALA 1 2HB ALA 1 44.920 -8.502 -8.502 995 H GLN 2 HN GLN 2 41.119 -8.561 -8.561 996 HA GLN 2 HA GLN 2 40.892 -9.240 -9.240 997 1HB GLN 2 2HB GLN 2 39.510 -10.127 -10.127 998 2HB GLN 2 1HB GLN 2 38.756 -10.420 -10.420 999 1HG GLN 2 2HG GLN 2 40.104 -12.127 -12.127 1000 2HG GLN 2 1HG GLN 2 41.539 -11.209 -11.209 1001 1HE2 GLN 2 2HE2 GLN 2 40.596 -14.187 -14.187 1002 2HE2 GLN 2 1HE2 GLN 2 40.360 -14.001 -14.001 1003 H SER 3 HN SER 3 39.395 -8.448 -8.448 1004 HA SER 3 HA SER 3 37.469 -6.487 -6.487 1005 1HB SER 3 2HB SER 3 39.232 -5.242 -5.242 1006 2HB SER 3 1HB SER 3 39.135 -6.275 -6.275 1007 HG SER 3 HG SER 3 37.859 -4.696 -4.696 1008 H VAL 4 HN VAL 4 35.414 -6.713 -6.713 1009 HA VAL 4 HA VAL 4 34.876 -8.573 -8.573 1010 HB VAL 4 HB VAL 4 32.726 -9.122 -9.122 1011 1HG1 VAL 4 1HG1 VAL 4 35.407 -9.989 -9.989 1012 2HG1 VAL 4 3HG1 VAL 4 33.881 -10.787 -10.787 1013 3HG1 VAL 4 2HG1 VAL 4 34.466 -10.753 -10.753 1014 1HG2 VAL 4 3HG2 VAL 4 33.658 -7.153 -7.153 1015 2HG2 VAL 4 2HG2 VAL 4 32.321 -8.265 -8.265 1016 3HG2 VAL 4 1HG2 VAL 4 33.942 -8.664 -8.664 1017 HA PRO 5 HA PRO 5 32.521 -5.234 -5.234 1018 1HB PRO 5 2HB PRO 5 30.981 -6.623 -6.623 1019 2HB PRO 5 1HB PRO 5 32.704 -6.336 -6.336 1020 1HG PRO 5 2HG PRO 5 31.336 -8.773 -8.773 1021 2HG PRO 5 1HG PRO 5 32.650 -8.661 -8.661 1022 1HD PRO 5 2HD PRO 5 33.085 -9.266 -9.266 1023 2HD PRO 5 1HD PRO 5 34.260 -8.367 -8.367 1024 HA PRO 6 HA PRO 6 28.666 -5.049 -5.049 1025 1HB PRO 6 2HB PRO 6 27.235 -3.371 -3.371 1026 2HB PRO 6 1HB PRO 6 28.590 -2.822 -2.822 1027 1HG PRO 6 2HG PRO 6 28.521 -3.460 -3.460 1028 2HG PRO 6 1HG PRO 6 29.296 -2.098 -2.098 1029 1HD PRO 6 2HD PRO 6 30.670 -4.286 -4.286 1030 2HD PRO 6 1HD PRO 6 31.126 -3.354 -3.354 1031 H GLY 7 HN GLY 7 27.364 -6.775 -6.775 1032 1HA GLY 7 2HA GLY 7 26.555 -8.371 -8.371 1033 2HA GLY 7 1HA GLY 7 25.723 -8.274 -8.274 1034 H ASP 8 HN ASP 8 25.403 -7.838 -7.838 1035 HA ASP 8 HA ASP 8 23.841 -5.588 -5.588 1036 1HB ASP 8 2HB ASP 8 24.667 -7.190 -7.190 1037 2HB ASP 8 1HB ASP 8 23.304 -8.226 -8.226 1038 H ILE 9 HN ILE 9 21.638 -5.146 -5.146 1039 HA ILE 9 HA ILE 9 20.098 -6.975 -6.975 1040 HB ILE 9 HB ILE 9 18.776 -5.052 -5.052 1041 1HG1 ILE 9 2HG1 ILE 9 20.611 -3.066 -3.066 1042 2HG1 ILE 9 1HG1 ILE 9 19.546 -3.879 -3.879 1043 1HG2 ILE 9 2HG2 ILE 9 21.623 -5.340 -5.340 1044 2HG2 ILE 9 1HG2 ILE 9 21.064 -3.691 -3.691 1045 3HG2 ILE 9 3HG2 ILE 9 20.314 -5.035 -5.035 1046 1HD1 ILE 9 2HD1 ILE 9 17.985 -3.117 -3.117 1047 2HD1 ILE 9 1HD1 ILE 9 18.969 -1.730 -1.730 1048 3HD1 ILE 9 3HD1 ILE 9 17.916 -2.508 -2.508 1049 H ASN 10 HN ASN 10 17.964 -7.459 -7.459 1050 HA ASN 10 HA ASN 10 17.264 -7.081 -7.081 1051 1HB ASN 10 2HB ASN 10 16.784 -9.154 -9.154 1052 2HB ASN 10 1HB ASN 10 15.333 -8.729 -8.729 1053 1HD2 ASN 10 2HD2 ASN 10 18.301 -10.860 -10.860 1054 2HD2 ASN 10 1HD2 ASN 10 18.389 -10.269 -10.269 1055 H THR 11 HN THR 11 15.400 -6.084 -6.084 1056 HA THR 11 HA THR 11 13.729 -4.852 -4.852 1057 HB THR 11 HB THR 11 13.514 -2.988 -2.988 1058 HG1 THR 11 1HG THR 11 15.286 -2.783 -2.783 1059 1HG2 THR 11 3HG2 THR 11 14.441 -2.799 -2.799 1060 2HG2 THR 11 2HG2 THR 11 16.025 -2.943 -2.943 1061 3HG2 THR 11 1HG2 THR 11 14.954 -1.611 -1.611 1062 H GLN 12 HN GLN 12 11.553 -4.638 -4.638 1063 HA GLN 12 HA GLN 12 10.557 -5.768 -5.768 1064 1HB GLN 12 2HB GLN 12 9.642 -6.530 -6.530 1065 2HB GLN 12 1HB GLN 12 8.810 -6.987 -6.987 1066 1HG GLN 12 2HG GLN 12 10.373 -8.532 -8.532 1067 2HG GLN 12 1HG GLN 12 11.687 -7.653 -7.653 1068 1HE2 GLN 12 2HE2 GLN 12 10.561 -10.817 -10.817 1069 2HE2 GLN 12 1HE2 GLN 12 10.724 -10.494 -10.494 1070 HA PRO 13 HA PRO 13 9.076 -5.366 -5.366 1071 1HB PRO 13 2HB PRO 13 9.049 -2.694 -2.694 1072 2HB PRO 13 1HB PRO 13 8.072 -4.118 -4.118 1073 1HG PRO 13 2HG PRO 13 7.011 -1.987 -1.987 1074 2HG PRO 13 1HG PRO 13 6.509 -3.636 -3.636 1075 1HD PRO 13 2HD PRO 13 8.381 -1.799 -1.799 1076 2HD PRO 13 1HD PRO 13 7.120 -2.868 -2.868 1077 H SER 14 HN SER 14 10.784 -5.523 -5.523 1078 HA SER 14 HA SER 14 13.320 -4.826 -4.826 1079 1HB SER 14 2HB SER 14 12.610 -6.781 -6.781 1080 2HB SER 14 1HB SER 14 12.910 -5.619 -5.619 1081 HG SER 14 HG SER 14 14.694 -7.097 -7.097 1082 H GLN 15 HN GLN 15 11.252 -3.349 -3.349 1083 HA GLN 15 HA GLN 15 12.484 -0.848 -0.848 1084 1HB GLN 15 2HB GLN 15 14.155 -2.467 -2.467 1085 2HB GLN 15 1HB GLN 15 13.158 -1.904 -1.904 1086 1HG GLN 15 2HG GLN 15 13.947 0.212 0.212 1087 2HG GLN 15 1HG GLN 15 14.173 0.151 0.151 1088 1HE2 GLN 15 2HE2 GLN 15 17.511 0.303 0.303 1089 2HE2 GLN 15 1HE2 GLN 15 16.115 1.313 1.313 1090 H LYS 16 HN LYS 16 9.895 -1.480 -1.480 1091 HA LYS 16 HA LYS 16 8.769 0.138 0.138 1092 1HB LYS 16 2HB LYS 16 7.254 -1.896 -1.896 1093 2HB LYS 16 1HB LYS 16 8.741 -1.433 -1.433 1094 1HG LYS 16 2HG LYS 16 9.954 -3.192 -3.192 1095 2HG LYS 16 1HG LYS 16 8.572 -3.581 -3.581 1096 1HD LYS 16 2HD LYS 16 8.414 -5.195 -5.195 1097 2HD LYS 16 1HD LYS 16 7.338 -3.942 -3.942 1098 1HE LYS 16 2HE LYS 16 9.458 -3.074 -3.074 1099 2HE LYS 16 1HE LYS 16 10.090 -4.690 -4.690 1100 1HZ LYS 16 2HZ LYS 16 7.435 -4.696 -4.696 1101 2HZ LYS 16 1HZ LYS 16 8.569 -3.972 -3.972 1102 3HZ LYS 16 3HZ LYS 16 8.807 -5.558 -5.558 1103 H ILE 17 HN ILE 17 7.430 1.173 1.173 1104 HA ILE 17 HA ILE 17 5.472 -0.415 -0.415 1105 HB ILE 17 HB ILE 17 7.149 0.447 0.447 1106 1HG1 ILE 17 2HG1 ILE 17 4.520 1.932 1.932 1107 2HG1 ILE 17 1HG1 ILE 17 4.772 0.255 0.255 1108 1HG2 ILE 17 1HG2 ILE 17 7.454 2.537 2.537 1109 2HG2 ILE 17 3HG2 ILE 17 6.321 3.254 3.254 1110 3HG2 ILE 17 2HG2 ILE 17 7.857 2.604 2.604 1111 1HD1 ILE 17 3HD1 ILE 17 6.332 2.521 2.521 1112 2HD1 ILE 17 2HD1 ILE 17 4.788 1.971 1.971 1113 3HD1 ILE 17 1HD1 ILE 17 6.164 0.870 0.870 1114 H VAL 18 HN VAL 18 3.449 0.671 0.671 1115 HA VAL 18 HA VAL 18 2.957 3.027 3.027 1116 HB VAL 18 HB VAL 18 1.216 0.557 0.557 1117 1HG1 VAL 18 1HG1 VAL 18 -0.065 2.660 2.660 1118 2HG1 VAL 18 3HG1 VAL 18 0.878 3.113 3.113 1119 3HG1 VAL 18 2HG1 VAL 18 -0.174 1.698 1.698 1120 1HG2 VAL 18 1HG2 VAL 18 3.504 0.922 0.922 1121 2HG2 VAL 18 3HG2 VAL 18 2.161 -0.109 -0.109 1122 3HG2 VAL 18 2HG2 VAL 18 2.284 1.537 1.537 1123 H PHE 19 HN PHE 19 2.667 4.420 4.420 1124 HA PHE 19 HA PHE 19 1.188 3.852 3.852 1125 1HB PHE 19 2HB PHE 19 1.890 6.476 6.476 1126 2HB PHE 19 1HB PHE 19 1.103 6.362 6.362 1127 HD1 PHE 19 2HD PHE 19 2.589 4.012 4.012 1128 HD2 PHE 19 1HD PHE 19 3.935 7.451 7.451 1129 HE1 PHE 19 2HE PHE 19 4.787 3.815 3.815 1130 HE2 PHE 19 1HE PHE 19 6.136 7.259 7.259 1131 HZ PHE 19 HZ PHE 19 6.565 5.440 5.440 1132 H ASN 20 HN ASN 20 -0.832 3.065 3.065 1133 HA ASN 20 HA ASN 20 -2.624 3.985 3.985 1134 1HB ASN 20 2HB ASN 20 -3.393 2.508 2.508 1135 2HB ASN 20 1HB ASN 20 -4.220 2.501 2.501 1136 1HD2 ASN 20 2HD2 ASN 20 -1.595 -0.315 -0.315 1137 2HD2 ASN 20 1HD2 ASN 20 -2.403 0.678 0.678 1138 H ALA 21 HN ALA 21 -4.563 5.122 5.122 1139 HA ALA 21 HA ALA 21 -4.519 7.533 7.533 1140 1HB ALA 21 1HB ALA 21 -6.339 6.086 6.086 1141 2HB ALA 21 3HB ALA 21 -7.236 6.669 6.669 1142 3HB ALA 21 2HB ALA 21 -6.358 7.808 7.808 1143 HA PRO 22 HA PRO 22 -6.663 8.693 8.693 1144 1HB PRO 22 2HB PRO 22 -7.517 10.290 10.290 1145 2HB PRO 22 1HB PRO 22 -8.444 8.854 8.854 1146 1HG PRO 22 2HG PRO 22 -6.641 9.285 9.285 1147 2HG PRO 22 1HG PRO 22 -8.183 8.417 8.417 1148 1HD PRO 22 2HD PRO 22 -5.653 7.246 7.246 1149 2HD PRO 22 1HD PRO 22 -7.165 6.474 6.474 1150 H TYR 23 HN TYR 23 -6.074 10.982 10.982 1151 HA TYR 23 HA TYR 23 -3.381 11.413 11.413 1152 1HB TYR 23 2HB TYR 23 -4.648 12.578 12.578 1153 2HB TYR 23 1HB TYR 23 -3.042 12.981 12.981 1154 HD1 TYR 23 2HD TYR 23 -2.690 9.907 9.907 1155 HD2 TYR 23 1HD TYR 23 -3.602 11.914 11.914 1156 HE1 TYR 23 2HE TYR 23 -1.753 8.026 8.026 1157 HE2 TYR 23 1HE TYR 23 -2.665 10.031 10.031 1158 HH TYR 23 HH TYR 23 -0.756 7.645 7.645 1159 H ASP 24 HN ASP 24 -6.159 12.050 12.050 1160 HA ASP 24 HA ASP 24 -5.845 14.950 14.950 1161 1HB ASP 24 2HB ASP 24 -8.102 13.457 13.457 1162 2HB ASP 24 1HB ASP 24 -8.221 13.735 13.735 1163 H ASP 25 HN ASP 25 -4.760 12.263 12.263 1164 HA ASP 25 HA ASP 25 -4.595 13.616 13.616 1165 1HB ASP 25 2HB ASP 25 -6.249 11.297 11.297 1166 2HB ASP 25 1HB ASP 25 -4.975 10.912 10.912 1167 H LYS 26 HN LYS 26 -3.287 11.761 11.761 1168 HA LYS 26 HA LYS 26 -0.811 11.437 11.437 1169 1HB LYS 26 2HB LYS 26 -0.905 10.970 10.970 1170 2HB LYS 26 1HB LYS 26 0.373 11.665 11.665 1171 1HG LYS 26 2HG LYS 26 -1.327 13.625 13.625 1172 2HG LYS 26 1HG LYS 26 -2.037 12.965 12.965 1173 1HD LYS 26 2HD LYS 26 -0.114 13.380 13.380 1174 2HD LYS 26 1HD LYS 26 0.904 13.518 13.518 1175 1HE LYS 26 2HE LYS 26 0.681 15.724 15.724 1176 2HE LYS 26 1HE LYS 26 -0.620 15.555 15.555 1177 1HZ LYS 26 2HZ LYS 26 -1.752 14.845 14.845 1178 2HZ LYS 26 1HZ LYS 26 -0.770 16.161 16.161 1179 3HZ LYS 26 3HZ LYS 26 -1.952 16.322 16.322 1180 H HIS 27 HN HIS 27 -0.724 9.525 9.525 1181 HA HIS 27 HA HIS 27 -1.705 7.138 7.138 1182 1HB HIS 27 2HB HIS 27 -1.877 7.943 7.943 1183 2HB HIS 27 1HB HIS 27 -0.571 6.762 6.762 1184 HD1 HIS 27 1HD HIS 27 -1.800 4.823 4.823 1185 HD2 HIS 27 2HD HIS 27 -3.803 6.389 6.389 1186 HE1 HIS 27 1HE HIS 27 -3.720 3.248 3.248 1187 H THR 28 HN THR 28 -0.342 5.875 5.875 1188 HA THR 28 HA THR 28 2.530 6.106 6.106 1189 HB THR 28 HB THR 28 1.263 4.959 4.959 1190 HG1 THR 28 1HG THR 28 0.795 6.937 6.937 1191 1HG2 THR 28 1HG2 THR 28 3.769 4.594 4.594 1192 2HG2 THR 28 3HG2 THR 28 3.938 6.244 6.244 1193 3HG2 THR 28 2HG2 THR 28 3.314 4.982 4.982 1194 H TYR 29 HN TYR 29 3.174 4.568 4.568 1195 HA TYR 29 HA TYR 29 2.037 1.878 1.878 1196 1HB TYR 29 2HB TYR 29 3.691 3.244 3.244 1197 2HB TYR 29 1HB TYR 29 3.361 1.514 1.514 1198 HD1 TYR 29 1HD TYR 29 1.771 4.857 4.857 1199 HD2 TYR 29 2HD TYR 29 1.285 0.680 0.680 1200 HE1 TYR 29 1HE TYR 29 -0.369 5.289 5.289 1201 HE2 TYR 29 2HE TYR 29 -0.856 1.102 1.102 1202 HH TYR 29 HH TYR 29 -2.623 3.620 3.620 1203 H HIS 30 HN HIS 30 3.126 0.277 0.277 1204 HA HIS 30 HA HIS 30 5.790 0.805 0.805 1205 1HB HIS 30 2HB HIS 30 3.805 -1.410 -1.410 1206 2HB HIS 30 1HB HIS 30 5.445 -1.481 -1.481 1207 HD1 HIS 30 1HD HIS 30 2.691 1.181 1.181 1208 HD2 HIS 30 2HD HIS 30 5.471 -0.676 -0.676 1209 HE1 HIS 30 1HE HIS 30 2.403 2.208 2.208 1210 H ILE 31 HN ILE 31 7.638 -0.265 -0.265 1211 HA ILE 31 HA ILE 31 7.521 -2.055 -2.055 1212 HB ILE 31 HB ILE 31 9.851 -0.336 -0.336 1213 1HG1 ILE 31 2HG1 ILE 31 7.757 0.101 0.101 1214 2HG1 ILE 31 1HG1 ILE 31 8.079 1.121 1.121 1215 1HG2 ILE 31 1HG2 ILE 31 10.496 -2.341 -2.341 1216 2HG2 ILE 31 3HG2 ILE 31 9.368 -1.928 -1.928 1217 3HG2 ILE 31 2HG2 ILE 31 10.764 -0.898 -0.898 1218 1HD1 ILE 31 2HD1 ILE 31 10.274 1.676 1.676 1219 2HD1 ILE 31 1HD1 ILE 31 9.920 0.677 0.677 1220 3HD1 ILE 31 3HD1 ILE 31 8.960 2.121 2.121 1221 H LYS 32 HN LYS 32 9.046 -3.806 -3.806 1222 HA LYS 32 HA LYS 32 9.704 -4.776 -4.776 1223 1HB LYS 32 2HB LYS 32 8.931 -6.083 -6.083 1224 2HB LYS 32 1HB LYS 32 10.065 -6.954 -6.954 1225 1HG LYS 32 2HG LYS 32 8.436 -6.669 -6.669 1226 2HG LYS 32 1HG LYS 32 7.286 -6.044 -6.044 1227 1HD LYS 32 2HD LYS 32 8.278 -8.418 -8.418 1228 2HD LYS 32 1HD LYS 32 7.988 -8.771 -8.771 1229 1HE LYS 32 2HE LYS 32 5.913 -7.309 -7.309 1230 2HE LYS 32 1HE LYS 32 6.075 -9.054 -9.054 1231 1HZ LYS 32 3HZ LYS 32 5.981 -9.062 -9.062 1232 2HZ LYS 32 2HZ LYS 32 5.293 -7.527 -7.527 1233 3HZ LYS 32 1HZ LYS 32 4.543 -8.871 -8.871 1234 H ILE 33 HN ILE 33 11.731 -4.690 -4.690 1235 HA ILE 33 HA ILE 33 13.879 -4.785 -4.785 1236 HB ILE 33 HB ILE 33 13.943 -3.396 -3.396 1237 1HG1 ILE 33 2HG1 ILE 33 13.961 -2.192 -2.192 1238 2HG1 ILE 33 1HG1 ILE 33 12.534 -2.285 -2.285 1239 1HG2 ILE 33 3HG2 ILE 33 16.008 -3.943 -3.943 1240 2HG2 ILE 33 2HG2 ILE 33 16.081 -2.427 -2.427 1241 3HG2 ILE 33 1HG2 ILE 33 16.139 -3.965 -3.965 1242 1HD1 ILE 33 3HD1 ILE 33 14.003 -1.017 -1.017 1243 2HD1 ILE 33 2HD1 ILE 33 14.978 -0.605 -0.605 1244 3HD1 ILE 33 1HD1 ILE 33 13.277 -0.140 -0.140 1245 H THR 34 HN THR 34 15.694 -6.056 -6.056 1246 HA THR 34 HA THR 34 15.756 -7.579 -7.579 1247 HB THR 34 HB THR 34 15.503 -8.865 -8.865 1248 HG1 THR 34 1HG THR 34 13.534 -8.369 -8.369 1249 1HG2 THR 34 3HG2 THR 34 16.097 -10.191 -10.191 1250 2HG2 THR 34 2HG2 THR 34 15.694 -11.019 -11.019 1251 3HG2 THR 34 1HG2 THR 34 17.186 -10.085 -10.085 1252 H ASN 35 HN ASN 35 17.727 -8.772 -8.772 1253 HA ASN 35 HA ASN 35 19.971 -7.599 -7.599 1254 1HB ASN 35 2HB ASN 35 20.015 -6.928 -6.928 1255 2HB ASN 35 1HB ASN 35 19.837 -8.598 -8.598 1256 1HD2 ASN 35 2HD2 ASN 35 23.397 -7.695 -7.695 1257 2HD2 ASN 35 1HD2 ASN 35 21.902 -7.176 -7.176 1258 H ALA 36 HN ALA 36 20.821 -8.975 -8.975 1259 HA ALA 36 HA ALA 36 20.642 -11.853 -11.853 1260 1HB ALA 36 3HB ALA 36 19.912 -10.839 -10.839 1261 2HB ALA 36 2HB ALA 36 21.610 -10.486 -10.486 1262 3HB ALA 36 1HB ALA 36 21.077 -12.155 -12.155 1263 H GLY 37 HN GLY 37 22.568 -9.952 -9.952 1264 1HA GLY 37 2HA GLY 37 25.109 -11.076 -11.076 1265 2HA GLY 37 1HA GLY 37 24.952 -9.633 -9.633 1266 H GLY 38 HN GLY 38 26.568 -10.579 -10.579 1267 1HA GLY 38 2HA GLY 38 25.382 -12.552 -12.552 1268 2HA GLY 38 1HA GLY 38 27.057 -12.678 -12.678 1269 H ARG 39 HN ARG 39 25.855 -9.497 -9.497 1270 HA ARG 39 HA ARG 39 26.642 -9.347 -9.347 1271 1HB ARG 39 2HB ARG 39 28.336 -8.326 -8.326 1272 2HB ARG 39 1HB ARG 39 28.183 -7.315 -7.315 1273 1HG ARG 39 2HG ARG 39 29.116 -8.984 -8.984 1274 2HG ARG 39 1HG ARG 39 28.996 -10.205 -10.205 1275 1HD ARG 39 2HD ARG 39 30.573 -7.776 -7.776 1276 2HD ARG 39 1HD ARG 39 31.262 -8.894 -8.894 1277 HE ARG 39 HE ARG 39 30.966 -9.314 -9.314 1278 1HH1 ARG 39 1HH2 ARG 39 31.306 -10.843 -10.843 1279 2HH1 ARG 39 2HH2 ARG 39 31.950 -12.315 -12.315 1280 1HH2 ARG 39 1HH1 ARG 39 31.818 -11.244 -11.244 1281 2HH2 ARG 39 2HH1 ARG 39 32.243 -12.542 -12.542 1282 H ARG 40 HN ARG 40 26.236 -7.206 -7.206 1283 HA ARG 40 HA ARG 40 23.759 -6.169 -6.169 1284 1HB ARG 40 2HB ARG 40 25.966 -5.180 -5.180 1285 2HB ARG 40 1HB ARG 40 24.575 -4.153 -4.153 1286 1HG ARG 40 2HG ARG 40 23.438 -5.200 -5.200 1287 2HG ARG 40 1HG ARG 40 23.598 -6.716 -6.716 1288 1HD ARG 40 2HD ARG 40 24.647 -7.360 -7.360 1289 2HD ARG 40 1HD ARG 40 26.030 -6.609 -6.609 1290 HE ARG 40 HE ARG 40 24.780 -4.609 -4.609 1291 1HH1 ARG 40 1HH2 ARG 40 26.323 -7.657 -7.657 1292 2HH1 ARG 40 2HH2 ARG 40 26.853 -7.187 -7.187 1293 1HH2 ARG 40 1HH1 ARG 40 25.470 -3.981 -3.981 1294 2HH2 ARG 40 2HH1 ARG 40 26.367 -5.098 -5.098 1295 H ILE 41 HN ILE 41 23.159 -4.145 -4.145 1296 HA ILE 41 HA ILE 41 25.203 -2.644 -2.644 1297 HB ILE 41 HB ILE 41 23.796 -2.777 -2.777 1298 1HG1 ILE 41 2HG1 ILE 41 22.902 -5.426 -5.426 1299 2HG1 ILE 41 1HG1 ILE 41 21.919 -3.978 -3.978 1300 1HG2 ILE 41 2HG2 ILE 41 26.028 -4.026 -4.026 1301 2HG2 ILE 41 1HG2 ILE 41 24.993 -5.443 -5.443 1302 3HG2 ILE 41 3HG2 ILE 41 25.211 -4.334 -4.334 1303 1HD1 ILE 41 3HD1 ILE 41 21.968 -3.718 -3.718 1304 2HD1 ILE 41 2HD1 ILE 41 22.745 -5.299 -5.299 1305 3HD1 ILE 41 1HD1 ILE 41 21.119 -5.148 -5.148 1306 H GLY 42 HN GLY 42 24.764 -0.556 -0.556 1307 1HA GLY 42 2HA GLY 42 22.196 0.334 0.334 1308 2HA GLY 42 1HA GLY 42 23.576 1.357 1.357 1309 H TRP 43 HN TRP 43 21.090 2.237 2.237 1310 HA TRP 43 HA TRP 43 21.429 2.447 2.447 1311 1HB TRP 43 2HB TRP 43 19.291 1.453 1.453 1312 2HB TRP 43 1HB TRP 43 20.352 0.256 0.256 1313 HD1 TRP 43 1HD TRP 43 19.662 -0.636 -0.636 1314 HE1 TRP 43 1HE TRP 43 17.374 -0.730 -0.730 1315 HE3 TRP 43 3HE TRP 43 17.096 2.658 2.658 1316 HZ2 TRP 43 2HZ TRP 43 14.820 0.439 0.439 1317 HZ3 TRP 43 3HZ TRP 43 14.735 3.115 3.115 1318 HH2 TRP 43 2HH TRP 43 13.621 2.027 2.027 1319 H ALA 44 HN ALA 44 20.011 3.927 3.927 1320 HA ALA 44 HA ALA 44 18.184 5.447 5.447 1321 1HB ALA 44 1HB ALA 44 20.327 6.570 6.570 1322 2HB ALA 44 3HB ALA 44 20.520 6.729 6.729 1323 3HB ALA 44 2HB ALA 44 19.220 7.587 7.587 1324 H ILE 45 HN ILE 45 16.794 6.860 6.860 1325 HA ILE 45 HA ILE 45 16.660 6.070 6.070 1326 HB ILE 45 HB ILE 45 14.288 6.709 6.709 1327 1HG1 ILE 45 2HG1 ILE 45 15.519 4.609 4.609 1328 2HG1 ILE 45 1HG1 ILE 45 13.850 4.359 4.359 1329 1HG2 ILE 45 2HG2 ILE 45 14.677 6.040 6.040 1330 2HG2 ILE 45 1HG2 ILE 45 13.289 5.315 5.315 1331 3HG2 ILE 45 3HG2 ILE 45 13.470 7.069 7.069 1332 1HD1 ILE 45 2HD1 ILE 45 15.674 4.142 4.142 1333 2HD1 ILE 45 1HD1 ILE 45 16.085 3.024 3.024 1334 3HD1 ILE 45 3HD1 ILE 45 14.469 2.999 2.999 1335 H LYS 46 HN LYS 46 16.391 7.618 7.618 1336 HA LYS 46 HA LYS 46 15.620 10.313 10.313 1337 1HB LYS 46 2HB LYS 46 17.516 11.145 11.145 1338 2HB LYS 46 1HB LYS 46 17.909 10.677 10.677 1339 1HG LYS 46 2HG LYS 46 19.404 9.243 9.243 1340 2HG LYS 46 1HG LYS 46 18.125 8.364 8.364 1341 1HD LYS 46 2HD LYS 46 19.876 9.029 9.029 1342 2HD LYS 46 1HD LYS 46 18.366 9.867 9.867 1343 1HE LYS 46 2HE LYS 46 19.636 11.715 11.715 1344 2HE LYS 46 1HE LYS 46 19.552 11.603 11.603 1345 1HZ LYS 46 1HZ LYS 46 21.608 9.946 9.946 1346 2HZ LYS 46 3HZ LYS 46 21.796 11.252 11.252 1347 3HZ LYS 46 2HZ LYS 46 21.758 11.515 11.515 1348 H THR 47 HN THR 47 14.185 11.125 11.125 1349 HA THR 47 HA THR 47 13.970 9.935 9.935 1350 HB THR 47 HB THR 47 11.608 10.428 10.428 1351 HG1 THR 47 1HG THR 47 12.182 11.672 11.672 1352 1HG2 THR 47 3HG2 THR 47 12.710 8.505 8.505 1353 2HG2 THR 47 2HG2 THR 47 11.768 9.398 9.398 1354 3HG2 THR 47 1HG2 THR 47 10.977 8.730 8.730 1355 H THR 48 HN THR 48 13.104 11.347 11.347 1356 HA THR 48 HA THR 48 14.644 13.540 13.540 1357 HB THR 48 HB THR 48 12.457 14.231 14.231 1358 HG1 THR 48 1HG THR 48 11.047 12.778 12.778 1359 1HG2 THR 48 1HG2 THR 48 14.537 12.189 12.189 1360 2HG2 THR 48 3HG2 THR 48 13.141 12.189 12.189 1361 3HG2 THR 48 2HG2 THR 48 14.134 13.639 13.639 1362 H ASN 49 HN ASN 49 11.783 13.388 13.388 1363 HA ASN 49 HA ASN 49 12.115 16.243 16.243 1364 1HB ASN 49 2HB ASN 49 9.431 14.866 14.866 1365 2HB ASN 49 1HB ASN 49 9.743 16.584 16.584 1366 1HD2 ASN 49 2HD2 ASN 49 9.718 17.287 17.287 1367 2HD2 ASN 49 1HD2 ASN 49 9.605 17.816 17.816 1368 H MET 50 HN MET 50 12.578 16.521 16.521 1369 HA MET 50 HA MET 50 12.003 14.382 14.382 1370 1HB MET 50 2HB MET 50 13.863 16.707 16.707 1371 2HB MET 50 1HB MET 50 13.355 16.105 16.105 1372 1HG MET 50 2HG MET 50 14.355 14.159 14.159 1373 2HG MET 50 1HG MET 50 15.514 15.203 15.203 1374 1HE MET 50 2HE MET 50 13.919 12.201 12.201 1375 2HE MET 50 1HE MET 50 14.307 11.302 11.302 1376 3HE MET 50 3HE MET 50 12.751 12.119 12.119 1377 H ARG 51 HN ARG 51 10.117 16.667 16.667 1378 HA ARG 51 HA ARG 51 9.092 17.460 17.460 1379 1HB ARG 51 2HB ARG 51 8.393 18.902 18.902 1380 2HB ARG 51 1HB ARG 51 8.325 19.487 19.487 1381 1HG ARG 51 2HG ARG 51 11.015 18.825 18.825 1382 2HG ARG 51 1HG ARG 51 10.409 19.763 19.763 1383 1HD ARG 51 2HD ARG 51 9.402 21.214 21.214 1384 2HD ARG 51 1HD ARG 51 10.825 20.554 20.554 1385 HE ARG 51 HE ARG 51 11.631 21.551 21.551 1386 1HH1 ARG 51 1HH2 ARG 51 10.337 22.727 22.727 1387 2HH1 ARG 51 2HH2 ARG 51 11.099 24.277 24.277 1388 1HH2 ARG 51 1HH1 ARG 51 12.639 23.593 23.593 1389 2HH2 ARG 51 2HH1 ARG 51 12.406 24.770 24.770 1390 H ARG 52 HN ARG 52 8.027 16.801 16.801 1391 HA ARG 52 HA ARG 52 5.333 16.267 16.267 1392 1HB ARG 52 2HB ARG 52 6.753 15.671 15.671 1393 2HB ARG 52 1HB ARG 52 5.016 15.568 15.568 1394 1HG ARG 52 2HG ARG 52 6.673 18.072 18.072 1395 2HG ARG 52 1HG ARG 52 5.654 17.632 17.632 1396 1HD ARG 52 2HD ARG 52 4.010 18.734 18.734 1397 2HD ARG 52 1HD ARG 52 3.965 17.398 17.398 1398 HE ARG 52 HE ARG 52 4.735 18.848 18.848 1399 1HH1 ARG 52 1HH2 ARG 52 5.761 19.986 19.986 1400 2HH1 ARG 52 2HH2 ARG 52 6.515 21.416 21.416 1401 1HH2 ARG 52 1HH1 ARG 52 5.726 20.728 20.728 1402 2HH2 ARG 52 2HH1 ARG 52 6.495 21.837 21.837 1403 H LEU 53 HN LEU 53 8.219 14.384 14.384 1404 HA LEU 53 HA LEU 53 6.685 11.927 11.927 1405 1HB LEU 53 2HB LEU 53 9.459 11.937 11.937 1406 2HB LEU 53 1HB LEU 53 8.246 10.674 10.674 1407 HG LEU 53 HG LEU 53 7.820 13.289 13.289 1408 1HD1 LEU 53 3HD1 LEU 53 9.469 10.946 10.946 1409 2HD1 LEU 53 2HD1 LEU 53 8.686 12.033 12.033 1410 3HD1 LEU 53 1HD1 LEU 53 9.885 12.660 12.660 1411 1HD2 LEU 53 3HD2 LEU 53 6.744 10.494 10.494 1412 2HD2 LEU 53 2HD2 LEU 53 5.864 11.982 11.982 1413 3HD2 LEU 53 1HD2 LEU 53 6.530 11.709 11.709 1414 H SER 54 HN SER 54 6.951 11.082 11.082 1415 HA SER 54 HA SER 54 9.428 11.706 11.706 1416 1HB SER 54 2HB SER 54 7.025 12.577 12.577 1417 2HB SER 54 1HB SER 54 6.960 10.972 10.972 1418 HG SER 54 HG SER 54 8.671 13.120 13.120 1419 H VAL 55 HN VAL 55 10.157 10.093 10.093 1420 HA VAL 55 HA VAL 55 9.301 7.364 7.364 1421 HB VAL 55 HB VAL 55 11.828 6.916 6.916 1422 1HG1 VAL 55 3HG1 VAL 55 10.391 6.679 6.679 1423 2HG1 VAL 55 2HG1 VAL 55 11.731 7.707 7.707 1424 3HG1 VAL 55 1HG1 VAL 55 12.054 6.133 6.133 1425 1HG2 VAL 55 3HG2 VAL 55 12.286 9.342 9.342 1426 2HG2 VAL 55 2HG2 VAL 55 13.357 8.546 8.546 1427 3HG2 VAL 55 1HG2 VAL 55 12.024 9.545 9.545 1428 H ASP 56 HN ASP 56 9.566 5.772 5.772 1429 HA ASP 56 HA ASP 56 10.322 6.494 6.494 1430 1HB ASP 56 2HB ASP 56 8.128 7.632 7.632 1431 2HB ASP 56 1HB ASP 56 7.368 6.086 6.086 1432 HA PRO 57 HA PRO 57 11.483 5.584 5.584 1433 1HB PRO 57 2HB PRO 57 13.621 3.968 3.968 1434 2HB PRO 57 1HB PRO 57 12.203 3.796 3.796 1435 1HG PRO 57 2HG PRO 57 12.964 2.231 2.231 1436 2HG PRO 57 1HG PRO 57 12.322 1.649 1.649 1437 1HD PRO 57 2HD PRO 57 10.785 1.994 1.994 1438 2HD PRO 57 1HD PRO 57 10.155 2.138 2.138 1439 HA PRO 58 HA PRO 58 13.625 7.062 7.062 1440 1HB PRO 58 2HB PRO 58 15.207 8.916 8.916 1441 2HB PRO 58 1HB PRO 58 13.479 9.162 9.162 1442 1HG PRO 58 2HG PRO 58 14.893 8.308 8.308 1443 2HG PRO 58 1HG PRO 58 13.568 9.470 9.470 1444 1HD PRO 58 2HD PRO 58 13.165 6.931 6.931 1445 2HD PRO 58 1HD PRO 58 11.967 7.815 7.815 1446 H CYS 59 HN CYS 59 15.263 5.842 5.842 1447 HA CYS 59 HA CYS 59 17.349 4.721 4.721 1448 1HB CYS 59 2HB CYS 59 19.177 5.601 5.601 1449 2HB CYS 59 1HB CYS 59 18.322 6.878 6.878 1450 HG CYS 59 HG CYS 59 17.164 6.651 6.651 1451 H GLY 60 HN GLY 60 18.900 3.385 3.385 1452 1HA GLY 60 2HA GLY 60 18.379 2.520 2.520 1453 2HA GLY 60 1HA GLY 60 17.222 1.632 1.632 1454 H VAL 61 HN VAL 61 18.403 -0.239 -0.239 1455 HA VAL 61 HA VAL 61 20.645 -0.913 -0.913 1456 HB VAL 61 HB VAL 61 20.662 -1.725 -1.725 1457 1HG1 VAL 61 1HG1 VAL 61 22.767 -1.676 -1.676 1458 2HG1 VAL 61 3HG1 VAL 61 23.068 -2.087 -2.087 1459 3HG1 VAL 61 2HG1 VAL 61 22.007 -3.100 -3.100 1460 1HG2 VAL 61 2HG2 VAL 61 22.001 0.672 0.672 1461 2HG2 VAL 61 1HG2 VAL 61 20.738 0.692 0.692 1462 3HG2 VAL 61 3HG2 VAL 61 22.335 0.055 0.055 1463 H LEU 62 HN LEU 62 20.908 -3.161 -3.161 1464 HA LEU 62 HA LEU 62 18.598 -4.815 -4.815 1465 1HB LEU 62 2HB LEU 62 19.761 -4.264 -4.264 1466 2HB LEU 62 1HB LEU 62 19.277 -5.920 -5.920 1467 HG LEU 62 HG LEU 62 17.012 -4.905 -4.905 1468 1HD1 LEU 62 2HD1 LEU 62 18.455 -2.550 -2.550 1469 2HD1 LEU 62 1HD1 LEU 62 16.989 -2.771 -2.771 1470 3HD1 LEU 62 3HD1 LEU 62 16.891 -2.689 -2.689 1471 1HD2 LEU 62 1HD2 LEU 62 17.928 -4.892 -4.892 1472 2HD2 LEU 62 3HD2 LEU 62 17.278 -6.266 -6.266 1473 3HD2 LEU 62 2HD2 LEU 62 16.245 -4.885 -4.885 1474 H ASP 63 HN ASP 63 19.020 -7.160 -7.160 1475 HA ASP 63 HA ASP 63 21.835 -7.747 -7.747 1476 1HB ASP 63 2HB ASP 63 21.125 -9.345 -9.345 1477 2HB ASP 63 1HB ASP 63 20.143 -7.914 -7.914 1478 HA PRO 64 HA PRO 64 22.236 -10.899 -10.899 1479 1HB PRO 64 2HB PRO 64 22.429 -13.012 -13.012 1480 2HB PRO 64 1HB PRO 64 23.554 -12.609 -12.609 1481 1HG PRO 64 2HG PRO 64 24.114 -11.940 -11.940 1482 2HG PRO 64 1HG PRO 64 24.481 -10.830 -10.830 1483 1HD PRO 64 2HD PRO 64 22.225 -10.753 -10.753 1484 2HD PRO 64 1HD PRO 64 23.195 -9.415 -9.415 1485 H LYS 65 HN LYS 65 20.469 -11.340 -11.340 1486 HA LYS 65 HA LYS 65 18.600 -12.408 -12.408 1487 1HB LYS 65 2HB LYS 65 19.749 -14.447 -14.447 1488 2HB LYS 65 1HB LYS 65 18.969 -14.218 -14.218 1489 1HG LYS 65 2HG LYS 65 17.189 -15.321 -15.321 1490 2HG LYS 65 1HG LYS 65 16.971 -14.176 -14.176 1491 1HD LYS 65 2HD LYS 65 17.261 -16.080 -16.080 1492 2HD LYS 65 1HD LYS 65 18.951 -15.602 -15.602 1493 1HE LYS 65 2HE LYS 65 19.397 -17.517 -17.517 1494 2HE LYS 65 1HE LYS 65 18.233 -17.115 -17.115 1495 1HZ LYS 65 1HZ LYS 65 16.574 -17.948 -17.948 1496 2HZ LYS 65 3HZ LYS 65 17.929 -18.848 -18.848 1497 3HZ LYS 65 2HZ LYS 65 17.299 -19.013 -19.013 1498 H GLU 66 HN GLU 66 18.316 -10.120 -10.120 1499 HA GLU 66 HA GLU 66 15.859 -10.751 -10.751 1500 1HB GLU 66 2HB GLU 66 16.986 -9.717 -9.717 1501 2HB GLU 66 1HB GLU 66 18.135 -8.987 -8.987 1502 1HG GLU 66 2HG GLU 66 16.904 -7.069 -7.069 1503 2HG GLU 66 1HG GLU 66 15.382 -7.866 -7.866 1504 H LYS 67 HN LYS 67 13.985 -9.702 -9.702 1505 HA LYS 67 HA LYS 67 14.052 -7.891 -7.891 1506 1HB LYS 67 2HB LYS 67 11.697 -8.719 -8.719 1507 2HB LYS 67 1HB LYS 67 12.977 -9.893 -9.893 1508 1HG LYS 67 2HG LYS 67 12.330 -11.211 -11.211 1509 2HG LYS 67 1HG LYS 67 11.753 -9.852 -9.852 1510 1HD LYS 67 2HD LYS 67 9.697 -9.804 -9.804 1511 2HD LYS 67 1HD LYS 67 10.309 -10.602 -10.602 1512 1HE LYS 67 2HE LYS 67 10.725 -12.545 -12.545 1513 2HE LYS 67 1HE LYS 67 9.324 -11.754 -11.754 1514 1HZ LYS 67 2HZ LYS 67 9.297 -12.443 -12.443 1515 2HZ LYS 67 1HZ LYS 67 8.989 -13.644 -13.644 1516 3HZ LYS 67 3HZ LYS 67 7.999 -12.274 -12.274 1517 H VAL 68 HN VAL 68 13.689 -5.868 -5.868 1518 HA VAL 68 HA VAL 68 11.927 -5.369 -5.369 1519 HB VAL 68 HB VAL 68 12.886 -3.135 -3.135 1520 1HG1 VAL 68 2HG1 VAL 68 14.900 -5.368 -5.368 1521 2HG1 VAL 68 1HG1 VAL 68 15.265 -3.766 -3.766 1522 3HG1 VAL 68 3HG1 VAL 68 14.060 -4.781 -4.781 1523 1HG2 VAL 68 3HG2 VAL 68 13.865 -3.880 -3.880 1524 2HG2 VAL 68 2HG2 VAL 68 13.522 -2.290 -2.290 1525 3HG2 VAL 68 1HG2 VAL 68 15.063 -3.080 -3.080 1526 H LEU 69 HN LEU 69 10.250 -3.850 -3.850 1527 HA LEU 69 HA LEU 69 9.144 -3.504 -3.504 1528 1HB LEU 69 2HB LEU 69 8.042 -3.968 -3.968 1529 2HB LEU 69 1HB LEU 69 7.286 -2.582 -2.582 1530 HG LEU 69 HG LEU 69 6.103 -4.753 -4.753 1531 1HD1 LEU 69 3HD1 LEU 69 6.542 -2.649 -2.649 1532 2HD1 LEU 69 2HD1 LEU 69 6.806 -4.084 -4.084 1533 3HD1 LEU 69 1HD1 LEU 69 5.280 -3.874 -3.874 1534 1HD2 LEU 69 2HD2 LEU 69 8.336 -5.998 -5.998 1535 2HD2 LEU 69 1HD2 LEU 69 7.001 -6.456 -6.456 1536 3HD2 LEU 69 3HD2 LEU 69 8.299 -5.431 -5.431 1537 H MET 70 HN MET 70 9.104 -1.597 -1.597 1538 HA MET 70 HA MET 70 9.713 0.806 0.806 1539 1HB MET 70 2HB MET 70 11.495 0.346 0.346 1540 2HB MET 70 1HB MET 70 10.358 0.145 0.145 1541 1HG MET 70 2HG MET 70 9.770 2.503 2.503 1542 2HG MET 70 1HG MET 70 10.890 2.712 2.712 1543 1HE MET 70 2HE MET 70 11.387 0.487 0.487 1544 2HE MET 70 1HE MET 70 10.540 1.898 1.898 1545 3HE MET 70 3HE MET 70 12.219 1.605 1.605 1546 H ALA 71 HN ALA 71 8.810 2.826 2.826 1547 HA ALA 71 HA ALA 71 6.248 2.461 2.461 1548 1HB ALA 71 3HB ALA 71 5.867 2.676 2.676 1549 2HB ALA 71 2HB ALA 71 6.669 4.245 4.245 1550 3HB ALA 71 1HB ALA 71 5.162 4.007 4.007 1551 H VAL 72 HN VAL 72 5.664 4.059 4.059 1552 HA VAL 72 HA VAL 72 7.463 6.374 6.374 1553 HB VAL 72 HB VAL 72 6.442 4.749 4.749 1554 1HG1 VAL 72 3HG1 VAL 72 6.952 7.342 7.342 1555 2HG1 VAL 72 2HG1 VAL 72 8.613 6.765 6.765 1556 3HG1 VAL 72 1HG1 VAL 72 7.408 6.261 6.261 1557 1HG2 VAL 72 3HG2 VAL 72 8.169 3.558 3.558 1558 2HG2 VAL 72 2HG2 VAL 72 8.728 4.011 4.011 1559 3HG2 VAL 72 1HG2 VAL 72 9.248 4.938 4.938 1560 H SER 73 HN SER 73 6.099 7.957 7.957 1561 HA SER 73 HA SER 73 3.324 7.979 7.979 1562 1HB SER 73 2HB SER 73 4.716 9.062 9.062 1563 2HB SER 73 1HB SER 73 4.440 10.474 10.474 1564 HG SER 73 HG SER 73 2.642 10.350 10.350 1565 H CYS 74 HN CYS 74 2.302 9.414 9.414 1566 HA CYS 74 HA CYS 74 4.070 10.927 10.927 1567 1HB CYS 74 2HB CYS 74 2.111 8.862 8.862 1568 2HB CYS 74 1HB CYS 74 1.751 10.355 10.355 1569 HG CYS 74 HG CYS 74 3.715 8.428 8.428 1570 H ASP 75 HN ASP 75 3.405 12.957 12.957 1571 HA ASP 75 HA ASP 75 1.282 14.129 14.129 1572 1HB ASP 75 2HB ASP 75 3.673 15.159 15.159 1573 2HB ASP 75 1HB ASP 75 2.294 16.247 16.247 1574 H THR 76 HN THR 76 -0.502 15.167 15.167 1575 HA THR 76 HA THR 76 -1.660 14.188 14.188 1576 HB THR 76 HB THR 76 -3.446 15.633 15.633 1577 HG1 THR 76 1HG THR 76 -3.005 17.660 17.660 1578 1HG2 THR 76 3HG2 THR 76 -2.701 14.191 14.191 1579 2HG2 THR 76 2HG2 THR 76 -2.331 15.756 15.756 1580 3HG2 THR 76 1HG2 THR 76 -3.972 15.400 15.400 1581 H PHE 77 HN PHE 77 -2.352 15.426 15.426 1582 HA PHE 77 HA PHE 77 -1.076 17.816 17.816 1583 1HB PHE 77 2HB PHE 77 0.573 17.071 17.071 1584 2HB PHE 77 1HB PHE 77 0.863 16.175 16.175 1585 HD1 PHE 77 2HD PHE 77 -0.544 13.870 13.870 1586 HD2 PHE 77 1HD PHE 77 0.743 15.895 15.895 1587 HE1 PHE 77 2HE PHE 77 -0.661 11.757 11.757 1588 HE2 PHE 77 1HE PHE 77 0.628 13.787 13.787 1589 HZ PHE 77 HZ PHE 77 -0.076 11.715 11.715 1590 H ASN 78 HN ASN 78 -0.935 17.322 17.322 1591 HA ASN 78 HA ASN 78 -3.707 16.555 16.555 1592 1HB ASN 78 2HB ASN 78 -3.004 19.123 19.123 1593 2HB ASN 78 1HB ASN 78 -2.413 18.726 18.726 1594 1HD2 ASN 78 2HD2 ASN 78 -5.532 19.192 19.192 1595 2HD2 ASN 78 1HD2 ASN 78 -3.816 19.362 19.362 1596 H ALA 79 HN ALA 79 -3.197 14.578 14.578 1597 HA ALA 79 HA ALA 79 -1.046 14.086 14.086 1598 1HB ALA 79 1HB ALA 79 -2.169 12.323 12.323 1599 2HB ALA 79 3HB ALA 79 -3.614 12.531 12.531 1600 3HB ALA 79 2HB ALA 79 -2.117 11.952 11.952 1601 H ALA 80 HN ALA 80 -4.174 15.455 15.455 1602 HA ALA 80 HA ALA 80 -4.627 14.833 14.833 1603 1HB ALA 80 1HB ALA 80 -5.841 16.435 16.435 1604 2HB ALA 80 3HB ALA 80 -5.507 17.502 17.502 1605 3HB ALA 80 2HB ALA 80 -6.460 16.036 16.036 1606 H THR 81 HN THR 81 -2.835 17.524 17.524 1607 HA THR 81 HA THR 81 -1.589 17.993 17.993 1608 HB THR 81 HB THR 81 -1.607 20.411 20.411 1609 HG1 THR 81 1HG THR 81 -2.543 21.231 21.231 1610 1HG2 THR 81 3HG2 THR 81 -3.522 19.271 19.271 1611 2HG2 THR 81 2HG2 THR 81 -4.416 19.418 19.418 1612 3HG2 THR 81 1HG2 THR 81 -3.844 20.866 20.866 1613 H GLU 82 HN GLU 82 -0.180 16.404 16.404 1614 HA GLU 82 HA GLU 82 2.095 17.953 17.953 1615 1HB GLU 82 2HB GLU 82 0.612 16.225 16.225 1616 2HB GLU 82 1HB GLU 82 2.261 16.786 16.786 1617 1HG GLU 82 2HG GLU 82 -0.188 18.511 18.511 1618 2HG GLU 82 1HG GLU 82 0.705 18.185 18.185 1619 H ASP 83 HN ASP 83 3.980 16.569 16.569 1620 HA ASP 83 HA ASP 83 4.180 14.463 14.463 1621 1HB ASP 83 2HB ASP 83 6.477 14.194 14.194 1622 2HB ASP 83 1HB ASP 83 6.100 15.872 15.872 1623 H LEU 84 HN LEU 84 4.637 12.247 12.247 1624 HA LEU 84 HA LEU 84 4.001 11.233 11.233 1625 1HB LEU 84 2HB LEU 84 2.785 10.114 10.114 1626 2HB LEU 84 1HB LEU 84 2.484 9.577 9.577 1627 HG LEU 84 HG LEU 84 1.823 12.384 12.384 1628 1HD1 LEU 84 2HD1 LEU 84 0.796 10.414 10.414 1629 2HD1 LEU 84 1HD1 LEU 84 -0.294 10.308 10.308 1630 3HD1 LEU 84 3HD1 LEU 84 -0.155 11.818 11.818 1631 1HD2 LEU 84 2HD2 LEU 84 1.847 11.329 11.329 1632 2HD2 LEU 84 1HD2 LEU 84 0.598 12.470 12.470 1633 3HD2 LEU 84 3HD2 LEU 84 0.262 10.739 10.739 1634 H ASN 85 HN ASN 85 6.433 11.473 11.473 1635 HA ASN 85 HA ASN 85 7.334 8.725 8.725 1636 1HB ASN 85 2HB ASN 85 7.123 10.124 10.124 1637 2HB ASN 85 1HB ASN 85 8.563 9.150 9.150 1638 1HD2 ASN 85 2HD2 ASN 85 4.899 7.375 7.375 1639 2HD2 ASN 85 1HD2 ASN 85 5.038 9.048 9.048 1640 H ASN 86 HN ASN 86 7.780 11.348 11.348 1641 HA ASN 86 HA ASN 86 10.660 11.670 11.670 1642 1HB ASN 86 2HB ASN 86 8.517 13.575 13.575 1643 2HB ASN 86 1HB ASN 86 10.118 13.847 13.847 1644 1HD2 ASN 86 2HD2 ASN 86 9.722 13.988 13.988 1645 2HD2 ASN 86 1HD2 ASN 86 8.811 12.850 12.850 1646 H ASP 87 HN ASP 87 8.262 10.960 10.960 1647 HA ASP 87 HA ASP 87 9.953 11.243 11.243 1648 1HB ASP 87 2HB ASP 87 7.456 11.253 11.253 1649 2HB ASP 87 1HB ASP 87 7.476 9.529 9.529 1650 H ARG 88 HN ARG 88 11.526 9.952 9.952 1651 HA ARG 88 HA ARG 88 11.410 7.090 7.090 1652 1HB ARG 88 2HB ARG 88 13.629 8.926 8.926 1653 2HB ARG 88 1HB ARG 88 13.890 7.204 7.204 1654 1HG ARG 88 2HG ARG 88 13.262 6.917 6.917 1655 2HG ARG 88 1HG ARG 88 11.625 7.336 7.336 1656 1HD ARG 88 2HD ARG 88 11.692 9.207 9.207 1657 2HD ARG 88 1HD ARG 88 13.151 9.728 9.728 1658 HE ARG 88 HE ARG 88 14.368 9.124 9.124 1659 1HH1 ARG 88 1HH2 ARG 88 11.264 7.549 7.549 1660 2HH1 ARG 88 2HH2 ARG 88 11.519 6.911 6.911 1661 1HH2 ARG 88 1HH1 ARG 88 14.714 8.286 8.286 1662 2HH2 ARG 88 2HH1 ARG 88 13.481 7.330 7.330 1663 H ILE 89 HN ILE 89 12.110 5.883 5.883 1664 HA ILE 89 HA ILE 89 13.185 7.273 7.273 1665 HB ILE 89 HB ILE 89 12.184 4.433 4.433 1666 1HG1 ILE 89 2HG1 ILE 89 10.849 6.870 6.870 1667 2HG1 ILE 89 1HG1 ILE 89 10.426 6.140 6.140 1668 1HG2 ILE 89 2HG2 ILE 89 13.129 6.058 6.058 1669 2HG2 ILE 89 1HG2 ILE 89 12.077 4.655 4.655 1670 3HG2 ILE 89 3HG2 ILE 89 13.674 4.466 4.466 1671 1HD1 ILE 89 3HD1 ILE 89 10.332 4.080 4.080 1672 2HD1 ILE 89 2HD1 ILE 89 9.522 5.473 5.473 1673 3HD1 ILE 89 1HD1 ILE 89 8.986 4.847 4.847 1674 H THR 90 HN THR 90 15.242 7.111 7.111 1675 HA THR 90 HA THR 90 16.925 5.085 5.085 1676 HB THR 90 HB THR 90 17.698 7.797 7.797 1677 HG1 THR 90 1HG THR 90 17.260 6.806 6.806 1678 1HG2 THR 90 1HG2 THR 90 19.315 5.523 5.523 1679 2HG2 THR 90 3HG2 THR 90 19.739 7.089 7.089 1680 3HG2 THR 90 2HG2 THR 90 19.732 6.869 6.869 1681 H ILE 91 HN ILE 91 17.126 3.430 3.430 1682 HA ILE 91 HA ILE 91 17.392 3.871 3.871 1683 HB ILE 91 HB ILE 91 17.530 1.256 1.256 1684 1HG1 ILE 91 2HG1 ILE 91 15.089 1.177 1.177 1685 2HG1 ILE 91 1HG1 ILE 91 15.219 2.923 2.923 1686 1HG2 ILE 91 1HG2 ILE 91 17.500 2.035 2.035 1687 2HG2 ILE 91 3HG2 ILE 91 16.562 0.613 0.613 1688 3HG2 ILE 91 2HG2 ILE 91 18.290 0.675 0.675 1689 1HD1 ILE 91 1HD1 ILE 91 16.079 1.672 1.672 1690 2HD1 ILE 91 3HD1 ILE 91 14.513 1.012 1.012 1691 3HD1 ILE 91 2HD1 ILE 91 14.712 2.752 2.752 1692 H GLU 92 HN GLU 92 19.214 3.262 3.262 1693 HA GLU 92 HA GLU 92 21.631 2.491 2.491 1694 1HB GLU 92 2HB GLU 92 21.829 4.781 4.781 1695 2HB GLU 92 1HB GLU 92 22.924 4.320 4.320 1696 1HG GLU 92 2HG GLU 92 21.136 5.004 5.004 1697 2HG GLU 92 1HG GLU 92 20.246 5.664 5.664 1698 H TRP 93 HN TRP 93 23.323 1.688 1.688 1699 HA TRP 93 HA TRP 93 22.951 1.424 1.424 1700 1HB TRP 93 2HB TRP 93 22.566 -0.920 -0.920 1701 2HB TRP 93 1HB TRP 93 21.368 -0.300 -0.300 1702 HD1 TRP 93 1HD TRP 93 23.841 -3.000 -3.000 1703 HE1 TRP 93 1HE TRP 93 24.238 -4.170 -4.170 1704 HE3 TRP 93 3HE TRP 93 21.610 0.410 0.410 1705 HZ2 TRP 93 2HZ TRP 93 23.683 -3.709 -3.709 1706 HZ3 TRP 93 3HZ TRP 93 21.587 -0.030 -0.030 1707 HH2 TRP 93 2HH TRP 93 22.603 -2.047 -2.047 1708 H THR 94 HN THR 94 24.766 0.580 0.580 1709 HA THR 94 HA THR 94 27.036 -0.295 -0.295 1710 HB THR 94 HB THR 94 27.662 1.921 1.921 1711 HG1 THR 94 1HG THR 94 28.614 1.280 1.280 1712 1HG2 THR 94 1HG2 THR 94 25.934 2.257 2.257 1713 2HG2 THR 94 3HG2 THR 94 27.420 3.202 3.202 1714 3HG2 THR 94 2HG2 THR 94 26.346 3.389 3.389 1715 H ASN 95 HN ASN 95 28.467 -1.568 -1.568 1716 HA ASN 95 HA ASN 95 27.599 -2.968 -2.968 1717 1HB ASN 95 2HB ASN 95 29.804 -3.069 -3.069 1718 2HB ASN 95 1HB ASN 95 30.501 -2.843 -2.843 1719 1HD2 ASN 95 2HD2 ASN 95 29.824 -6.469 -6.469 1720 2HD2 ASN 95 1HD2 ASN 95 30.445 -5.158 -5.158 1721 H THR 96 HN THR 96 27.866 -2.807 -2.807 1722 HA THR 96 HA THR 96 28.730 -0.208 -0.208 1723 HB THR 96 HB THR 96 27.533 -0.698 -0.698 1724 HG1 THR 96 1HG THR 96 28.027 -2.666 -2.666 1725 1HG2 THR 96 3HG2 THR 96 26.153 -0.571 -0.571 1726 2HG2 THR 96 2HG2 THR 96 25.822 -2.267 -2.267 1727 3HG2 THR 96 1HG2 THR 96 25.378 -1.022 -1.022 1728 HA PRO 97 HA PRO 97 32.714 -1.359 -1.359 1729 1HB PRO 97 2HB PRO 97 31.801 -0.147 -0.147 1730 2HB PRO 97 1HB PRO 97 33.279 0.153 0.153 1731 1HG PRO 97 2HG PRO 97 31.274 1.901 1.901 1732 2HG PRO 97 1HG PRO 97 32.209 1.545 1.545 1733 1HD PRO 97 2HD PRO 97 29.462 0.673 0.673 1734 2HD PRO 97 1HD PRO 97 30.131 1.042 1.042 1735 H ASP 98 HN ASP 98 33.762 -2.679 -2.679 1736 HA ASP 98 HA ASP 98 32.519 -5.073 -5.073 1737 1HB ASP 98 2HB ASP 98 34.845 -3.712 -3.712 1738 2HB ASP 98 1HB ASP 98 34.311 -5.317 -5.317 1739 H GLY 99 HN GLY 99 30.735 -5.433 -5.433 1740 1HA GLY 99 2HA GLY 99 29.153 -5.306 -5.306 1741 2HA GLY 99 1HA GLY 99 30.527 -5.131 -5.131 1742 H ALA 100 HN ALA 100 29.218 -2.981 -2.981 1743 HA ALA 100 HA ALA 100 29.630 -0.630 -0.630 1744 1HB ALA 100 3HB ALA 100 28.792 -1.267 -1.267 1745 2HB ALA 100 2HB ALA 100 27.444 -0.374 -0.374 1746 3HB ALA 100 1HB ALA 100 29.053 0.347 0.347 1747 H ALA 101 HN ALA 101 28.072 0.822 0.822 1748 HA ALA 101 HA ALA 101 26.387 -0.350 -0.350 1749 1HB ALA 101 1HB ALA 101 26.603 2.444 2.444 1750 2HB ALA 101 3HB ALA 101 25.405 2.007 2.007 1751 3HB ALA 101 2HB ALA 101 27.124 1.806 1.806 1752 H LYS 102 HN LYS 102 24.059 0.033 0.033 1753 HA LYS 102 HA LYS 102 22.686 -0.773 -0.773 1754 1HB LYS 102 2HB LYS 102 21.779 -0.594 -0.594 1755 2HB LYS 102 1HB LYS 102 20.729 -1.085 -1.085 1756 1HG LYS 102 2HG LYS 102 21.632 -3.138 -3.138 1757 2HG LYS 102 1HG LYS 102 23.266 -2.556 -2.556 1758 1HD LYS 102 2HD LYS 102 23.015 -2.716 -2.716 1759 2HD LYS 102 1HD LYS 102 21.266 -2.486 -2.486 1760 1HE LYS 102 2HE LYS 102 21.187 -4.772 -4.772 1761 2HE LYS 102 1HE LYS 102 22.855 -4.966 -4.966 1762 1HZ LYS 102 3HZ LYS 102 21.397 -4.098 -4.098 1763 2HZ LYS 102 2HZ LYS 102 20.475 -5.316 -5.316 1764 3HZ LYS 102 1HZ LYS 102 22.067 -5.631 -5.631 1765 H GLN 103 HN GLN 103 23.155 1.417 1.417 1766 HA GLN 103 HA GLN 103 20.783 2.949 2.949 1767 1HB GLN 103 2HB GLN 103 21.892 5.093 5.093 1768 2HB GLN 103 1HB GLN 103 21.342 3.918 3.918 1769 1HG GLN 103 2HG GLN 103 23.935 3.143 3.143 1770 2HG GLN 103 1HG GLN 103 24.018 4.904 4.904 1771 1HE2 GLN 103 2HE2 GLN 103 23.169 5.386 5.386 1772 2HE2 GLN 103 1HE2 GLN 103 23.037 6.074 6.074 1773 H PHE 104 HN PHE 104 20.678 3.761 3.761 1774 HA PHE 104 HA PHE 104 22.669 3.555 3.555 1775 1HB PHE 104 2HB PHE 104 20.353 3.864 3.864 1776 2HB PHE 104 1HB PHE 104 20.329 5.467 5.467 1777 HD1 PHE 104 1HD PHE 104 21.802 3.467 3.467 1778 HD2 PHE 104 2HD PHE 104 20.996 7.356 7.356 1779 HE1 PHE 104 1HE PHE 104 22.479 4.447 4.447 1780 HE2 PHE 104 2HE PHE 104 21.670 8.344 8.344 1781 HZ PHE 104 HZ PHE 104 22.413 6.889 6.889 1782 H ARG 105 HN ARG 105 24.482 4.632 4.632 1783 HA ARG 105 HA ARG 105 24.886 7.220 7.220 1784 1HB ARG 105 2HB ARG 105 26.527 4.881 4.881 1785 2HB ARG 105 1HB ARG 105 27.339 6.249 6.249 1786 1HG ARG 105 2HG ARG 105 27.819 7.172 7.172 1787 2HG ARG 105 1HG ARG 105 26.187 6.908 6.908 1788 1HD ARG 105 2HD ARG 105 27.253 4.368 4.368 1789 2HD ARG 105 1HD ARG 105 28.617 5.361 5.361 1790 HE ARG 105 HE ARG 105 26.290 4.713 4.713 1791 1HH1 ARG 105 1HH2 ARG 105 28.777 7.100 7.100 1792 2HH1 ARG 105 2HH2 ARG 105 28.678 7.725 7.725 1793 1HH2 ARG 105 1HH1 ARG 105 26.150 5.529 5.529 1794 2HH2 ARG 105 2HH1 ARG 105 27.185 6.832 6.832 1795 H ARG 106 HN ARG 106 25.847 8.945 8.945 1796 HA ARG 106 HA ARG 106 25.182 9.001 9.001 1797 1HB ARG 106 2HB ARG 106 24.587 10.902 10.902 1798 2HB ARG 106 1HB ARG 106 26.278 11.146 11.146 1799 1HG ARG 106 2HG ARG 106 26.626 12.367 12.367 1800 2HG ARG 106 1HG ARG 106 25.907 11.138 11.138 1801 1HD ARG 106 2HD ARG 106 24.147 12.455 12.455 1802 2HD ARG 106 1HD ARG 106 23.793 12.347 12.347 1803 HE ARG 106 HE ARG 106 24.943 14.574 14.574 1804 1HH1 ARG 106 1HH2 ARG 106 24.702 12.953 12.953 1805 2HH1 ARG 106 2HH2 ARG 106 25.050 14.376 14.376 1806 1HH2 ARG 106 1HH1 ARG 106 25.405 16.454 16.454 1807 2HH2 ARG 106 2HH1 ARG 106 25.449 16.367 16.367 1808 H GLU 107 HN GLU 107 27.991 8.588 8.588 1809 HA GLU 107 HA GLU 107 29.905 9.471 9.471 1810 1HB GLU 107 2HB GLU 107 31.551 8.351 8.351 1811 2HB GLU 107 1HB GLU 107 30.488 9.447 9.447 1812 1HG GLU 107 2HG GLU 107 29.165 7.567 7.567 1813 2HG GLU 107 1HG GLU 107 30.183 6.455 6.455 1814 H TRP 108 HN TRP 108 27.932 6.739 6.739 1815 HA TRP 108 HA TRP 108 29.721 4.789 4.789 1816 1HB TRP 108 2HB TRP 108 26.713 5.010 5.010 1817 2HB TRP 108 1HB TRP 108 27.558 3.637 3.637 1818 HD1 TRP 108 1HD TRP 108 29.689 4.284 4.284 1819 HE1 TRP 108 1HE TRP 108 29.049 2.946 2.946 1820 HE3 TRP 108 3HE TRP 108 24.939 2.923 2.923 1821 HZ2 TRP 108 2HZ TRP 108 26.826 1.505 1.505 1822 HZ3 TRP 108 3HZ TRP 108 23.623 1.564 1.564 1823 HH2 TRP 108 2HH TRP 108 24.549 0.870 0.870 1824 H PHE 109 HN PHE 109 27.819 7.319 7.319 1825 HA PHE 109 HA PHE 109 28.551 6.353 6.353 1826 1HB PHE 109 2HB PHE 109 26.450 8.344 8.344 1827 2HB PHE 109 1HB PHE 109 26.836 7.992 7.992 1828 HD1 PHE 109 1HD PHE 109 25.876 6.223 6.223 1829 HD2 PHE 109 2HD PHE 109 25.581 6.417 6.417 1830 HE1 PHE 109 1HE PHE 109 24.275 4.354 4.354 1831 HE2 PHE 109 2HE PHE 109 23.981 4.548 4.548 1832 HZ PHE 109 HZ PHE 109 23.325 3.515 3.515 1833 H GLN 110 HN GLN 110 30.506 7.574 7.574 1834 HA GLN 110 HA GLN 110 30.950 10.100 10.100 1835 1HB GLN 110 2HB GLN 110 32.091 10.995 10.995 1836 2HB GLN 110 1HB GLN 110 30.559 10.349 10.349 1837 1HG GLN 110 2HG GLN 110 31.684 9.215 9.215 1838 2HG GLN 110 1HG GLN 110 32.373 8.244 8.244 1839 1HE2 GLN 110 2HE2 GLN 110 35.259 9.424 9.424 1840 2HE2 GLN 110 1HE2 GLN 110 33.975 8.278 8.278 1841 H GLY 111 HN GLY 111 31.717 7.292 7.292 1842 1HA GLY 111 2HA GLY 111 34.449 7.873 7.873 1843 2HA GLY 111 1HA GLY 111 34.295 6.567 6.567 1844 H ASP 112 HN ASP 112 35.298 6.496 6.496 1845 HA ASP 112 HA ASP 112 33.294 5.121 5.121 1846 1HB ASP 112 2HB ASP 112 35.619 6.497 6.497 1847 2HB ASP 112 1HB ASP 112 36.053 4.816 4.816 1848 H GLY 113 HN GLY 113 33.546 2.943 2.943 1849 1HA GLY 113 2HA GLY 113 34.993 0.890 0.890 1850 2HA GLY 113 1HA GLY 113 34.831 1.207 1.207 1851 H MET 114 HN MET 114 32.716 1.016 1.016 1852 HA MET 114 HA MET 114 30.975 -0.818 -0.818 1853 1HB MET 114 2HB MET 114 31.095 -0.650 -0.650 1854 2HB MET 114 1HB MET 114 30.420 -1.933 -1.933 1855 1HG MET 114 2HG MET 114 32.357 -2.933 -2.933 1856 2HG MET 114 1HG MET 114 32.920 -2.092 -2.092 1857 1HE MET 114 2HE MET 114 34.895 -3.145 -3.145 1858 2HE MET 114 1HE MET 114 35.763 -1.756 -1.756 1859 3HE MET 114 3HE MET 114 35.844 -2.111 -2.111 1860 H VAL 115 HN VAL 115 29.371 0.375 0.375 1861 HA VAL 115 HA VAL 115 27.280 1.317 1.317 1862 HB VAL 115 HB VAL 115 28.780 3.092 3.092 1863 1HG1 VAL 115 2HG1 VAL 115 30.005 2.985 2.985 1864 2HG1 VAL 115 1HG1 VAL 115 28.908 4.320 4.320 1865 3HG1 VAL 115 3HG1 VAL 115 30.033 4.437 4.437 1866 1HG2 VAL 115 1HG2 VAL 115 26.242 3.432 3.432 1867 2HG2 VAL 115 3HG2 VAL 115 27.032 4.460 4.460 1868 3HG2 VAL 115 2HG2 VAL 115 27.192 4.822 4.822 1869 H ARG 116 HN ARG 116 26.070 0.346 0.346 1870 HA ARG 116 HA ARG 116 26.227 1.529 1.529 1871 1HB ARG 116 2HB ARG 116 25.619 -1.175 -1.175 1872 2HB ARG 116 1HB ARG 116 24.597 -0.624 -0.624 1873 1HG ARG 116 2HG ARG 116 26.782 -0.028 -0.028 1874 2HG ARG 116 1HG ARG 116 27.564 -1.035 -1.035 1875 1HD ARG 116 2HD ARG 116 26.006 -2.882 -2.882 1876 2HD ARG 116 1HD ARG 116 25.450 -1.867 -1.867 1877 HE ARG 116 HE ARG 116 28.243 -2.062 -2.062 1878 1HH1 ARG 116 1HH2 ARG 116 25.412 -4.047 -4.047 1879 2HH1 ARG 116 2HH2 ARG 116 26.162 -5.113 -5.113 1880 1HH2 ARG 116 1HH1 ARG 116 29.243 -3.461 -3.461 1881 2HH2 ARG 116 2HH1 ARG 116 28.341 -4.780 -4.780 1882 H ARG 117 HN ARG 117 24.260 1.978 1.978 1883 HA ARG 117 HA ARG 117 21.834 2.210 2.210 1884 1HB ARG 117 2HB ARG 117 21.536 4.586 4.586 1885 2HB ARG 117 1HB ARG 117 22.902 4.334 4.334 1886 1HG ARG 117 2HG ARG 117 23.558 4.213 4.213 1887 2HG ARG 117 1HG ARG 117 22.985 5.782 5.782 1888 1HD ARG 117 2HD ARG 117 24.905 4.559 4.559 1889 2HD ARG 117 1HD ARG 117 25.563 4.814 4.814 1890 HE ARG 117 HE ARG 117 24.337 7.175 7.175 1891 1HH1 ARG 117 1HH2 ARG 117 26.823 5.203 5.203 1892 2HH1 ARG 117 2HH2 ARG 117 27.647 6.542 6.542 1893 1HH2 ARG 117 1HH1 ARG 117 25.412 8.945 8.945 1894 2HH2 ARG 117 2HH1 ARG 117 26.844 8.670 8.670 1895 H LYS 118 HN LYS 118 20.046 1.821 1.821 1896 HA LYS 118 HA LYS 118 20.309 1.743 1.743 1897 1HB LYS 118 2HB LYS 118 19.453 -0.252 -0.252 1898 2HB LYS 118 1HB LYS 118 18.096 0.175 0.175 1899 1HG LYS 118 2HG LYS 118 20.086 -0.077 -0.077 1900 2HG LYS 118 1HG LYS 118 20.563 -1.277 -1.277 1901 1HD LYS 118 2HD LYS 118 17.804 -1.099 -1.099 1902 2HD LYS 118 1HD LYS 118 19.079 -2.155 -2.155 1903 1HE LYS 118 2HE LYS 118 18.745 -2.437 -2.437 1904 2HE LYS 118 1HE LYS 118 17.232 -2.737 -2.737 1905 1HZ LYS 118 3HZ LYS 118 19.391 -4.005 -4.005 1906 2HZ LYS 118 2HZ LYS 118 19.355 -4.477 -4.477 1907 3HZ LYS 118 1HZ LYS 118 17.988 -4.692 -4.692 1908 H ASN 119 HN ASN 119 18.484 2.369 2.369 1909 HA ASN 119 HA ASN 119 16.755 4.291 4.291 1910 1HB ASN 119 2HB ASN 119 17.154 4.074 4.074 1911 2HB ASN 119 1HB ASN 119 16.504 5.434 5.434 1912 1HD2 ASN 119 2HD2 ASN 119 19.933 5.947 5.947 1913 2HD2 ASN 119 1HD2 ASN 119 18.441 5.390 5.390 1914 H LEU 120 HN LEU 120 14.512 4.440 4.440 1915 HA LEU 120 HA LEU 120 13.402 1.987 1.987 1916 1HB LEU 120 2HB LEU 120 13.052 3.011 3.011 1917 2HB LEU 120 1HB LEU 120 11.542 2.659 2.659 1918 HG LEU 120 HG LEU 120 12.423 0.356 0.356 1919 1HD1 LEU 120 1HD1 LEU 120 14.748 1.513 1.513 1920 2HD1 LEU 120 3HD1 LEU 120 14.283 -0.103 -0.103 1921 3HD1 LEU 120 2HD1 LEU 120 14.654 0.194 0.194 1922 1HD2 LEU 120 1HD2 LEU 120 11.043 1.239 1.239 1923 2HD2 LEU 120 3HD2 LEU 120 11.566 -0.439 -0.439 1924 3HD2 LEU 120 2HD2 LEU 120 12.483 0.693 0.693 1925 HA PRO 121 HA PRO 121 11.041 5.110 5.110 1926 1HB PRO 121 2HB PRO 121 9.698 3.494 3.494 1927 2HB PRO 121 1HB PRO 121 11.436 3.762 3.762 1928 1HG PRO 121 2HG PRO 121 9.993 1.446 1.446 1929 2HG PRO 121 1HG PRO 121 11.418 1.447 1.447 1930 1HD PRO 121 2HD PRO 121 11.507 1.199 1.199 1931 2HD PRO 121 1HD PRO 121 12.848 1.794 1.794 1932 H ILE 122 HN ILE 122 9.259 6.119 6.119 1933 HA ILE 122 HA ILE 122 7.203 4.564 4.564 1934 HB ILE 122 HB ILE 122 7.452 7.567 7.567 1935 1HG1 ILE 122 2HG1 ILE 122 9.503 6.416 6.416 1936 2HG1 ILE 122 1HG1 ILE 122 8.682 7.489 7.489 1937 1HG2 ILE 122 3HG2 ILE 122 5.267 6.642 6.642 1938 2HG2 ILE 122 2HG2 ILE 122 6.055 5.736 5.736 1939 3HG2 ILE 122 1HG2 ILE 122 6.056 7.500 7.500 1940 1HD1 ILE 122 1HD1 ILE 122 7.596 4.880 4.880 1941 2HD1 ILE 122 3HD1 ILE 122 9.355 4.774 4.774 1942 3HD1 ILE 122 2HD1 ILE 122 8.504 5.838 5.838 1943 H GLU 123 HN GLU 123 5.113 4.492 4.492 1944 HA GLU 123 HA GLU 123 4.399 5.893 5.893 1945 1HB GLU 123 2HB GLU 123 4.512 3.136 3.136 1946 2HB GLU 123 1HB GLU 123 2.801 3.528 3.528 1947 1HG GLU 123 2HG GLU 123 2.641 3.909 3.909 1948 2HG GLU 123 1HG GLU 123 4.169 4.787 4.787 1949 H TYR 124 HN TYR 124 2.089 6.352 6.352 1950 HA TYR 124 HA TYR 124 0.779 6.745 6.745 1951 1HB TYR 124 2HB TYR 124 0.825 8.622 8.622 1952 2HB TYR 124 1HB TYR 124 -0.193 8.842 8.842 1953 HD1 TYR 124 1HD TYR 124 3.373 8.484 8.484 1954 HD2 TYR 124 2HD TYR 124 0.619 10.023 10.023 1955 HE1 TYR 124 1HE TYR 124 5.210 9.675 9.675 1956 HE2 TYR 124 2HE TYR 124 2.446 11.220 11.220 1957 HH TYR 124 HH TYR 124 5.219 10.711 10.711 1958 H ASN 125 HN ASN 125 -1.031 5.632 5.632 1959 HA ASN 125 HA ASN 125 -2.617 5.112 5.112 1960 1HB ASN 125 2HB ASN 125 -1.721 3.046 3.046 1961 2HB ASN 125 1HB ASN 125 -2.401 3.448 3.448 1962 1HD2 ASN 125 2HD2 ASN 125 -5.103 1.440 1.440 1963 2HD2 ASN 125 1HD2 ASN 125 -3.744 1.710 1.710 1964 H LEU 126 HN LEU 126 -4.804 5.503 5.503 1965 HA LEU 126 HA LEU 126 -5.737 7.134 7.134 1966 1HB LEU 126 2HB LEU 126 -7.021 6.714 6.714 1967 2HB LEU 126 1HB LEU 126 -7.487 7.899 7.899 1968 HG LEU 126 HG LEU 126 -4.969 7.870 7.870 1969 1HD1 LEU 126 3HD1 LEU 126 -7.397 9.625 9.625 1970 2HD1 LEU 126 2HD1 LEU 126 -5.878 10.194 10.194 1971 3HD1 LEU 126 1HD1 LEU 126 -6.703 8.807 8.807 1972 1HD2 LEU 126 1HD2 LEU 126 -5.638 9.333 9.333 1973 2HD2 LEU 126 3HD2 LEU 126 -4.103 8.646 8.646 1974 3HD2 LEU 126 2HD2 LEU 126 -4.689 10.147 10.147 Start of MODEL 17 1 1H ALA 1 2HN ALA 1 -36.315 -1.390 -1.390 2 2H ALA 1 1HN ALA 1 -37.253 -2.377 -2.377 3 3H ALA 1 3HN ALA 1 -35.561 -2.623 -2.623 4 HA ALA 1 HA ALA 1 -35.679 -3.582 -3.582 5 1HB ALA 1 2HB ALA 1 -38.267 -4.289 -4.289 6 2HB ALA 1 1HB ALA 1 -37.502 -5.235 -5.235 7 3HB ALA 1 3HB ALA 1 -36.692 -5.031 -5.031 8 H GLN 2 HN GLN 2 -38.639 -1.760 -1.760 9 HA GLN 2 HA GLN 2 -39.241 -1.743 -1.743 10 1HB GLN 2 2HB GLN 2 -40.915 -0.770 -0.770 11 2HB GLN 2 1HB GLN 2 -41.430 -0.861 -0.861 12 1HG GLN 2 2HG GLN 2 -41.305 -3.254 -3.254 13 2HG GLN 2 1HG GLN 2 -40.598 -3.238 -3.238 14 1HE2 GLN 2 2HE2 GLN 2 -44.599 -2.586 -2.586 15 2HE2 GLN 2 1HE2 GLN 2 -43.490 -2.356 -2.356 16 H SER 3 HN SER 3 -37.663 -0.278 -0.278 17 HA SER 3 HA SER 3 -38.361 2.507 2.507 18 1HB SER 3 2HB SER 3 -36.252 1.408 1.408 19 2HB SER 3 1HB SER 3 -35.458 2.170 2.170 20 HG SER 3 HG SER 3 -37.225 3.391 3.391 21 H VAL 4 HN VAL 4 -36.796 3.921 3.921 22 HA VAL 4 HA VAL 4 -37.142 2.973 2.973 23 HB VAL 4 HB VAL 4 -36.188 5.136 5.136 24 1HG1 VAL 4 1HG1 VAL 4 -38.488 4.823 4.823 25 2HG1 VAL 4 3HG1 VAL 4 -37.890 6.478 6.478 26 3HG1 VAL 4 2HG1 VAL 4 -38.372 5.601 5.601 27 1HG2 VAL 4 2HG2 VAL 4 -34.550 5.316 5.316 28 2HG2 VAL 4 1HG2 VAL 4 -35.501 6.783 6.783 29 3HG2 VAL 4 3HG2 VAL 4 -35.879 5.687 5.687 30 HA PRO 5 HA PRO 5 -33.280 1.187 1.187 31 1HB PRO 5 2HB PRO 5 -33.013 3.336 3.336 32 2HB PRO 5 1HB PRO 5 -32.879 1.583 1.583 33 1HG PRO 5 2HG PRO 5 -35.068 2.863 2.863 34 2HG PRO 5 1HG PRO 5 -35.179 1.276 1.276 35 1HD PRO 5 2HD PRO 5 -35.790 3.983 3.983 36 2HD PRO 5 1HD PRO 5 -36.569 2.425 2.425 37 HA PRO 6 HA PRO 6 -30.129 3.568 3.568 38 1HB PRO 6 2HB PRO 6 -27.909 2.292 2.292 39 2HB PRO 6 1HB PRO 6 -29.014 1.579 1.579 40 1HG PRO 6 2HG PRO 6 -28.825 1.098 1.098 41 2HG PRO 6 1HG PRO 6 -29.038 -0.076 -0.076 42 1HD PRO 6 2HD PRO 6 -31.099 0.800 0.800 43 2HD PRO 6 1HD PRO 6 -31.298 0.341 0.341 44 H GLY 7 HN GLY 7 -28.376 5.033 5.033 45 1HA GLY 7 2HA GLY 7 -28.628 6.390 6.390 46 2HA GLY 7 1HA GLY 7 -27.671 6.917 6.917 47 H ASP 8 HN ASP 8 -25.839 7.408 7.408 48 HA ASP 8 HA ASP 8 -24.432 5.085 5.085 49 1HB ASP 8 2HB ASP 8 -25.303 7.212 7.212 50 2HB ASP 8 1HB ASP 8 -23.671 7.727 7.727 51 H ILE 9 HN ILE 9 -22.343 4.791 4.791 52 HA ILE 9 HA ILE 9 -21.232 6.750 6.750 53 HB ILE 9 HB ILE 9 -19.960 4.915 4.915 54 1HG1 ILE 9 2HG1 ILE 9 -21.418 2.704 2.704 55 2HG1 ILE 9 1HG1 ILE 9 -20.565 3.595 3.595 56 1HG2 ILE 9 2HG2 ILE 9 -22.170 5.477 5.477 57 2HG2 ILE 9 1HG2 ILE 9 -22.903 4.290 4.290 58 3HG2 ILE 9 3HG2 ILE 9 -21.805 3.763 3.763 59 1HD1 ILE 9 1HD1 ILE 9 -18.486 3.366 3.366 60 2HD1 ILE 9 3HD1 ILE 9 -19.371 2.358 2.358 61 3HD1 ILE 9 2HD1 ILE 9 -19.169 1.826 1.826 62 H ASN 10 HN ASN 10 -19.014 7.224 7.224 63 HA ASN 10 HA ASN 10 -17.793 6.734 6.734 64 1HB ASN 10 2HB ASN 10 -18.102 9.076 9.076 65 2HB ASN 10 1HB ASN 10 -16.389 8.675 8.675 66 1HD2 ASN 10 2HD2 ASN 10 -18.070 9.906 9.906 67 2HD2 ASN 10 1HD2 ASN 10 -19.037 9.462 9.462 68 H THR 11 HN THR 11 -15.545 6.212 6.212 69 HA THR 11 HA THR 11 -14.260 5.297 5.297 70 HB THR 11 HB THR 11 -13.648 3.138 3.138 71 HG1 THR 11 1HG THR 11 -14.773 2.710 2.710 72 1HG2 THR 11 2HG2 THR 11 -16.449 3.498 3.498 73 2HG2 THR 11 1HG2 THR 11 -15.633 1.958 1.958 74 3HG2 THR 11 3HG2 THR 11 -15.029 3.074 3.074 75 H GLN 12 HN GLN 12 -12.005 4.989 4.989 76 HA GLN 12 HA GLN 12 -10.755 5.898 5.898 77 1HB GLN 12 2HB GLN 12 -10.645 7.204 7.204 78 2HB GLN 12 1HB GLN 12 -9.124 7.086 7.086 79 1HG GLN 12 2HG GLN 12 -11.405 8.049 8.049 80 2HG GLN 12 1HG GLN 12 -10.886 9.108 9.108 81 1HE2 GLN 12 2HE2 GLN 12 -8.609 8.601 8.601 82 2HE2 GLN 12 1HE2 GLN 12 -10.004 7.627 7.627 83 HA PRO 13 HA PRO 13 -9.158 5.342 5.342 84 1HB PRO 13 2HB PRO 13 -8.875 3.004 3.004 85 2HB PRO 13 1HB PRO 13 -7.514 3.970 3.970 86 1HG PRO 13 2HG PRO 13 -8.761 1.534 1.534 87 2HG PRO 13 1HG PRO 13 -7.043 1.941 1.941 88 1HD PRO 13 2HD PRO 13 -8.332 2.258 2.258 89 2HD PRO 13 1HD PRO 13 -7.067 3.386 3.386 90 H SER 14 HN SER 14 -10.760 5.300 5.300 91 HA SER 14 HA SER 14 -13.249 4.042 4.042 92 1HB SER 14 2HB SER 14 -12.942 6.534 6.534 93 2HB SER 14 1HB SER 14 -13.008 5.914 5.914 94 HG SER 14 HG SER 14 -15.086 6.308 6.308 95 H GLN 15 HN GLN 15 -10.815 2.911 2.911 96 HA GLN 15 HA GLN 15 -12.583 1.560 1.560 97 1HB GLN 15 2HB GLN 15 -10.300 1.368 1.368 98 2HB GLN 15 1HB GLN 15 -11.382 2.739 2.739 99 1HG GLN 15 2HG GLN 15 -9.416 3.067 3.067 100 2HG GLN 15 1HG GLN 15 -8.718 2.888 2.888 101 1HE2 GLN 15 2HE2 GLN 15 -9.331 6.163 6.163 102 2HE2 GLN 15 1HE2 GLN 15 -8.413 4.713 4.713 103 H LYS 16 HN LYS 16 -9.310 1.291 1.291 104 HA LYS 16 HA LYS 16 -9.827 -1.234 -1.234 105 1HB LYS 16 2HB LYS 16 -8.260 -2.558 -2.558 106 2HB LYS 16 1HB LYS 16 -9.754 -2.097 -2.097 107 1HG LYS 16 2HG LYS 16 -8.403 -0.106 -0.106 108 2HG LYS 16 1HG LYS 16 -6.988 -1.040 -1.040 109 1HD LYS 16 2HD LYS 16 -7.829 -2.932 -2.932 110 2HD LYS 16 1HD LYS 16 -9.149 -1.900 -1.900 111 1HE LYS 16 2HE LYS 16 -6.374 -0.881 -0.881 112 2HE LYS 16 1HE LYS 16 -6.892 -2.170 -2.170 113 1HZ LYS 16 2HZ LYS 16 -8.917 -0.659 -0.659 114 2HZ LYS 16 1HZ LYS 16 -7.946 0.570 0.570 115 3HZ LYS 16 3HZ LYS 16 -7.457 -0.259 -0.259 116 H ILE 17 HN ILE 17 -7.652 -2.303 -2.303 117 HA ILE 17 HA ILE 17 -5.729 -0.169 -0.169 118 HB ILE 17 HB ILE 17 -7.039 -0.881 -0.881 119 1HG1 ILE 17 2HG1 ILE 17 -4.167 -1.811 -1.811 120 2HG1 ILE 17 1HG1 ILE 17 -4.649 -0.117 -0.117 121 1HG2 ILE 17 2HG2 ILE 17 -5.856 -3.574 -3.574 122 2HG2 ILE 17 1HG2 ILE 17 -6.566 -3.162 -3.162 123 3HG2 ILE 17 3HG2 ILE 17 -7.562 -3.140 -3.140 124 1HD1 ILE 17 3HD1 ILE 17 -6.187 -1.245 -1.245 125 2HD1 ILE 17 2HD1 ILE 17 -4.603 -2.001 -2.001 126 3HD1 ILE 17 1HD1 ILE 17 -4.749 -0.243 -0.243 127 H VAL 18 HN VAL 18 -3.524 -0.828 -0.828 128 HA VAL 18 HA VAL 18 -2.881 -3.299 -3.299 129 HB VAL 18 HB VAL 18 -1.234 -0.770 -0.770 130 1HG1 VAL 18 2HG1 VAL 18 -0.880 -3.426 -3.426 131 2HG1 VAL 18 1HG1 VAL 18 -0.104 -1.968 -1.968 132 3HG1 VAL 18 3HG1 VAL 18 0.257 -2.536 -2.536 133 1HG2 VAL 18 1HG2 VAL 18 -3.462 -1.576 -1.576 134 2HG2 VAL 18 3HG2 VAL 18 -2.686 -0.001 -0.001 135 3HG2 VAL 18 2HG2 VAL 18 -2.007 -1.202 -1.202 136 H PHE 19 HN PHE 19 -2.781 -4.504 -4.504 137 HA PHE 19 HA PHE 19 -1.369 -3.936 -3.936 138 1HB PHE 19 2HB PHE 19 -1.964 -6.507 -6.507 139 2HB PHE 19 1HB PHE 19 -0.956 -6.520 -6.520 140 HD1 PHE 19 1HD PHE 19 -3.566 -4.013 -4.013 141 HD2 PHE 19 2HD PHE 19 -2.653 -8.006 -8.006 142 HE1 PHE 19 1HE PHE 19 -5.583 -4.063 -4.063 143 HE2 PHE 19 2HE PHE 19 -4.669 -8.062 -8.062 144 HZ PHE 19 HZ PHE 19 -6.138 -6.089 -6.089 145 H ASN 20 HN ASN 20 0.606 -3.016 -3.016 146 HA ASN 20 HA ASN 20 2.607 -3.751 -3.751 147 1HB ASN 20 2HB ASN 20 2.952 -2.169 -2.169 148 2HB ASN 20 1HB ASN 20 4.033 -2.180 -2.180 149 1HD2 ASN 20 2HD2 ASN 20 1.099 0.458 0.458 150 2HD2 ASN 20 1HD2 ASN 20 1.688 -0.475 -0.475 151 H ALA 21 HN ALA 21 4.289 -5.112 -5.112 152 HA ALA 21 HA ALA 21 4.275 -7.269 -7.269 153 1HB ALA 21 2HB ALA 21 5.746 -6.494 -6.494 154 2HB ALA 21 1HB ALA 21 6.949 -6.619 -6.619 155 3HB ALA 21 3HB ALA 21 5.925 -8.002 -8.002 156 HA PRO 22 HA PRO 22 6.547 -8.503 -8.503 157 1HB PRO 22 2HB PRO 22 7.260 -9.855 -9.855 158 2HB PRO 22 1HB PRO 22 8.373 -8.733 -8.733 159 1HG PRO 22 2HG PRO 22 6.678 -8.318 -8.318 160 2HG PRO 22 1HG PRO 22 8.368 -7.858 -7.858 161 1HD PRO 22 2HD PRO 22 6.267 -6.122 -6.122 162 2HD PRO 22 1HD PRO 22 7.793 -5.948 -5.948 163 H TYR 23 HN TYR 23 5.646 -10.660 -10.660 164 HA TYR 23 HA TYR 23 2.997 -10.505 -10.505 165 1HB TYR 23 2HB TYR 23 3.856 -12.231 -12.231 166 2HB TYR 23 1HB TYR 23 2.236 -12.156 -12.156 167 HD1 TYR 23 2HD TYR 23 2.246 -9.129 -9.129 168 HD2 TYR 23 1HD TYR 23 3.267 -11.526 -11.526 169 HE1 TYR 23 2HE TYR 23 1.699 -7.258 -7.258 170 HE2 TYR 23 1HE TYR 23 2.723 -9.655 -9.655 171 HH TYR 23 HH TYR 23 2.672 -6.778 -6.778 172 H ASP 24 HN ASP 24 5.501 -11.240 -11.240 173 HA ASP 24 HA ASP 24 4.888 -14.035 -14.035 174 1HB ASP 24 2HB ASP 24 7.258 -13.124 -13.124 175 2HB ASP 24 1HB ASP 24 7.541 -12.986 -12.986 176 H ASP 25 HN ASP 25 4.291 -11.056 -11.056 177 HA ASP 25 HA ASP 25 4.367 -11.917 -11.917 178 1HB ASP 25 2HB ASP 25 6.326 -10.320 -10.320 179 2HB ASP 25 1HB ASP 25 5.082 -9.076 -9.076 180 H LYS 26 HN LYS 26 2.891 -10.727 -10.727 181 HA LYS 26 HA LYS 26 0.419 -10.178 -10.178 182 1HB LYS 26 2HB LYS 26 1.185 -9.943 -9.943 183 2HB LYS 26 1HB LYS 26 -0.450 -9.773 -9.773 184 1HG LYS 26 2HG LYS 26 -0.120 -12.125 -12.125 185 2HG LYS 26 1HG LYS 26 1.265 -12.225 -12.225 186 1HD LYS 26 2HD LYS 26 -1.572 -11.611 -11.611 187 2HD LYS 26 1HD LYS 26 -0.775 -13.177 -13.177 188 1HE LYS 26 2HE LYS 26 0.622 -10.839 -10.839 189 2HE LYS 26 1HE LYS 26 -0.861 -11.352 -11.352 190 1HZ LYS 26 3HZ LYS 26 0.160 -13.657 -13.657 191 2HZ LYS 26 2HZ LYS 26 1.623 -12.900 -12.900 192 3HZ LYS 26 1HZ LYS 26 0.843 -12.539 -12.539 193 H HIS 27 HN HIS 27 -0.007 -8.304 -8.304 194 HA HIS 27 HA HIS 27 1.032 -5.837 -5.837 195 1HB HIS 27 2HB HIS 27 0.435 -6.427 -6.427 196 2HB HIS 27 1HB HIS 27 0.863 -4.837 -4.837 197 HD1 HIS 27 1HD HIS 27 3.093 -6.281 -6.281 198 HD2 HIS 27 2HD HIS 27 2.787 -6.407 -6.407 199 HE1 HIS 27 1HE HIS 27 5.404 -6.833 -6.833 200 H THR 28 HN THR 28 -0.338 -4.013 -4.013 201 HA THR 28 HA THR 28 -3.198 -4.665 -4.665 202 HB THR 28 HB THR 28 -1.936 -2.685 -2.685 203 HG1 THR 28 1HG THR 28 -2.375 -4.237 -4.237 204 1HG2 THR 28 3HG2 THR 28 -4.753 -3.720 -3.720 205 2HG2 THR 28 2HG2 THR 28 -4.112 -2.765 -2.765 206 3HG2 THR 28 1HG2 THR 28 -4.208 -2.066 -2.066 207 H TYR 29 HN TYR 29 -4.354 -3.504 -3.504 208 HA TYR 29 HA TYR 29 -3.173 -1.034 -1.034 209 1HB TYR 29 2HB TYR 29 -5.338 -2.745 -2.745 210 2HB TYR 29 1HB TYR 29 -4.482 -1.407 -1.407 211 HD1 TYR 29 1HD TYR 29 -4.234 -4.907 -4.907 212 HD2 TYR 29 2HD TYR 29 -2.251 -1.692 -1.692 213 HE1 TYR 29 1HE TYR 29 -2.555 -6.480 -6.480 214 HE2 TYR 29 2HE TYR 29 -0.567 -3.256 -3.256 215 HH TYR 29 HH TYR 29 0.112 -6.053 -6.053 216 H HIS 30 HN HIS 30 -4.151 0.857 0.857 217 HA HIS 30 HA HIS 30 -6.640 0.856 0.856 218 1HB HIS 30 2HB HIS 30 -4.630 3.012 3.012 219 2HB HIS 30 1HB HIS 30 -6.149 3.341 3.341 220 HD1 HIS 30 1HD HIS 30 -4.681 4.114 4.114 221 HD2 HIS 30 2HD HIS 30 -4.383 0.097 0.097 222 HE1 HIS 30 1HE HIS 30 -3.605 2.957 2.957 223 H ILE 31 HN ILE 31 -8.508 0.956 0.956 224 HA ILE 31 HA ILE 31 -8.645 2.305 2.305 225 HB ILE 31 HB ILE 31 -10.633 0.399 0.399 226 1HG1 ILE 31 2HG1 ILE 31 -8.614 -0.805 -0.805 227 2HG1 ILE 31 1HG1 ILE 31 -9.817 -1.170 -1.170 228 1HG2 ILE 31 1HG2 ILE 31 -10.675 2.104 2.104 229 2HG2 ILE 31 3HG2 ILE 31 -11.130 0.426 0.426 230 3HG2 ILE 31 2HG2 ILE 31 -12.004 1.381 1.381 231 1HD1 ILE 31 1HD1 ILE 31 -8.484 1.002 1.002 232 2HD1 ILE 31 3HD1 ILE 31 -7.211 0.069 0.069 233 3HD1 ILE 31 2HD1 ILE 31 -8.231 -0.688 -0.688 234 H LYS 32 HN LYS 32 -10.125 3.941 3.941 235 HA LYS 32 HA LYS 32 -11.249 5.154 5.154 236 1HB LYS 32 2HB LYS 32 -9.696 6.314 6.314 237 2HB LYS 32 1HB LYS 32 -11.245 6.592 6.592 238 1HG LYS 32 2HG LYS 32 -11.972 7.524 7.524 239 2HG LYS 32 1HG LYS 32 -10.239 7.626 7.626 240 1HD LYS 32 2HD LYS 32 -10.850 9.735 9.735 241 2HD LYS 32 1HD LYS 32 -10.062 8.894 8.894 242 1HE LYS 32 2HE LYS 32 -12.318 8.231 8.231 243 2HE LYS 32 1HE LYS 32 -13.023 9.245 9.245 244 1HZ LYS 32 2HZ LYS 32 -11.046 10.496 10.496 245 2HZ LYS 32 1HZ LYS 32 -12.539 10.124 10.124 246 3HZ LYS 32 3HZ LYS 32 -12.469 11.133 11.133 247 H ILE 33 HN ILE 33 -13.369 5.661 5.661 248 HA ILE 33 HA ILE 33 -15.217 4.978 4.978 249 HB ILE 33 HB ILE 33 -15.641 4.181 4.181 250 1HG1 ILE 33 2HG1 ILE 33 -15.084 2.424 2.424 251 2HG1 ILE 33 1HG1 ILE 33 -13.900 2.829 2.829 252 1HG2 ILE 33 2HG2 ILE 33 -17.298 3.871 3.871 253 2HG2 ILE 33 1HG2 ILE 33 -17.548 2.875 2.875 254 3HG2 ILE 33 3HG2 ILE 33 -17.745 4.624 4.624 255 1HD1 ILE 33 1HD1 ILE 33 -15.960 1.856 1.856 256 2HD1 ILE 33 3HD1 ILE 33 -16.060 0.870 0.870 257 3HD1 ILE 33 2HD1 ILE 33 -14.558 0.928 0.928 258 H THR 34 HN THR 34 -17.251 6.075 6.075 259 HA THR 34 HA THR 34 -17.615 8.115 8.115 260 HB THR 34 HB THR 34 -17.123 8.806 8.806 261 HG1 THR 34 1HG THR 34 -15.235 8.793 8.793 262 1HG2 THR 34 2HG2 THR 34 -19.033 10.107 10.107 263 2HG2 THR 34 1HG2 THR 34 -18.055 10.660 10.660 264 3HG2 THR 34 3HG2 THR 34 -17.609 11.109 11.109 265 H ASN 35 HN ASN 35 -19.663 9.206 9.206 266 HA ASN 35 HA ASN 35 -21.674 7.598 7.598 267 1HB ASN 35 2HB ASN 35 -21.819 7.451 7.451 268 2HB ASN 35 1HB ASN 35 -22.013 9.200 9.200 269 1HD2 ASN 35 2HD2 ASN 35 -25.433 8.952 8.952 270 2HD2 ASN 35 1HD2 ASN 35 -24.022 9.716 9.716 271 H ALA 36 HN ALA 36 -22.228 8.666 8.666 272 HA ALA 36 HA ALA 36 -22.164 11.534 11.534 273 1HB ALA 36 2HB ALA 36 -21.637 9.862 9.862 274 2HB ALA 36 1HB ALA 36 -23.386 9.731 9.731 275 3HB ALA 36 3HB ALA 36 -22.588 11.289 11.289 276 H GLY 37 HN GLY 37 -24.394 9.438 9.438 277 1HA GLY 37 2HA GLY 37 -26.779 10.777 10.777 278 2HA GLY 37 1HA GLY 37 -26.704 9.497 9.497 279 H GLY 38 HN GLY 38 -28.393 11.095 11.095 280 1HA GLY 38 2HA GLY 38 -27.011 13.103 13.103 281 2HA GLY 38 1HA GLY 38 -28.655 13.296 13.296 282 H ARG 39 HN ARG 39 -27.654 10.171 10.171 283 HA ARG 39 HA ARG 39 -28.758 10.577 10.577 284 1HB ARG 39 2HB ARG 39 -29.827 8.464 8.464 285 2HB ARG 39 1HB ARG 39 -30.316 8.713 8.713 286 1HG ARG 39 2HG ARG 39 -31.129 10.975 10.975 287 2HG ARG 39 1HG ARG 39 -30.779 10.564 10.564 288 1HD ARG 39 2HD ARG 39 -32.767 9.268 9.268 289 2HD ARG 39 1HD ARG 39 -33.091 10.144 10.144 290 HE ARG 39 HE ARG 39 -31.481 8.034 8.034 291 1HH1 ARG 39 1HH2 ARG 39 -34.575 8.423 8.423 292 2HH1 ARG 39 2HH2 ARG 39 -35.210 6.928 6.928 293 1HH2 ARG 39 1HH1 ARG 39 -32.309 6.063 6.063 294 2HH2 ARG 39 2HH1 ARG 39 -33.922 5.586 5.586 295 H ARG 40 HN ARG 40 -28.766 8.227 8.227 296 HA ARG 40 HA ARG 40 -26.001 7.398 7.398 297 1HB ARG 40 2HB ARG 40 -26.779 5.841 5.841 298 2HB ARG 40 1HB ARG 40 -26.897 7.568 7.568 299 1HG ARG 40 2HG ARG 40 -29.312 6.454 6.454 300 2HG ARG 40 1HG ARG 40 -28.891 5.726 5.726 301 1HD ARG 40 2HD ARG 40 -28.908 8.701 8.701 302 2HD ARG 40 1HD ARG 40 -30.386 7.818 7.818 303 HE ARG 40 HE ARG 40 -28.378 7.100 7.100 304 1HH1 ARG 40 1HH2 ARG 40 -30.428 9.785 9.785 305 2HH1 ARG 40 2HH2 ARG 40 -30.457 10.436 10.436 306 1HH2 ARG 40 1HH1 ARG 40 -28.410 7.948 7.948 307 2HH2 ARG 40 2HH1 ARG 40 -29.310 9.391 9.391 308 H ILE 41 HN ILE 41 -25.323 5.179 5.179 309 HA ILE 41 HA ILE 41 -27.180 3.343 3.343 310 HB ILE 41 HB ILE 41 -25.516 2.908 2.908 311 1HG1 ILE 41 2HG1 ILE 41 -24.474 5.642 5.642 312 2HG1 ILE 41 1HG1 ILE 41 -23.643 4.137 4.137 313 1HG2 ILE 41 1HG2 ILE 41 -27.672 4.301 4.301 314 2HG2 ILE 41 3HG2 ILE 41 -26.596 5.697 5.697 315 3HG2 ILE 41 2HG2 ILE 41 -26.502 4.456 4.456 316 1HD1 ILE 41 2HD1 ILE 41 -24.369 4.888 4.888 317 2HD1 ILE 41 1HD1 ILE 41 -22.866 5.407 5.407 318 3HD1 ILE 41 3HD1 ILE 41 -23.201 3.688 3.688 319 H GLY 42 HN GLY 42 -26.012 1.232 1.232 320 1HA GLY 42 2HA GLY 42 -23.947 0.679 0.679 321 2HA GLY 42 1HA GLY 42 -25.307 -0.407 -0.407 322 H TRP 43 HN TRP 43 -22.133 0.331 0.331 323 HA TRP 43 HA TRP 43 -22.330 -1.233 -1.233 324 1HB TRP 43 2HB TRP 43 -20.022 -0.356 -0.356 325 2HB TRP 43 1HB TRP 43 -21.274 0.878 0.878 326 HD1 TRP 43 1HD TRP 43 -21.342 2.343 2.343 327 HE1 TRP 43 1HE TRP 43 -19.400 3.059 3.059 328 HE3 TRP 43 3HE TRP 43 -17.803 -0.997 -0.997 329 HZ2 TRP 43 2HZ TRP 43 -16.722 2.308 2.308 330 HZ3 TRP 43 3HZ TRP 43 -15.576 -0.932 -0.932 331 HH2 TRP 43 2HH TRP 43 -15.048 0.687 0.687 332 H ALA 44 HN ALA 44 -20.700 -2.794 -2.794 333 HA ALA 44 HA ALA 44 -19.112 -3.889 -3.889 334 1HB ALA 44 1HB ALA 44 -21.326 -5.498 -5.498 335 2HB ALA 44 3HB ALA 44 -20.091 -6.138 -6.138 336 3HB ALA 44 2HB ALA 44 -21.260 -4.959 -4.959 337 H ILE 45 HN ILE 45 -17.629 -5.547 -5.547 338 HA ILE 45 HA ILE 45 -17.221 -5.432 -5.432 339 HB ILE 45 HB ILE 45 -15.012 -5.652 -5.652 340 1HG1 ILE 45 2HG1 ILE 45 -14.570 -3.227 -3.227 341 2HG1 ILE 45 1HG1 ILE 45 -16.248 -3.240 -3.240 342 1HG2 ILE 45 3HG2 ILE 45 -15.180 -5.740 -5.740 343 2HG2 ILE 45 2HG2 ILE 45 -13.985 -4.590 -4.590 344 3HG2 ILE 45 1HG2 ILE 45 -13.897 -6.286 -6.286 345 1HD1 ILE 45 2HD1 ILE 45 -16.275 -4.219 -4.219 346 2HD1 ILE 45 1HD1 ILE 45 -15.179 -2.838 -2.838 347 3HD1 ILE 45 3HD1 ILE 45 -16.836 -2.649 -2.649 348 H LYS 46 HN LYS 46 -16.605 -7.263 -7.263 349 HA LYS 46 HA LYS 46 -16.075 -9.694 -9.694 350 1HB LYS 46 2HB LYS 46 -18.190 -9.650 -9.650 351 2HB LYS 46 1HB LYS 46 -17.743 -10.999 -10.999 352 1HG LYS 46 2HG LYS 46 -18.442 -9.099 -9.099 353 2HG LYS 46 1HG LYS 46 -19.556 -8.763 -8.763 354 1HD LYS 46 2HD LYS 46 -20.793 -10.358 -10.358 355 2HD LYS 46 1HD LYS 46 -19.757 -11.439 -11.439 356 1HE LYS 46 2HE LYS 46 -19.680 -12.313 -12.313 357 2HE LYS 46 1HE LYS 46 -18.193 -11.377 -11.377 358 1HZ LYS 46 3HZ LYS 46 -19.792 -9.524 -9.524 359 2HZ LYS 46 2HZ LYS 46 -20.556 -10.883 -10.883 360 3HZ LYS 46 1HZ LYS 46 -18.926 -10.586 -10.586 361 H THR 47 HN THR 47 -14.448 -10.764 -10.764 362 HA THR 47 HA THR 47 -13.650 -10.091 -10.091 363 HB THR 47 HB THR 47 -11.453 -11.079 -11.079 364 HG1 THR 47 1HG THR 47 -12.451 -12.370 -12.370 365 1HG2 THR 47 1HG2 THR 47 -12.413 -8.599 -8.599 366 2HG2 THR 47 3HG2 THR 47 -11.761 -9.199 -9.199 367 3HG2 THR 47 2HG2 THR 47 -10.732 -9.122 -9.122 368 H THR 48 HN THR 48 -12.814 -11.778 -11.778 369 HA THR 48 HA THR 48 -14.528 -13.846 -13.846 370 HB THR 48 HB THR 48 -12.135 -14.895 -14.895 371 HG1 THR 48 1HG THR 48 -10.752 -13.310 -13.310 372 1HG2 THR 48 3HG2 THR 48 -14.273 -14.195 -14.195 373 2HG2 THR 48 2HG2 THR 48 -13.406 -12.683 -12.683 374 3HG2 THR 48 1HG2 THR 48 -12.723 -14.204 -14.204 375 H ASN 49 HN ASN 49 -11.818 -13.810 -13.810 376 HA ASN 49 HA ASN 49 -12.725 -16.380 -16.380 377 1HB ASN 49 2HB ASN 49 -10.433 -16.187 -16.187 378 2HB ASN 49 1HB ASN 49 -9.820 -16.052 -16.052 379 1HD2 ASN 49 2HD2 ASN 49 -9.879 -19.462 -19.462 380 2HD2 ASN 49 1HD2 ASN 49 -9.124 -17.931 -17.931 381 H MET 50 HN MET 50 -13.082 -16.235 -16.235 382 HA MET 50 HA MET 50 -12.181 -13.905 -13.905 383 1HB MET 50 2HB MET 50 -14.286 -15.887 -15.887 384 2HB MET 50 1HB MET 50 -13.465 -15.598 -15.598 385 1HG MET 50 2HG MET 50 -14.000 -13.106 -13.106 386 2HG MET 50 1HG MET 50 -15.476 -14.061 -14.061 387 1HE MET 50 3HE MET 50 -12.393 -12.712 -12.712 388 2HE MET 50 2HE MET 50 -13.533 -11.392 -11.392 389 3HE MET 50 1HE MET 50 -13.212 -11.973 -11.973 390 H ARG 51 HN ARG 51 -10.538 -16.536 -16.536 391 HA ARG 51 HA ARG 51 -9.440 -17.069 -17.069 392 1HB ARG 51 2HB ARG 51 -8.551 -18.495 -18.495 393 2HB ARG 51 1HB ARG 51 -8.603 -19.078 -19.078 394 1HG ARG 51 2HG ARG 51 -10.926 -18.686 -18.686 395 2HG ARG 51 1HG ARG 51 -10.289 -20.209 -20.209 396 1HD ARG 51 2HD ARG 51 -11.041 -18.301 -18.301 397 2HD ARG 51 1HD ARG 51 -12.385 -18.805 -18.805 398 HE ARG 51 HE ARG 51 -12.226 -20.935 -20.935 399 1HH1 ARG 51 1HH2 ARG 51 -9.495 -19.030 -19.030 400 2HH1 ARG 51 2HH2 ARG 51 -8.977 -20.192 -20.192 401 1HH2 ARG 51 1HH1 ARG 51 -11.546 -22.462 -22.462 402 2HH2 ARG 51 2HH1 ARG 51 -10.141 -22.139 -22.139 403 H ARG 52 HN ARG 52 -8.395 -16.165 -16.165 404 HA ARG 52 HA ARG 52 -5.716 -15.564 -15.564 405 1HB ARG 52 2HB ARG 52 -6.981 -14.929 -14.929 406 2HB ARG 52 1HB ARG 52 -5.264 -14.982 -14.982 407 1HG ARG 52 2HG ARG 52 -5.293 -17.338 -17.338 408 2HG ARG 52 1HG ARG 52 -7.057 -17.383 -17.383 409 1HD ARG 52 2HD ARG 52 -6.485 -16.125 -16.125 410 2HD ARG 52 1HD ARG 52 -5.164 -17.283 -17.283 411 HE ARG 52 HE ARG 52 -7.849 -17.868 -17.868 412 1HH1 ARG 52 1HH2 ARG 52 -5.158 -19.091 -19.091 413 2HH1 ARG 52 2HH2 ARG 52 -5.656 -20.745 -20.745 414 1HH2 ARG 52 1HH1 ARG 52 -8.519 -20.043 -20.043 415 2HH2 ARG 52 2HH1 ARG 52 -7.567 -21.287 -21.287 416 H LEU 53 HN LEU 53 -8.405 -13.679 -13.679 417 HA LEU 53 HA LEU 53 -7.135 -11.202 -11.202 418 1HB LEU 53 2HB LEU 53 -9.804 -11.443 -11.443 419 2HB LEU 53 1HB LEU 53 -8.716 -10.068 -10.068 420 HG LEU 53 HG LEU 53 -8.123 -12.671 -12.671 421 1HD1 LEU 53 2HD1 LEU 53 -9.519 -10.198 -10.198 422 2HD1 LEU 53 1HD1 LEU 53 -8.442 -11.004 -11.004 423 3HD1 LEU 53 3HD1 LEU 53 -9.807 -11.879 -11.879 424 1HD2 LEU 53 2HD2 LEU 53 -6.172 -11.316 -11.316 425 2HD2 LEU 53 1HD2 LEU 53 -6.303 -11.485 -11.485 426 3HD2 LEU 53 3HD2 LEU 53 -6.788 -9.979 -9.979 427 H SER 54 HN SER 54 -8.267 -9.626 -9.626 428 HA SER 54 HA SER 54 -10.604 -10.453 -10.453 429 1HB SER 54 2HB SER 54 -7.995 -10.900 -10.900 430 2HB SER 54 1HB SER 54 -8.768 -9.622 -9.622 431 HG SER 54 HG SER 54 -10.265 -10.993 -10.993 432 H VAL 55 HN VAL 55 -11.583 -8.747 -8.747 433 HA VAL 55 HA VAL 55 -10.554 -6.077 -6.077 434 HB VAL 55 HB VAL 55 -13.127 -5.521 -5.521 435 1HG1 VAL 55 2HG1 VAL 55 -11.447 -5.492 -5.492 436 2HG1 VAL 55 1HG1 VAL 55 -12.618 -6.682 -6.682 437 3HG1 VAL 55 3HG1 VAL 55 -13.153 -5.063 -5.063 438 1HG2 VAL 55 2HG2 VAL 55 -13.681 -7.899 -7.899 439 2HG2 VAL 55 1HG2 VAL 55 -14.605 -7.208 -7.208 440 3HG2 VAL 55 3HG2 VAL 55 -13.255 -8.293 -8.293 441 H ASP 56 HN ASP 56 -10.959 -4.382 -4.382 442 HA ASP 56 HA ASP 56 -12.148 -4.803 -4.803 443 1HB ASP 56 2HB ASP 56 -9.577 -5.894 -5.894 444 2HB ASP 56 1HB ASP 56 -9.367 -4.386 -4.386 445 HA PRO 57 HA PRO 57 -13.339 -3.578 -3.578 446 1HB PRO 57 2HB PRO 57 -15.285 -1.759 -1.759 447 2HB PRO 57 1HB PRO 57 -14.149 -1.589 -1.589 448 1HG PRO 57 2HG PRO 57 -14.083 -0.315 -0.315 449 2HG PRO 57 1HG PRO 57 -13.763 0.413 0.413 450 1HD PRO 57 2HD PRO 57 -11.778 -0.345 -0.345 451 2HD PRO 57 1HD PRO 57 -11.620 -0.437 -0.437 452 HA PRO 58 HA PRO 58 -14.930 -5.405 -5.405 453 1HB PRO 58 2HB PRO 58 -16.675 -7.133 -7.133 454 2HB PRO 58 1HB PRO 58 -14.926 -7.360 -7.360 455 1HG PRO 58 2HG PRO 58 -16.848 -6.236 -6.236 456 2HG PRO 58 1HG PRO 58 -15.517 -7.382 -7.382 457 1HD PRO 58 2HD PRO 58 -15.327 -4.711 -4.711 458 2HD PRO 58 1HD PRO 58 -13.939 -5.717 -5.717 459 H CYS 59 HN CYS 59 -16.685 -3.383 -3.383 460 HA CYS 59 HA CYS 59 -18.513 -2.601 -2.601 461 1HB CYS 59 2HB CYS 59 -20.603 -3.343 -3.343 462 2HB CYS 59 1HB CYS 59 -19.762 -4.567 -4.567 463 HG CYS 59 HG CYS 59 -18.964 -5.682 -5.682 464 H GLY 60 HN GLY 60 -20.276 -1.133 -1.133 465 1HA GLY 60 2HA GLY 60 -20.128 -0.131 -0.131 466 2HA GLY 60 1HA GLY 60 -18.972 0.784 0.784 467 H VAL 61 HN VAL 61 -20.927 2.194 2.194 468 HA VAL 61 HA VAL 61 -22.994 2.568 2.568 469 HB VAL 61 HB VAL 61 -22.954 3.929 3.929 470 1HG1 VAL 61 2HG1 VAL 61 -25.136 3.250 3.250 471 2HG1 VAL 61 1HG1 VAL 61 -25.405 3.960 3.960 472 3HG1 VAL 61 3HG1 VAL 61 -24.499 4.852 4.852 473 1HG2 VAL 61 2HG2 VAL 61 -23.769 1.133 1.133 474 2HG2 VAL 61 1HG2 VAL 61 -22.895 1.736 1.736 475 3HG2 VAL 61 3HG2 VAL 61 -24.629 2.023 2.023 476 H LEU 62 HN LEU 62 -22.741 4.146 4.146 477 HA LEU 62 HA LEU 62 -20.800 6.262 6.262 478 1HB LEU 62 2HB LEU 62 -21.267 4.774 4.774 479 2HB LEU 62 1HB LEU 62 -22.204 6.210 6.210 480 HG LEU 62 HG LEU 62 -20.263 7.609 7.609 481 1HD1 LEU 62 1HD1 LEU 62 -19.094 5.242 5.242 482 2HD1 LEU 62 3HD1 LEU 62 -18.020 6.198 6.198 483 3HD1 LEU 62 2HD1 LEU 62 -18.865 6.960 6.960 484 1HD2 LEU 62 1HD2 LEU 62 -20.632 5.675 5.675 485 2HD2 LEU 62 3HD2 LEU 62 -19.535 7.051 7.051 486 3HD2 LEU 62 2HD2 LEU 62 -18.933 5.487 5.487 487 H ASP 63 HN ASP 63 -21.317 8.490 8.490 488 HA ASP 63 HA ASP 63 -24.140 9.127 9.127 489 1HB ASP 63 2HB ASP 63 -21.625 10.143 10.143 490 2HB ASP 63 1HB ASP 63 -22.749 11.409 11.409 491 HA PRO 64 HA PRO 64 -24.706 11.527 11.527 492 1HB PRO 64 2HB PRO 64 -25.109 14.108 14.108 493 2HB PRO 64 1HB PRO 64 -26.356 12.879 12.879 494 1HG PRO 64 2HG PRO 64 -24.880 13.656 13.656 495 2HG PRO 64 1HG PRO 64 -26.574 13.166 13.166 496 1HD PRO 64 2HD PRO 64 -24.751 11.487 11.487 497 2HD PRO 64 1HD PRO 64 -26.039 10.906 10.906 498 H LYS 65 HN LYS 65 -22.881 11.672 11.672 499 HA LYS 65 HA LYS 65 -20.975 12.523 12.523 500 1HB LYS 65 2HB LYS 65 -22.433 14.649 14.649 501 2HB LYS 65 1HB LYS 65 -21.371 15.033 15.033 502 1HG LYS 65 2HG LYS 65 -19.449 15.028 15.028 503 2HG LYS 65 1HG LYS 65 -20.453 14.527 14.527 504 1HD LYS 65 2HD LYS 65 -21.229 16.992 16.992 505 2HD LYS 65 1HD LYS 65 -19.813 17.069 17.069 506 1HE LYS 65 2HE LYS 65 -21.461 17.637 17.637 507 2HE LYS 65 1HE LYS 65 -21.415 15.889 15.889 508 1HZ LYS 65 1HZ LYS 65 -23.216 16.887 16.887 509 2HZ LYS 65 3HZ LYS 65 -23.650 17.222 17.222 510 3HZ LYS 65 2HZ LYS 65 -23.427 15.622 15.622 511 H GLU 66 HN GLU 66 -20.569 10.877 10.877 512 HA GLU 66 HA GLU 66 -18.427 12.188 12.188 513 1HB GLU 66 2HB GLU 66 -20.444 10.143 10.143 514 2HB GLU 66 1HB GLU 66 -18.825 9.831 9.831 515 1HG GLU 66 2HG GLU 66 -19.172 12.462 12.462 516 2HG GLU 66 1HG GLU 66 -20.800 11.816 11.816 517 H LYS 67 HN LYS 67 -16.463 11.026 11.026 518 HA LYS 67 HA LYS 67 -15.945 8.966 8.966 519 1HB LYS 67 2HB LYS 67 -14.158 11.209 11.209 520 2HB LYS 67 1HB LYS 67 -13.588 9.861 9.861 521 1HG LYS 67 2HG LYS 67 -14.436 10.711 10.711 522 2HG LYS 67 1HG LYS 67 -15.936 11.209 11.209 523 1HD LYS 67 2HD LYS 67 -14.970 13.234 13.234 524 2HD LYS 67 1HD LYS 67 -14.484 13.055 13.055 525 1HE LYS 67 2HE LYS 67 -12.349 12.003 12.003 526 2HE LYS 67 1HE LYS 67 -12.839 12.572 12.572 527 1HZ LYS 67 3HZ LYS 67 -13.103 14.788 14.788 528 2HZ LYS 67 2HZ LYS 67 -11.766 14.051 14.051 529 3HZ LYS 67 1HZ LYS 67 -11.735 14.411 14.411 530 H VAL 68 HN VAL 68 -14.716 7.210 7.210 531 HA VAL 68 HA VAL 68 -13.609 7.084 7.084 532 HB VAL 68 HB VAL 68 -14.652 4.905 4.905 533 1HG1 VAL 68 1HG1 VAL 68 -16.612 7.122 7.122 534 2HG1 VAL 68 3HG1 VAL 68 -16.936 5.719 5.719 535 3HG1 VAL 68 2HG1 VAL 68 -15.700 6.885 6.885 536 1HG2 VAL 68 2HG2 VAL 68 -16.120 5.446 5.446 537 2HG2 VAL 68 1HG2 VAL 68 -15.044 4.096 4.096 538 3HG2 VAL 68 3HG2 VAL 68 -16.604 4.221 4.221 539 H LEU 69 HN LEU 69 -11.995 5.506 5.506 540 HA LEU 69 HA LEU 69 -10.801 4.611 4.611 541 1HB LEU 69 2HB LEU 69 -9.623 5.915 5.915 542 2HB LEU 69 1HB LEU 69 -9.449 4.305 4.305 543 HG LEU 69 HG LEU 69 -8.210 3.587 3.587 544 1HD1 LEU 69 1HD1 LEU 69 -8.815 6.371 6.371 545 2HD1 LEU 69 3HD1 LEU 69 -7.453 5.447 5.447 546 3HD1 LEU 69 2HD1 LEU 69 -9.098 4.839 4.839 547 1HD2 LEU 69 2HD2 LEU 69 -7.338 5.854 5.854 548 2HD2 LEU 69 1HD2 LEU 69 -6.635 4.248 4.248 549 3HD2 LEU 69 3HD2 LEU 69 -6.349 5.494 5.494 550 H MET 70 HN MET 70 -9.987 2.468 2.468 551 HA MET 70 HA MET 70 -11.126 0.473 0.473 552 1HB MET 70 2HB MET 70 -12.590 0.742 0.742 553 2HB MET 70 1HB MET 70 -11.230 0.268 0.268 554 1HG MET 70 2HG MET 70 -11.315 -1.784 -1.784 555 2HG MET 70 1HG MET 70 -13.022 -1.363 -1.363 556 1HE MET 70 2HE MET 70 -12.721 -0.035 -0.035 557 2HE MET 70 1HE MET 70 -12.949 -1.275 -1.275 558 3HE MET 70 3HE MET 70 -14.128 -1.099 -1.099 559 H ALA 71 HN ALA 71 -9.987 -1.478 -1.478 560 HA ALA 71 HA ALA 71 -7.267 -1.373 -1.373 561 1HB ALA 71 3HB ALA 71 -7.750 -1.339 -1.339 562 2HB ALA 71 2HB ALA 71 -7.946 -3.078 -3.078 563 3HB ALA 71 1HB ALA 71 -6.421 -2.301 -2.301 564 H VAL 72 HN VAL 72 -6.619 -2.945 -2.945 565 HA VAL 72 HA VAL 72 -8.323 -5.339 -5.339 566 HB VAL 72 HB VAL 72 -6.649 -4.091 -4.091 567 1HG1 VAL 72 2HG1 VAL 72 -6.999 -6.519 -6.519 568 2HG1 VAL 72 1HG1 VAL 72 -8.741 -6.261 -6.261 569 3HG1 VAL 72 3HG1 VAL 72 -7.813 -5.619 -5.619 570 1HG2 VAL 72 2HG2 VAL 72 -8.725 -2.809 -2.809 571 2HG2 VAL 72 1HG2 VAL 72 -8.535 -3.053 -3.053 572 3HG2 VAL 72 3HG2 VAL 72 -9.642 -4.074 -4.074 573 H SER 73 HN SER 73 -7.220 -6.771 -6.771 574 HA SER 73 HA SER 73 -4.354 -7.018 -7.018 575 1HB SER 73 2HB SER 73 -5.087 -9.218 -9.218 576 2HB SER 73 1HB SER 73 -4.986 -7.623 -7.623 577 HG SER 73 HG SER 73 -7.070 -7.634 -7.634 578 H CYS 74 HN CYS 74 -3.232 -8.230 -8.230 579 HA CYS 74 HA CYS 74 -4.684 -10.231 -10.231 580 1HB CYS 74 2HB CYS 74 -3.650 -8.330 -8.330 581 2HB CYS 74 1HB CYS 74 -2.073 -8.858 -8.858 582 HG CYS 74 HG CYS 74 -2.159 -10.860 -10.860 583 H ASP 75 HN ASP 75 -3.783 -12.268 -12.268 584 HA ASP 75 HA ASP 75 -1.834 -13.079 -13.079 585 1HB ASP 75 2HB ASP 75 -4.067 -14.452 -14.452 586 2HB ASP 75 1HB ASP 75 -2.689 -15.429 -15.429 587 H THR 76 HN THR 76 0.041 -14.153 -14.153 588 HA THR 76 HA THR 76 1.331 -13.560 -13.560 589 HB THR 76 HB THR 76 3.110 -14.873 -14.873 590 HG1 THR 76 1HG THR 76 1.239 -16.368 -16.368 591 1HG2 THR 76 1HG2 THR 76 2.305 -13.082 -13.082 592 2HG2 THR 76 3HG2 THR 76 1.763 -14.445 -14.445 593 3HG2 THR 76 2HG2 THR 76 3.468 -14.284 -14.284 594 H PHE 77 HN PHE 77 1.899 -14.793 -14.793 595 HA PHE 77 HA PHE 77 0.844 -17.425 -17.425 596 1HB PHE 77 2HB PHE 77 -0.737 -16.950 -16.950 597 2HB PHE 77 1HB PHE 77 -1.155 -15.928 -15.928 598 HD1 PHE 77 2HD PHE 77 -0.699 -13.515 -13.515 599 HD2 PHE 77 1HD PHE 77 -0.016 -16.020 -16.020 600 HE1 PHE 77 2HE PHE 77 -0.612 -11.530 -11.530 601 HE2 PHE 77 1HE PHE 77 0.073 -14.040 -14.040 602 HZ PHE 77 HZ PHE 77 -0.224 -11.791 -11.791 603 H ASN 78 HN ASN 78 0.838 -17.467 -17.467 604 HA ASN 78 HA ASN 78 3.573 -16.610 -16.610 605 1HB ASN 78 2HB ASN 78 2.345 -19.167 -19.167 606 2HB ASN 78 1HB ASN 78 4.036 -18.675 -18.675 607 1HD2 ASN 78 2HD2 ASN 78 2.435 -20.392 -20.392 608 2HD2 ASN 78 1HD2 ASN 78 1.440 -19.837 -19.837 609 H ALA 79 HN ALA 79 3.459 -15.124 -15.124 610 HA ALA 79 HA ALA 79 1.252 -15.190 -15.190 611 1HB ALA 79 1HB ALA 79 1.740 -13.098 -13.098 612 2HB ALA 79 3HB ALA 79 3.299 -13.024 -13.024 613 3HB ALA 79 2HB ALA 79 1.807 -12.912 -12.912 614 H ALA 80 HN ALA 80 3.739 -16.932 -16.932 615 HA ALA 80 HA ALA 80 4.812 -16.134 -16.134 616 1HB ALA 80 2HB ALA 80 6.168 -16.822 -16.822 617 2HB ALA 80 1HB ALA 80 6.160 -18.337 -18.337 618 3HB ALA 80 3HB ALA 80 6.825 -16.874 -16.874 619 H THR 81 HN THR 81 2.981 -18.546 -18.546 620 HA THR 81 HA THR 81 2.670 -20.003 -20.003 621 HB THR 81 HB THR 81 2.811 -22.153 -22.153 622 HG1 THR 81 1HG THR 81 3.146 -22.284 -22.284 623 1HG2 THR 81 1HG2 THR 81 4.863 -21.099 -21.099 624 2HG2 THR 81 3HG2 THR 81 5.267 -20.560 -20.560 625 3HG2 THR 81 2HG2 THR 81 5.147 -22.286 -22.286 626 H GLU 82 HN GLU 82 0.908 -18.115 -18.115 627 HA GLU 82 HA GLU 82 -1.456 -19.768 -19.768 628 1HB GLU 82 2HB GLU 82 -0.463 -17.933 -17.933 629 2HB GLU 82 1HB GLU 82 -2.186 -18.221 -18.221 630 1HG GLU 82 2HG GLU 82 -1.761 -20.647 -20.647 631 2HG GLU 82 1HG GLU 82 -0.067 -20.281 -20.281 632 H ASP 83 HN ASP 83 -3.339 -18.756 -18.756 633 HA ASP 83 HA ASP 83 -3.085 -16.674 -16.674 634 1HB ASP 83 2HB ASP 83 -5.601 -17.614 -17.614 635 2HB ASP 83 1HB ASP 83 -5.526 -16.699 -16.699 636 H LEU 84 HN LEU 84 -3.722 -14.515 -14.515 637 HA LEU 84 HA LEU 84 -4.244 -13.365 -13.365 638 1HB LEU 84 2HB LEU 84 -2.510 -11.978 -11.978 639 2HB LEU 84 1HB LEU 84 -2.677 -11.641 -11.641 640 HG LEU 84 HG LEU 84 -1.416 -14.163 -14.163 641 1HD1 LEU 84 2HD1 LEU 84 -0.293 -11.899 -11.899 642 2HD1 LEU 84 1HD1 LEU 84 0.142 -11.872 -11.872 643 3HD1 LEU 84 3HD1 LEU 84 0.680 -13.201 -13.201 644 1HD2 LEU 84 2HD2 LEU 84 -2.330 -14.172 -14.172 645 2HD2 LEU 84 1HD2 LEU 84 -0.590 -14.442 -14.442 646 3HD2 LEU 84 3HD2 LEU 84 -1.213 -12.865 -12.865 647 H ASN 85 HN ASN 85 -6.435 -13.689 -13.689 648 HA ASN 85 HA ASN 85 -7.280 -11.082 -11.082 649 1HB ASN 85 2HB ASN 85 -6.405 -12.603 -12.603 650 2HB ASN 85 1HB ASN 85 -8.068 -13.177 -13.177 651 1HD2 ASN 85 2HD2 ASN 85 -7.634 -10.171 -10.171 652 2HD2 ASN 85 1HD2 ASN 85 -6.709 -11.618 -11.618 653 H ASN 86 HN ASN 86 -7.813 -13.087 -13.087 654 HA ASN 86 HA ASN 86 -10.723 -13.277 -13.277 655 1HB ASN 86 2HB ASN 86 -8.800 -15.378 -15.378 656 2HB ASN 86 1HB ASN 86 -10.399 -15.355 -15.355 657 1HD2 ASN 86 2HD2 ASN 86 -9.855 -16.835 -16.835 658 2HD2 ASN 86 1HD2 ASN 86 -8.566 -16.312 -16.312 659 H ASP 87 HN ASP 87 -8.447 -11.703 -11.703 660 HA ASP 87 HA ASP 87 -9.787 -11.887 -11.887 661 1HB ASP 87 2HB ASP 87 -7.086 -11.177 -11.177 662 2HB ASP 87 1HB ASP 87 -7.730 -10.095 -10.095 663 H ARG 88 HN ARG 88 -11.473 -10.565 -10.565 664 HA ARG 88 HA ARG 88 -11.148 -7.745 -7.745 665 1HB ARG 88 2HB ARG 88 -13.406 -7.686 -7.686 666 2HB ARG 88 1HB ARG 88 -12.198 -8.567 -8.567 667 1HG ARG 88 2HG ARG 88 -13.122 -10.673 -10.673 668 2HG ARG 88 1HG ARG 88 -14.468 -9.676 -9.676 669 1HD ARG 88 2HD ARG 88 -14.483 -8.957 -8.957 670 2HD ARG 88 1HD ARG 88 -13.747 -10.548 -10.548 671 HE ARG 88 HE ARG 88 -16.474 -9.968 -9.968 672 1HH1 ARG 88 1HH2 ARG 88 -13.911 -12.323 -12.323 673 2HH1 ARG 88 2HH2 ARG 88 -14.983 -13.676 -13.676 674 1HH2 ARG 88 1HH1 ARG 88 -17.895 -11.741 -11.741 675 2HH2 ARG 88 2HH1 ARG 88 -17.248 -13.345 -13.345 676 H ILE 89 HN ILE 89 -12.008 -6.434 -6.434 677 HA ILE 89 HA ILE 89 -13.475 -7.655 -7.655 678 HB ILE 89 HB ILE 89 -12.292 -4.884 -4.884 679 1HG1 ILE 89 2HG1 ILE 89 -11.306 -7.326 -7.326 680 2HG1 ILE 89 1HG1 ILE 89 -10.587 -6.656 -6.656 681 1HG2 ILE 89 3HG2 ILE 89 -14.221 -5.030 -5.030 682 2HG2 ILE 89 2HG2 ILE 89 -13.377 -6.288 -6.288 683 3HG2 ILE 89 1HG2 ILE 89 -12.711 -4.658 -4.658 684 1HD1 ILE 89 2HD1 ILE 89 -10.870 -4.814 -4.814 685 2HD1 ILE 89 1HD1 ILE 89 -9.696 -6.119 -6.119 686 3HD1 ILE 89 3HD1 ILE 89 -9.562 -4.986 -4.986 687 H THR 90 HN THR 90 -15.579 -7.312 -7.312 688 HA THR 90 HA THR 90 -16.980 -5.422 -5.422 689 HB THR 90 HB THR 90 -18.004 -7.854 -7.854 690 HG1 THR 90 1HG THR 90 -18.143 -8.744 -8.744 691 1HG2 THR 90 1HG2 THR 90 -19.612 -5.831 -5.831 692 2HG2 THR 90 3HG2 THR 90 -19.597 -6.480 -6.480 693 3HG2 THR 90 2HG2 THR 90 -20.123 -7.493 -7.493 694 H ILE 91 HN ILE 91 -17.876 -3.665 -3.665 695 HA ILE 91 HA ILE 91 -18.266 -3.539 -3.539 696 HB ILE 91 HB ILE 91 -17.763 -1.214 -1.214 697 1HG1 ILE 91 2HG1 ILE 91 -15.556 -1.189 -1.189 698 2HG1 ILE 91 1HG1 ILE 91 -15.922 -2.890 -2.890 699 1HG2 ILE 91 1HG2 ILE 91 -18.749 -1.384 -1.384 700 2HG2 ILE 91 3HG2 ILE 91 -17.152 -0.634 -0.634 701 3HG2 ILE 91 2HG2 ILE 91 -18.428 0.053 0.053 702 1HD1 ILE 91 3HD1 ILE 91 -15.856 -1.767 -1.767 703 2HD1 ILE 91 2HD1 ILE 91 -14.374 -2.251 -2.251 704 3HD1 ILE 91 1HD1 ILE 91 -15.649 -3.434 -3.434 705 H GLU 92 HN GLU 92 -20.331 -3.576 -3.576 706 HA GLU 92 HA GLU 92 -22.316 -2.342 -2.342 707 1HB GLU 92 2HB GLU 92 -22.822 -4.605 -4.605 708 2HB GLU 92 1HB GLU 92 -23.936 -3.965 -3.965 709 1HG GLU 92 2HG GLU 92 -23.162 -5.353 -5.353 710 2HG GLU 92 1HG GLU 92 -21.513 -4.783 -4.783 711 H TRP 93 HN TRP 93 -24.218 -1.449 -1.449 712 HA TRP 93 HA TRP 93 -24.089 -0.874 -0.874 713 1HB TRP 93 2HB TRP 93 -23.964 1.529 1.529 714 2HB TRP 93 1HB TRP 93 -22.570 0.826 0.826 715 HD1 TRP 93 1HD TRP 93 -25.312 3.247 3.247 716 HE1 TRP 93 1HE TRP 93 -25.398 3.972 3.972 717 HE3 TRP 93 3HE TRP 93 -22.225 -0.306 -0.306 718 HZ2 TRP 93 2HZ TRP 93 -24.306 3.144 3.144 719 HZ3 TRP 93 3HZ TRP 93 -21.800 -0.270 -0.270 720 HH2 TRP 93 2HH TRP 93 -22.819 1.419 1.419 721 H THR 94 HN THR 94 -26.084 -0.697 -0.697 722 HA THR 94 HA THR 94 -28.285 -0.017 -0.017 723 HB THR 94 HB THR 94 -28.542 -2.331 -2.331 724 HG1 THR 94 1HG THR 94 -30.323 -2.531 -2.531 725 1HG2 THR 94 3HG2 THR 94 -27.322 -1.946 -1.946 726 2HG2 THR 94 2HG2 THR 94 -28.683 -3.068 -3.068 727 3HG2 THR 94 1HG2 THR 94 -27.315 -3.352 -3.352 728 H ASN 95 HN ASN 95 -29.891 1.270 1.270 729 HA ASN 95 HA ASN 95 -29.343 3.042 3.042 730 1HB ASN 95 2HB ASN 95 -31.831 3.543 3.543 731 2HB ASN 95 1HB ASN 95 -30.978 3.657 3.657 732 1HD2 ASN 95 2HD2 ASN 95 -32.703 1.048 1.048 733 2HD2 ASN 95 1HD2 ASN 95 -31.343 2.112 2.112 734 H THR 96 HN THR 96 -29.740 3.127 3.127 735 HA THR 96 HA THR 96 -30.355 0.647 0.647 736 HB THR 96 HB THR 96 -29.867 1.885 1.885 737 HG1 THR 96 1HG THR 96 -30.618 3.899 3.899 738 1HG2 THR 96 1HG2 THR 96 -27.965 1.040 1.040 739 2HG2 THR 96 3HG2 THR 96 -27.847 2.628 2.628 740 3HG2 THR 96 2HG2 THR 96 -27.579 2.459 2.459 741 HA PRO 97 HA PRO 97 -34.677 1.059 1.059 742 1HB PRO 97 2HB PRO 97 -34.043 0.493 0.493 743 2HB PRO 97 1HB PRO 97 -35.184 -0.315 -0.315 744 1HG PRO 97 2HG PRO 97 -32.865 -1.463 -1.463 745 2HG PRO 97 1HG PRO 97 -33.529 -1.588 -1.588 746 1HD PRO 97 2HD PRO 97 -31.298 0.113 0.113 747 2HD PRO 97 1HD PRO 97 -31.472 -0.702 -0.702 748 H ASP 98 HN ASP 98 -36.249 2.296 2.296 749 HA ASP 98 HA ASP 98 -35.654 4.975 4.975 750 1HB ASP 98 2HB ASP 98 -37.811 3.422 3.422 751 2HB ASP 98 1HB ASP 98 -37.767 5.176 5.176 752 H GLY 99 HN GLY 99 -34.118 5.814 5.814 753 1HA GLY 99 2HA GLY 99 -32.854 6.286 6.286 754 2HA GLY 99 1HA GLY 99 -34.353 6.051 6.051 755 H ALA 100 HN ALA 100 -32.297 3.776 3.776 756 HA ALA 100 HA ALA 100 -32.583 1.714 1.714 757 1HB ALA 100 1HB ALA 100 -31.301 2.073 2.073 758 2HB ALA 100 3HB ALA 100 -30.211 1.241 1.241 759 3HB ALA 100 2HB ALA 100 -31.816 0.582 0.582 760 H ALA 101 HN ALA 101 -30.537 0.630 0.630 761 HA ALA 101 HA ALA 101 -29.430 2.440 2.440 762 1HB ALA 101 3HB ALA 101 -29.075 -0.479 -0.479 763 2HB ALA 101 2HB ALA 101 -28.049 0.353 0.353 764 3HB ALA 101 1HB ALA 101 -29.797 0.305 0.305 765 H LYS 102 HN LYS 102 -27.098 2.537 2.537 766 HA LYS 102 HA LYS 102 -25.665 3.187 3.187 767 1HB LYS 102 2HB LYS 102 -25.626 4.842 4.842 768 2HB LYS 102 1HB LYS 102 -24.975 3.658 3.658 769 1HG LYS 102 2HG LYS 102 -22.915 4.197 4.197 770 2HG LYS 102 1HG LYS 102 -23.263 3.780 3.780 771 1HD LYS 102 2HD LYS 102 -22.934 5.945 5.945 772 2HD LYS 102 1HD LYS 102 -24.503 6.220 6.220 773 1HE LYS 102 2HE LYS 102 -23.155 7.694 7.694 774 2HE LYS 102 1HE LYS 102 -23.119 6.279 6.279 775 1HZ LYS 102 2HZ LYS 102 -21.029 5.670 5.670 776 2HZ LYS 102 1HZ LYS 102 -21.019 7.292 7.292 777 3HZ LYS 102 3HZ LYS 102 -20.909 6.893 6.893 778 H GLN 103 HN GLN 103 -25.640 0.842 0.842 779 HA GLN 103 HA GLN 103 -23.066 -0.195 -0.195 780 1HB GLN 103 2HB GLN 103 -23.570 -2.198 -2.198 781 2HB GLN 103 1HB GLN 103 -23.481 -0.668 -0.668 782 1HG GLN 103 2HG GLN 103 -26.099 -0.712 -0.712 783 2HG GLN 103 1HG GLN 103 -25.791 -2.447 -2.447 784 1HE2 GLN 103 2HE2 GLN 103 -25.128 -2.672 -2.672 785 2HE2 GLN 103 1HE2 GLN 103 -24.928 -3.414 -3.414 786 H PHE 104 HN PHE 104 -22.746 -1.759 -1.759 787 HA PHE 104 HA PHE 104 -24.636 -2.271 -2.271 788 1HB PHE 104 2HB PHE 104 -22.155 -2.597 -2.597 789 2HB PHE 104 1HB PHE 104 -22.329 -4.092 -4.092 790 HD1 PHE 104 1HD PHE 104 -23.628 -2.394 -2.394 791 HD2 PHE 104 2HD PHE 104 -22.681 -6.071 -6.071 792 HE1 PHE 104 1HE PHE 104 -24.115 -3.605 -3.605 793 HE2 PHE 104 2HE PHE 104 -23.166 -7.289 -7.289 794 HZ PHE 104 HZ PHE 104 -23.884 -6.056 -6.056 795 H ARG 105 HN ARG 105 -25.900 -4.080 -4.080 796 HA ARG 105 HA ARG 105 -26.304 -6.079 -6.079 797 1HB ARG 105 2HB ARG 105 -28.008 -3.977 -3.977 798 2HB ARG 105 1HB ARG 105 -28.774 -5.106 -5.106 799 1HG ARG 105 2HG ARG 105 -28.927 -6.774 -6.774 800 2HG ARG 105 1HG ARG 105 -28.049 -5.727 -5.727 801 1HD ARG 105 2HD ARG 105 -29.937 -4.032 -4.032 802 2HD ARG 105 1HD ARG 105 -30.824 -5.417 -5.417 803 HE ARG 105 HE ARG 105 -29.822 -6.066 -6.066 804 1HH1 ARG 105 1HH2 ARG 105 -32.181 -3.980 -3.980 805 2HH1 ARG 105 2HH2 ARG 105 -33.233 -3.972 -3.972 806 1HH2 ARG 105 1HH1 ARG 105 -31.199 -6.062 -6.062 807 2HH2 ARG 105 2HH1 ARG 105 -32.674 -5.155 -5.155 808 H ARG 106 HN ARG 106 -27.114 -8.065 -8.065 809 HA ARG 106 HA ARG 106 -26.441 -8.739 -8.739 810 1HB ARG 106 2HB ARG 106 -26.625 -10.134 -10.134 811 2HB ARG 106 1HB ARG 106 -28.073 -10.672 -10.672 812 1HG ARG 106 2HG ARG 106 -26.787 -12.151 -12.151 813 2HG ARG 106 1HG ARG 106 -26.091 -10.798 -10.798 814 1HD ARG 106 2HD ARG 106 -24.484 -10.540 -10.540 815 2HD ARG 106 1HD ARG 106 -25.055 -12.119 -12.119 816 HE ARG 106 HE ARG 106 -23.258 -11.583 -11.583 817 1HH1 ARG 106 1HH2 ARG 106 -25.666 -13.798 -13.798 818 2HH1 ARG 106 2HH2 ARG 106 -25.048 -15.151 -15.151 819 1HH2 ARG 106 1HH1 ARG 106 -22.436 -13.358 -13.358 820 2HH2 ARG 106 2HH1 ARG 106 -23.211 -14.901 -14.901 821 H GLU 107 HN GLU 107 -29.320 -7.637 -7.637 822 HA GLU 107 HA GLU 107 -31.189 -8.846 -8.846 823 1HB GLU 107 2HB GLU 107 -31.251 -6.956 -6.956 824 2HB GLU 107 1HB GLU 107 -32.403 -6.549 -6.549 825 1HG GLU 107 2HG GLU 107 -33.326 -8.821 -8.821 826 2HG GLU 107 1HG GLU 107 -32.199 -9.184 -9.184 827 H TRP 108 HN TRP 108 -28.900 -6.465 -6.465 828 HA TRP 108 HA TRP 108 -30.511 -4.915 -4.915 829 1HB TRP 108 2HB TRP 108 -27.568 -4.781 -4.781 830 2HB TRP 108 1HB TRP 108 -28.395 -3.671 -3.671 831 HD1 TRP 108 1HD TRP 108 -30.883 -4.124 -4.124 832 HE1 TRP 108 1HE TRP 108 -30.755 -2.346 -2.346 833 HE3 TRP 108 3HE TRP 108 -26.180 -2.338 -2.338 834 HZ2 TRP 108 2HZ TRP 108 -28.904 -0.440 -0.440 835 HZ3 TRP 108 3HZ TRP 108 -25.305 -0.537 -0.537 836 HH2 TRP 108 2HH TRP 108 -26.641 0.392 0.392 837 H PHE 109 HN PHE 109 -29.578 -7.901 -7.901 838 HA PHE 109 HA PHE 109 -29.207 -7.704 -7.704 839 1HB PHE 109 2HB PHE 109 -27.077 -8.758 -8.758 840 2HB PHE 109 1HB PHE 109 -27.226 -9.369 -9.369 841 HD1 PHE 109 1HD PHE 109 -26.546 -6.372 -6.372 842 HD2 PHE 109 2HD PHE 109 -26.499 -8.094 -8.094 843 HE1 PHE 109 1HE PHE 109 -25.228 -4.463 -4.463 844 HE2 PHE 109 2HE PHE 109 -25.180 -6.190 -6.190 845 HZ PHE 109 HZ PHE 109 -24.543 -4.371 -4.371 846 H GLN 110 HN GLN 110 -31.220 -8.711 -8.711 847 HA GLN 110 HA GLN 110 -31.122 -11.589 -11.589 848 1HB GLN 110 2HB GLN 110 -32.614 -11.962 -11.962 849 2HB GLN 110 1HB GLN 110 -31.278 -10.966 -10.966 850 1HG GLN 110 2HG GLN 110 -32.663 -9.371 -9.371 851 2HG GLN 110 1HG GLN 110 -33.422 -9.305 -9.305 852 1HE2 GLN 110 2HE2 GLN 110 -36.012 -11.618 -11.618 853 2HE2 GLN 110 1HE2 GLN 110 -34.931 -11.221 -11.221 854 H GLY 111 HN GLY 111 -32.889 -8.637 -8.637 855 1HA GLY 111 2HA GLY 111 -35.255 -9.952 -9.952 856 2HA GLY 111 1HA GLY 111 -34.961 -8.221 -8.221 857 H ASP 112 HN ASP 112 -36.128 -9.154 -9.154 858 HA ASP 112 HA ASP 112 -34.051 -9.595 -9.595 859 1HB ASP 112 2HB ASP 112 -37.023 -9.939 -9.939 860 2HB ASP 112 1HB ASP 112 -36.222 -9.713 -9.713 861 H GLY 113 HN GLY 113 -33.713 -8.206 -8.206 862 1HA GLY 113 2HA GLY 113 -33.853 -6.243 -6.243 863 2HA GLY 113 1HA GLY 113 -35.275 -5.801 -5.801 864 H MET 114 HN MET 114 -33.715 -3.757 -3.757 865 HA MET 114 HA MET 114 -32.506 -2.066 -2.066 866 1HB MET 114 2HB MET 114 -32.872 -3.413 -3.413 867 2HB MET 114 1HB MET 114 -32.761 -1.694 -1.694 868 1HG MET 114 2HG MET 114 -35.052 -3.495 -3.495 869 2HG MET 114 1HG MET 114 -35.028 -2.364 -2.364 870 1HE MET 114 1HE MET 114 -37.210 -2.505 -2.505 871 2HE MET 114 3HE MET 114 -37.479 -0.777 -0.777 872 3HE MET 114 2HE MET 114 -37.419 -1.453 -1.453 873 H VAL 115 HN VAL 115 -30.547 -1.557 -1.557 874 HA VAL 115 HA VAL 115 -28.407 -1.973 -1.973 875 HB VAL 115 HB VAL 115 -28.679 -4.893 -4.893 876 1HG1 VAL 115 3HG1 VAL 115 -26.708 -3.218 -3.218 877 2HG1 VAL 115 2HG1 VAL 115 -27.242 -4.495 -4.495 878 3HG1 VAL 115 1HG1 VAL 115 -26.597 -4.907 -4.907 879 1HG2 VAL 115 2HG2 VAL 115 -30.275 -3.463 -3.463 880 2HG2 VAL 115 1HG2 VAL 115 -30.224 -5.199 -5.199 881 3HG2 VAL 115 3HG2 VAL 115 -29.147 -4.483 -4.483 882 H ARG 116 HN ARG 116 -26.940 -1.176 -1.176 883 HA ARG 116 HA ARG 116 -26.831 -2.091 -2.091 884 1HB ARG 116 2HB ARG 116 -25.932 0.322 0.322 885 2HB ARG 116 1HB ARG 116 -24.961 -0.162 -0.162 886 1HG ARG 116 2HG ARG 116 -27.934 0.276 0.276 887 2HG ARG 116 1HG ARG 116 -26.735 1.513 1.513 888 1HD ARG 116 2HD ARG 116 -25.858 0.175 0.175 889 2HD ARG 116 1HD ARG 116 -26.914 -1.168 -1.168 890 HE ARG 116 HE ARG 116 -27.609 1.151 1.151 891 1HH1 ARG 116 1HH2 ARG 116 -28.833 -1.344 -1.344 892 2HH1 ARG 116 2HH2 ARG 116 -30.446 -1.259 -1.259 893 1HH2 ARG 116 1HH1 ARG 116 -29.731 1.273 1.273 894 2HH2 ARG 116 2HH1 ARG 116 -30.957 0.229 0.229 895 H ARG 117 HN ARG 117 -24.981 -2.924 -2.924 896 HA ARG 117 HA ARG 117 -22.863 -3.795 -3.795 897 1HB ARG 117 2HB ARG 117 -24.367 -5.648 -5.648 898 2HB ARG 117 1HB ARG 117 -23.906 -5.338 -5.338 899 1HG ARG 117 2HG ARG 117 -21.673 -6.014 -6.014 900 2HG ARG 117 1HG ARG 117 -21.918 -6.031 -6.031 901 1HD ARG 117 2HD ARG 117 -23.272 -7.858 -7.858 902 2HD ARG 117 1HD ARG 117 -21.908 -8.293 -8.293 903 HE ARG 117 HE ARG 117 -23.866 -7.388 -7.388 904 1HH1 ARG 117 1HH2 ARG 117 -23.565 -9.917 -9.917 905 2HH1 ARG 117 2HH2 ARG 117 -24.669 -10.982 -10.982 906 1HH2 ARG 117 1HH1 ARG 117 -25.320 -8.783 -8.783 907 2HH2 ARG 117 2HH1 ARG 117 -25.665 -10.338 -10.338 908 H LYS 118 HN LYS 118 -20.811 -3.433 -3.433 909 HA LYS 118 HA LYS 118 -20.282 -2.525 -2.525 910 1HB LYS 118 2HB LYS 118 -19.528 -1.253 -1.253 911 2HB LYS 118 1HB LYS 118 -18.458 -1.078 -1.078 912 1HG LYS 118 2HG LYS 118 -21.193 -0.517 -0.517 913 2HG LYS 118 1HG LYS 118 -20.664 0.487 0.487 914 1HD LYS 118 2HD LYS 118 -19.073 0.155 0.155 915 2HD LYS 118 1HD LYS 118 -20.252 1.446 1.446 916 1HE LYS 118 2HE LYS 118 -18.397 1.218 1.218 917 2HE LYS 118 1HE LYS 118 -17.571 1.507 1.507 918 1HZ LYS 118 2HZ LYS 118 -19.914 3.142 3.142 919 2HZ LYS 118 1HZ LYS 118 -18.465 3.476 3.476 920 3HZ LYS 118 3HZ LYS 118 -18.530 3.543 3.543 921 H ASN 119 HN ASN 119 -18.016 -2.730 -2.730 922 HA ASN 119 HA ASN 119 -16.591 -4.846 -4.846 923 1HB ASN 119 2HB ASN 119 -16.863 -4.732 -4.732 924 2HB ASN 119 1HB ASN 119 -16.049 -5.980 -5.980 925 1HD2 ASN 119 1HD2 ASN 119 -17.416 -7.184 -7.184 926 2HD2 ASN 119 2HD2 ASN 119 -19.042 -7.540 -7.540 927 H LEU 120 HN LEU 120 -14.313 -4.923 -4.923 928 HA LEU 120 HA LEU 120 -13.087 -2.645 -2.645 929 1HB LEU 120 2HB LEU 120 -13.460 -2.743 -2.743 930 2HB LEU 120 1HB LEU 120 -11.752 -3.009 -3.009 931 HG LEU 120 HG LEU 120 -12.228 -0.877 -0.877 932 1HD1 LEU 120 2HD1 LEU 120 -14.165 -0.773 -0.773 933 2HD1 LEU 120 1HD1 LEU 120 -13.476 0.704 0.704 934 3HD1 LEU 120 3HD1 LEU 120 -14.418 -0.375 -0.375 935 1HD2 LEU 120 2HD2 LEU 120 -11.098 -1.308 -1.308 936 2HD2 LEU 120 1HD2 LEU 120 -10.400 -0.527 -0.527 937 3HD2 LEU 120 3HD2 LEU 120 -11.511 0.364 0.364 938 HA PRO 121 HA PRO 121 -10.860 -6.488 -6.488 939 1HB PRO 121 2HB PRO 121 -9.601 -4.437 -4.437 940 2HB PRO 121 1HB PRO 121 -10.184 -6.058 -6.058 941 1HG PRO 121 2HG PRO 121 -11.591 -3.909 -3.909 942 2HG PRO 121 1HG PRO 121 -12.400 -5.377 -5.377 943 1HD PRO 121 2HD PRO 121 -11.907 -2.796 -2.796 944 2HD PRO 121 1HD PRO 121 -13.296 -3.894 -3.894 945 H ILE 122 HN ILE 122 -8.772 -7.189 -7.189 946 HA ILE 122 HA ILE 122 -7.065 -5.320 -5.320 947 HB ILE 122 HB ILE 122 -7.071 -8.340 -8.340 948 1HG1 ILE 122 2HG1 ILE 122 -9.106 -7.199 -7.199 949 2HG1 ILE 122 1HG1 ILE 122 -8.187 -8.170 -8.170 950 1HG2 ILE 122 1HG2 ILE 122 -5.486 -6.244 -6.244 951 2HG2 ILE 122 3HG2 ILE 122 -5.705 -7.867 -7.867 952 3HG2 ILE 122 2HG2 ILE 122 -4.903 -7.643 -7.643 953 1HD1 ILE 122 3HD1 ILE 122 -7.383 -5.362 -5.362 954 2HD1 ILE 122 2HD1 ILE 122 -9.036 -5.635 -5.635 955 3HD1 ILE 122 1HD1 ILE 122 -7.689 -6.407 -6.407 956 H GLU 123 HN GLU 123 -4.821 -5.299 -5.299 957 HA GLU 123 HA GLU 123 -3.904 -6.658 -6.658 958 1HB GLU 123 2HB GLU 123 -4.391 -3.922 -3.922 959 2HB GLU 123 1HB GLU 123 -2.648 -4.067 -4.067 960 1HG GLU 123 2HG GLU 123 -2.706 -5.515 -5.515 961 2HG GLU 123 1HG GLU 123 -4.353 -4.927 -4.927 962 H TYR 124 HN TYR 124 -1.524 -6.684 -6.684 963 HA TYR 124 HA TYR 124 -0.200 -6.702 -6.702 964 1HB TYR 124 2HB TYR 124 0.080 -8.827 -8.827 965 2HB TYR 124 1HB TYR 124 0.962 -8.779 -8.779 966 HD1 TYR 124 2HD TYR 124 -0.242 -9.155 -9.155 967 HD2 TYR 124 1HD TYR 124 -2.165 -9.632 -9.632 968 HE1 TYR 124 2HE TYR 124 -2.043 -10.430 -10.430 969 HE2 TYR 124 1HE TYR 124 -3.972 -10.905 -10.905 970 HH TYR 124 HH TYR 124 -4.680 -10.860 -10.860 971 H ASN 125 HN ASN 125 1.394 -5.273 -5.273 972 HA ASN 125 HA ASN 125 2.815 -4.778 -4.778 973 1HB ASN 125 2HB ASN 125 1.873 -2.772 -2.772 974 2HB ASN 125 1HB ASN 125 2.604 -3.125 -3.125 975 1HD2 ASN 125 2HD2 ASN 125 5.200 -1.000 -1.000 976 2HD2 ASN 125 1HD2 ASN 125 3.918 -1.412 -1.412 977 H LEU 126 HN LEU 126 4.061 -6.727 -6.727 978 HA LEU 126 HA LEU 126 5.708 -7.299 -7.299 979 1HB LEU 126 2HB LEU 126 6.013 -8.022 -8.022 980 2HB LEU 126 1HB LEU 126 7.003 -8.689 -8.689 981 HG LEU 126 HG LEU 126 4.007 -8.963 -8.963 982 1HD1 LEU 126 1HD1 LEU 126 6.061 -10.631 -10.631 983 2HD1 LEU 126 3HD1 LEU 126 4.530 -11.312 -11.312 984 3HD1 LEU 126 2HD1 LEU 126 4.540 -9.989 -9.989 985 1HD2 LEU 126 1HD2 LEU 126 5.220 -9.361 -9.361 986 2HD2 LEU 126 3HD2 LEU 126 4.462 -10.826 -10.826 987 3HD2 LEU 126 2HD2 LEU 126 6.199 -10.582 -10.582 988 1H ALA 1 2HN ALA 1 36.338 1.465 1.465 989 2H ALA 1 1HN ALA 1 37.268 2.462 2.462 990 3H ALA 1 3HN ALA 1 35.575 2.697 2.697 991 HA ALA 1 HA ALA 1 35.691 3.657 3.657 992 1HB ALA 1 2HB ALA 1 38.280 4.370 4.370 993 2HB ALA 1 1HB ALA 1 37.514 5.310 5.310 994 3HB ALA 1 3HB ALA 1 36.704 5.113 5.113 995 H GLN 2 HN GLN 2 38.657 1.845 1.845 996 HA GLN 2 HA GLN 2 39.252 1.822 1.822 997 1HB GLN 2 2HB GLN 2 40.934 0.861 0.861 998 2HB GLN 2 1HB GLN 2 41.446 0.949 0.949 999 1HG GLN 2 2HG GLN 2 41.312 3.342 3.342 1000 2HG GLN 2 1HG GLN 2 40.611 3.328 3.328 1001 1HE2 GLN 2 2HE2 GLN 2 44.612 2.683 2.683 1002 2HE2 GLN 2 1HE2 GLN 2 43.497 2.452 2.452 1003 H SER 3 HN SER 3 37.674 0.351 0.351 1004 HA SER 3 HA SER 3 38.382 -2.430 -2.430 1005 1HB SER 3 2HB SER 3 36.274 -1.330 -1.330 1006 2HB SER 3 1HB SER 3 35.479 -2.101 -2.101 1007 HG SER 3 HG SER 3 37.261 -3.308 -3.308 1008 H VAL 4 HN VAL 4 36.821 -3.853 -3.853 1009 HA VAL 4 HA VAL 4 37.155 -2.909 -2.909 1010 HB VAL 4 HB VAL 4 36.204 -5.076 -5.076 1011 1HG1 VAL 4 1HG1 VAL 4 38.509 -4.753 -4.753 1012 2HG1 VAL 4 3HG1 VAL 4 37.917 -6.408 -6.408 1013 3HG1 VAL 4 2HG1 VAL 4 38.389 -5.531 -5.531 1014 1HG2 VAL 4 2HG2 VAL 4 34.571 -5.258 -5.258 1015 2HG2 VAL 4 1HG2 VAL 4 35.529 -6.722 -6.722 1016 3HG2 VAL 4 3HG2 VAL 4 35.906 -5.620 -5.620 1017 HA PRO 5 HA PRO 5 33.285 -1.137 -1.137 1018 1HB PRO 5 2HB PRO 5 33.017 -3.292 -3.292 1019 2HB PRO 5 1HB PRO 5 32.878 -1.540 -1.540 1020 1HG PRO 5 2HG PRO 5 35.067 -2.815 -2.815 1021 2HG PRO 5 1HG PRO 5 35.177 -1.227 -1.227 1022 1HD PRO 5 2HD PRO 5 35.800 -3.927 -3.927 1023 2HD PRO 5 1HD PRO 5 36.574 -2.365 -2.365 1024 HA PRO 6 HA PRO 6 30.147 -3.522 -3.522 1025 1HB PRO 6 2HB PRO 6 27.921 -2.252 -2.252 1026 2HB PRO 6 1HB PRO 6 29.028 -1.533 -1.533 1027 1HG PRO 6 2HG PRO 6 28.830 -1.062 -1.062 1028 2HG PRO 6 1HG PRO 6 29.042 0.116 0.116 1029 1HD PRO 6 2HD PRO 6 31.103 -0.756 -0.756 1030 2HD PRO 6 1HD PRO 6 31.304 -0.295 -0.295 1031 H GLY 7 HN GLY 7 28.401 -4.994 -4.994 1032 1HA GLY 7 2HA GLY 7 28.643 -6.358 -6.358 1033 2HA GLY 7 1HA GLY 7 27.693 -6.882 -6.882 1034 H ASP 8 HN ASP 8 25.863 -7.385 -7.385 1035 HA ASP 8 HA ASP 8 24.442 -5.069 -5.069 1036 1HB ASP 8 2HB ASP 8 25.314 -7.196 -7.196 1037 2HB ASP 8 1HB ASP 8 23.685 -7.713 -7.713 1038 H ILE 9 HN ILE 9 22.357 -4.779 -4.779 1039 HA ILE 9 HA ILE 9 21.257 -6.737 -6.737 1040 HB ILE 9 HB ILE 9 19.983 -4.902 -4.902 1041 1HG1 ILE 9 2HG1 ILE 9 21.430 -2.692 -2.692 1042 2HG1 ILE 9 1HG1 ILE 9 20.574 -3.591 -3.591 1043 1HG2 ILE 9 2HG2 ILE 9 22.201 -5.455 -5.455 1044 2HG2 ILE 9 1HG2 ILE 9 22.923 -4.268 -4.268 1045 3HG2 ILE 9 3HG2 ILE 9 21.831 -3.741 -3.741 1046 1HD1 ILE 9 1HD1 ILE 9 18.500 -3.357 -3.357 1047 2HD1 ILE 9 3HD1 ILE 9 19.386 -2.351 -2.351 1048 3HD1 ILE 9 2HD1 ILE 9 19.181 -1.818 -1.818 1049 H ASN 10 HN ASN 10 19.040 -7.221 -7.221 1050 HA ASN 10 HA ASN 10 17.809 -6.738 -6.738 1051 1HB ASN 10 2HB ASN 10 18.127 -9.077 -9.077 1052 2HB ASN 10 1HB ASN 10 16.414 -8.680 -8.680 1053 1HD2 ASN 10 2HD2 ASN 10 18.091 -9.914 -9.914 1054 2HD2 ASN 10 1HD2 ASN 10 19.059 -9.471 -9.471 1055 H THR 11 HN THR 11 15.560 -6.220 -6.220 1056 HA THR 11 HA THR 11 14.278 -5.303 -5.303 1057 HB THR 11 HB THR 11 13.654 -3.150 -3.150 1058 HG1 THR 11 1HG THR 11 14.768 -2.730 -2.730 1059 1HG2 THR 11 2HG2 THR 11 16.457 -3.492 -3.492 1060 2HG2 THR 11 1HG2 THR 11 15.630 -1.957 -1.957 1061 3HG2 THR 11 3HG2 THR 11 15.037 -3.075 -3.075 1062 H GLN 12 HN GLN 12 12.019 -5.005 -5.005 1063 HA GLN 12 HA GLN 12 10.765 -5.923 -5.923 1064 1HB GLN 12 2HB GLN 12 10.664 -7.225 -7.225 1065 2HB GLN 12 1HB GLN 12 9.141 -7.113 -7.113 1066 1HG GLN 12 2HG GLN 12 11.424 -8.071 -8.071 1067 2HG GLN 12 1HG GLN 12 10.913 -9.129 -9.129 1068 1HE2 GLN 12 2HE2 GLN 12 8.624 -8.639 -8.639 1069 2HE2 GLN 12 1HE2 GLN 12 10.011 -7.655 -7.655 1070 HA PRO 13 HA PRO 13 9.164 -5.376 -5.376 1071 1HB PRO 13 2HB PRO 13 8.868 -3.046 -3.046 1072 2HB PRO 13 1HB PRO 13 7.511 -4.013 -4.013 1073 1HG PRO 13 2HG PRO 13 8.757 -1.568 -1.568 1074 2HG PRO 13 1HG PRO 13 7.040 -1.981 -1.981 1075 1HD PRO 13 2HD PRO 13 8.340 -2.284 -2.284 1076 2HD PRO 13 1HD PRO 13 7.074 -3.417 -3.417 1077 H SER 14 HN SER 14 10.759 -5.333 -5.333 1078 HA SER 14 HA SER 14 13.248 -4.064 -4.064 1079 1HB SER 14 2HB SER 14 12.945 -6.560 -6.560 1080 2HB SER 14 1HB SER 14 13.003 -5.945 -5.945 1081 HG SER 14 HG SER 14 15.083 -6.335 -6.335 1082 H GLN 15 HN GLN 15 10.808 -2.943 -2.943 1083 HA GLN 15 HA GLN 15 12.567 -1.590 -1.590 1084 1HB GLN 15 2HB GLN 15 10.279 -1.412 -1.412 1085 2HB GLN 15 1HB GLN 15 11.366 -2.778 -2.778 1086 1HG GLN 15 2HG GLN 15 9.408 -3.111 -3.111 1087 2HG GLN 15 1HG GLN 15 8.703 -2.938 -2.938 1088 1HE2 GLN 15 2HE2 GLN 15 9.328 -6.210 -6.210 1089 2HE2 GLN 15 1HE2 GLN 15 8.403 -4.763 -4.763 1090 H LYS 16 HN LYS 16 9.296 -1.332 -1.332 1091 HA LYS 16 HA LYS 16 9.806 1.196 1.196 1092 1HB LYS 16 2HB LYS 16 8.233 2.515 2.515 1093 2HB LYS 16 1HB LYS 16 9.727 2.058 2.058 1094 1HG LYS 16 2HG LYS 16 8.379 0.060 0.060 1095 2HG LYS 16 1HG LYS 16 6.962 0.991 0.991 1096 1HD LYS 16 2HD LYS 16 7.792 2.882 2.882 1097 2HD LYS 16 1HD LYS 16 9.115 1.855 1.855 1098 1HE LYS 16 2HE LYS 16 6.343 0.825 0.825 1099 2HE LYS 16 1HE LYS 16 6.854 2.111 2.111 1100 1HZ LYS 16 2HZ LYS 16 8.883 0.606 0.606 1101 2HZ LYS 16 1HZ LYS 16 7.922 -0.624 -0.624 1102 3HZ LYS 16 3HZ LYS 16 7.422 0.194 0.194 1103 H ILE 17 HN ILE 17 7.631 2.259 2.259 1104 HA ILE 17 HA ILE 17 5.715 0.120 0.120 1105 HB ILE 17 HB ILE 17 7.030 0.839 0.839 1106 1HG1 ILE 17 2HG1 ILE 17 4.153 1.757 1.757 1107 2HG1 ILE 17 1HG1 ILE 17 4.644 0.067 0.067 1108 1HG2 ILE 17 2HG2 ILE 17 5.834 3.525 3.525 1109 2HG2 ILE 17 1HG2 ILE 17 6.552 3.122 3.122 1110 3HG2 ILE 17 3HG2 ILE 17 7.542 3.098 3.098 1111 1HD1 ILE 17 3HD1 ILE 17 6.182 1.208 1.208 1112 2HD1 ILE 17 2HD1 ILE 17 4.598 1.964 1.964 1113 3HD1 ILE 17 1HD1 ILE 17 4.746 0.207 0.207 1114 H VAL 18 HN VAL 18 3.509 0.779 0.779 1115 HA VAL 18 HA VAL 18 2.857 3.245 3.245 1116 HB VAL 18 HB VAL 18 1.217 0.711 0.711 1117 1HG1 VAL 18 2HG1 VAL 18 0.850 3.362 3.362 1118 2HG1 VAL 18 1HG1 VAL 18 0.078 1.900 1.900 1119 3HG1 VAL 18 3HG1 VAL 18 -0.282 2.471 2.471 1120 1HG2 VAL 18 1HG2 VAL 18 3.437 1.518 1.518 1121 2HG2 VAL 18 3HG2 VAL 18 2.664 -0.057 -0.057 1122 3HG2 VAL 18 2HG2 VAL 18 1.980 1.143 1.143 1123 H PHE 19 HN PHE 19 2.765 4.453 4.453 1124 HA PHE 19 HA PHE 19 1.358 3.888 3.888 1125 1HB PHE 19 2HB PHE 19 1.939 6.456 6.456 1126 2HB PHE 19 1HB PHE 19 0.935 6.470 6.470 1127 HD1 PHE 19 1HD PHE 19 3.554 3.972 3.972 1128 HD2 PHE 19 2HD PHE 19 2.629 7.962 7.962 1129 HE1 PHE 19 1HE PHE 19 5.575 4.030 4.030 1130 HE2 PHE 19 2HE PHE 19 4.649 8.027 8.027 1131 HZ PHE 19 HZ PHE 19 6.126 6.060 6.060 1132 H ASN 20 HN ASN 20 -0.616 2.961 2.961 1133 HA ASN 20 HA ASN 20 -2.624 3.687 3.687 1134 1HB ASN 20 2HB ASN 20 -2.962 2.106 2.106 1135 2HB ASN 20 1HB ASN 20 -4.044 2.111 2.111 1136 1HD2 ASN 20 2HD2 ASN 20 -1.098 -0.514 -0.514 1137 2HD2 ASN 20 1HD2 ASN 20 -1.693 0.419 0.419 1138 H ALA 21 HN ALA 21 -4.309 5.045 5.045 1139 HA ALA 21 HA ALA 21 -4.297 7.204 7.204 1140 1HB ALA 21 2HB ALA 21 -5.776 6.421 6.421 1141 2HB ALA 21 1HB ALA 21 -6.974 6.544 6.544 1142 3HB ALA 21 3HB ALA 21 -5.956 7.930 7.930 1143 HA PRO 22 HA PRO 22 -6.575 8.432 8.432 1144 1HB PRO 22 2HB PRO 22 -7.281 9.788 9.788 1145 2HB PRO 22 1HB PRO 22 -8.395 8.662 8.662 1146 1HG PRO 22 2HG PRO 22 -6.693 8.257 8.257 1147 2HG PRO 22 1HG PRO 22 -8.383 7.791 7.791 1148 1HD PRO 22 2HD PRO 22 -6.274 6.063 6.063 1149 2HD PRO 22 1HD PRO 22 -7.801 5.878 5.878 1150 H TYR 23 HN TYR 23 -5.679 10.594 10.594 1151 HA TYR 23 HA TYR 23 -3.026 10.445 10.445 1152 1HB TYR 23 2HB TYR 23 -3.892 12.166 12.166 1153 2HB TYR 23 1HB TYR 23 -2.271 12.095 12.095 1154 HD1 TYR 23 2HD TYR 23 -2.273 9.068 9.068 1155 HD2 TYR 23 1HD TYR 23 -3.308 11.458 11.458 1156 HE1 TYR 23 2HE TYR 23 -1.726 7.197 7.197 1157 HE2 TYR 23 1HE TYR 23 -2.763 9.586 9.586 1158 HH TYR 23 HH TYR 23 -2.701 6.712 6.712 1159 H ASP 24 HN ASP 24 -5.528 11.176 11.176 1160 HA ASP 24 HA ASP 24 -4.919 13.974 13.974 1161 1HB ASP 24 2HB ASP 24 -7.289 13.055 13.055 1162 2HB ASP 24 1HB ASP 24 -7.568 12.919 12.919 1163 H ASP 25 HN ASP 25 -4.305 11.001 11.001 1164 HA ASP 25 HA ASP 25 -4.377 11.869 11.869 1165 1HB ASP 25 2HB ASP 25 -6.336 10.266 10.266 1166 2HB ASP 25 1HB ASP 25 -5.088 9.024 9.024 1167 H LYS 26 HN LYS 26 -2.895 10.683 10.683 1168 HA LYS 26 HA LYS 26 -0.426 10.137 10.137 1169 1HB LYS 26 2HB LYS 26 -1.186 9.909 9.909 1170 2HB LYS 26 1HB LYS 26 0.449 9.744 9.744 1171 1HG LYS 26 2HG LYS 26 0.106 12.092 12.092 1172 2HG LYS 26 1HG LYS 26 -1.275 12.189 12.189 1173 1HD LYS 26 2HD LYS 26 1.568 11.595 11.595 1174 2HD LYS 26 1HD LYS 26 0.761 13.155 13.155 1175 1HE LYS 26 2HE LYS 26 -0.614 10.811 10.811 1176 2HE LYS 26 1HE LYS 26 0.867 11.336 11.336 1177 1HZ LYS 26 3HZ LYS 26 -0.172 13.633 13.633 1178 2HZ LYS 26 2HZ LYS 26 -1.630 12.865 12.865 1179 3HZ LYS 26 1HZ LYS 26 -0.844 12.512 12.512 1180 H HIS 27 HN HIS 27 0.005 8.263 8.263 1181 HA HIS 27 HA HIS 27 -1.026 5.794 5.794 1182 1HB HIS 27 2HB HIS 27 -0.440 6.386 6.386 1183 2HB HIS 27 1HB HIS 27 -0.861 4.793 4.793 1184 HD1 HIS 27 1HD HIS 27 -3.086 6.238 6.238 1185 HD2 HIS 27 2HD HIS 27 -2.801 6.346 6.346 1186 HE1 HIS 27 1HE HIS 27 -5.403 6.779 6.779 1187 H THR 28 HN THR 28 0.350 3.977 3.977 1188 HA THR 28 HA THR 28 3.206 4.637 4.637 1189 HB THR 28 HB THR 28 1.957 2.658 2.658 1190 HG1 THR 28 1HG THR 28 2.392 4.215 4.215 1191 1HG2 THR 28 3HG2 THR 28 4.769 3.703 3.703 1192 2HG2 THR 28 2HG2 THR 28 4.137 2.750 2.750 1193 3HG2 THR 28 1HG2 THR 28 4.229 2.047 2.047 1194 H TYR 29 HN TYR 29 4.359 3.476 3.476 1195 HA TYR 29 HA TYR 29 3.183 1.002 1.002 1196 1HB TYR 29 2HB TYR 29 5.338 2.719 2.719 1197 2HB TYR 29 1HB TYR 29 4.489 1.375 1.375 1198 HD1 TYR 29 1HD TYR 29 4.225 4.874 4.874 1199 HD2 TYR 29 2HD TYR 29 2.254 1.649 1.649 1200 HE1 TYR 29 1HE TYR 29 2.537 6.438 6.438 1201 HE2 TYR 29 2HE TYR 29 0.561 3.204 3.204 1202 HH TYR 29 HH TYR 29 -0.125 6.003 6.003 1203 H HIS 30 HN HIS 30 4.167 -0.887 -0.887 1204 HA HIS 30 HA HIS 30 6.658 -0.875 -0.875 1205 1HB HIS 30 2HB HIS 30 4.649 -3.034 -3.034 1206 2HB HIS 30 1HB HIS 30 6.172 -3.362 -3.362 1207 HD1 HIS 30 1HD HIS 30 4.720 -4.130 -4.130 1208 HD2 HIS 30 2HD HIS 30 4.406 -0.118 -0.118 1209 HE1 HIS 30 1HE HIS 30 3.649 -2.972 -2.972 1210 H ILE 31 HN ILE 31 8.523 -0.969 -0.969 1211 HA ILE 31 HA ILE 31 8.659 -2.325 -2.325 1212 HB ILE 31 HB ILE 31 10.644 -0.409 -0.409 1213 1HG1 ILE 31 2HG1 ILE 31 8.623 0.789 0.789 1214 2HG1 ILE 31 1HG1 ILE 31 9.821 1.153 1.153 1215 1HG2 ILE 31 1HG2 ILE 31 10.687 -2.120 -2.120 1216 2HG2 ILE 31 3HG2 ILE 31 11.133 -0.441 -0.441 1217 3HG2 ILE 31 2HG2 ILE 31 12.016 -1.388 -1.388 1218 1HD1 ILE 31 1HD1 ILE 31 8.494 -1.026 -1.026 1219 2HD1 ILE 31 3HD1 ILE 31 7.219 -0.098 -0.098 1220 3HD1 ILE 31 2HD1 ILE 31 8.230 0.663 0.663 1221 H LYS 32 HN LYS 32 10.142 -3.959 -3.959 1222 HA LYS 32 HA LYS 32 11.277 -5.164 -5.164 1223 1HB LYS 32 2HB LYS 32 9.724 -6.331 -6.331 1224 2HB LYS 32 1HB LYS 32 11.275 -6.607 -6.607 1225 1HG LYS 32 2HG LYS 32 12.008 -7.529 -7.529 1226 2HG LYS 32 1HG LYS 32 10.276 -7.636 -7.636 1227 1HD LYS 32 2HD LYS 32 10.892 -9.747 -9.747 1228 2HD LYS 32 1HD LYS 32 10.095 -8.912 -8.912 1229 1HE LYS 32 2HE LYS 32 12.343 -8.244 -8.244 1230 2HE LYS 32 1HE LYS 32 13.061 -9.247 -9.247 1231 1HZ LYS 32 2HZ LYS 32 11.083 -10.516 -10.516 1232 2HZ LYS 32 1HZ LYS 32 12.572 -10.143 -10.143 1233 3HZ LYS 32 3HZ LYS 32 12.510 -11.145 -11.145 1234 H ILE 33 HN ILE 33 13.401 -5.662 -5.662 1235 HA ILE 33 HA ILE 33 15.239 -4.978 -4.978 1236 HB ILE 33 HB ILE 33 15.671 -4.169 -4.169 1237 1HG1 ILE 33 2HG1 ILE 33 15.105 -2.420 -2.420 1238 2HG1 ILE 33 1HG1 ILE 33 13.924 -2.826 -2.826 1239 1HG2 ILE 33 2HG2 ILE 33 17.320 -3.864 -3.864 1240 2HG2 ILE 33 1HG2 ILE 33 17.570 -2.861 -2.861 1241 3HG2 ILE 33 3HG2 ILE 33 17.773 -4.610 -4.610 1242 1HD1 ILE 33 1HD1 ILE 33 15.990 -1.844 -1.844 1243 2HD1 ILE 33 3HD1 ILE 33 16.070 -0.856 -0.856 1244 3HD1 ILE 33 2HD1 ILE 33 14.578 -0.926 -0.926 1245 H THR 34 HN THR 34 17.279 -6.066 -6.066 1246 HA THR 34 HA THR 34 17.656 -8.099 -8.099 1247 HB THR 34 HB THR 34 17.155 -8.798 -8.798 1248 HG1 THR 34 1HG THR 34 15.271 -8.796 -8.796 1249 1HG2 THR 34 2HG2 THR 34 19.071 -10.093 -10.093 1250 2HG2 THR 34 1HG2 THR 34 18.103 -10.645 -10.645 1251 3HG2 THR 34 3HG2 THR 34 17.649 -11.100 -11.100 1252 H ASN 35 HN ASN 35 19.705 -9.187 -9.187 1253 HA ASN 35 HA ASN 35 21.708 -7.577 -7.577 1254 1HB ASN 35 2HB ASN 35 21.860 -7.423 -7.423 1255 2HB ASN 35 1HB ASN 35 22.057 -9.171 -9.171 1256 1HD2 ASN 35 2HD2 ASN 35 25.477 -8.917 -8.917 1257 2HD2 ASN 35 1HD2 ASN 35 24.069 -9.682 -9.682 1258 H ALA 36 HN ALA 36 22.261 -8.648 -8.648 1259 HA ALA 36 HA ALA 36 22.206 -11.517 -11.517 1260 1HB ALA 36 2HB ALA 36 21.667 -9.849 -9.849 1261 2HB ALA 36 1HB ALA 36 23.415 -9.713 -9.713 1262 3HB ALA 36 3HB ALA 36 22.621 -11.273 -11.273 1263 H GLY 37 HN GLY 37 24.431 -9.410 -9.410 1264 1HA GLY 37 2HA GLY 37 26.819 -10.742 -10.742 1265 2HA GLY 37 1HA GLY 37 26.744 -9.460 -9.460 1266 H GLY 38 HN GLY 38 28.440 -11.052 -11.052 1267 1HA GLY 38 2HA GLY 38 27.067 -13.058 -13.058 1268 2HA GLY 38 1HA GLY 38 28.710 -13.250 -13.250 1269 H ARG 39 HN ARG 39 27.705 -10.125 -10.125 1270 HA ARG 39 HA ARG 39 28.816 -10.522 -10.522 1271 1HB ARG 39 2HB ARG 39 29.873 -8.406 -8.406 1272 2HB ARG 39 1HB ARG 39 30.369 -8.656 -8.656 1273 1HG ARG 39 2HG ARG 39 31.184 -10.916 -10.916 1274 2HG ARG 39 1HG ARG 39 30.828 -10.503 -10.503 1275 1HD ARG 39 2HD ARG 39 32.819 -9.203 -9.203 1276 2HD ARG 39 1HD ARG 39 33.141 -10.080 -10.080 1277 HE ARG 39 HE ARG 39 31.523 -7.975 -7.975 1278 1HH1 ARG 39 1HH2 ARG 39 34.624 -8.355 -8.355 1279 2HH1 ARG 39 2HH2 ARG 39 35.253 -6.859 -6.859 1280 1HH2 ARG 39 1HH1 ARG 39 32.340 -6.004 -6.004 1281 2HH2 ARG 39 2HH1 ARG 39 33.954 -5.523 -5.523 1282 H ARG 40 HN ARG 40 28.820 -8.168 -8.168 1283 HA ARG 40 HA ARG 40 26.051 -7.350 -7.350 1284 1HB ARG 40 2HB ARG 40 26.829 -5.786 -5.786 1285 2HB ARG 40 1HB ARG 40 26.955 -7.511 -7.511 1286 1HG ARG 40 2HG ARG 40 29.362 -6.391 -6.391 1287 2HG ARG 40 1HG ARG 40 28.943 -5.661 -5.661 1288 1HD ARG 40 2HD ARG 40 28.969 -8.637 -8.637 1289 2HD ARG 40 1HD ARG 40 30.446 -7.748 -7.748 1290 HE ARG 40 HE ARG 40 28.441 -7.032 -7.032 1291 1HH1 ARG 40 1HH2 ARG 40 30.496 -9.713 -9.713 1292 2HH1 ARG 40 2HH2 ARG 40 30.533 -10.362 -10.362 1293 1HH2 ARG 40 1HH1 ARG 40 28.481 -7.877 -7.877 1294 2HH2 ARG 40 2HH1 ARG 40 29.385 -9.318 -9.318 1295 H ILE 41 HN ILE 41 25.366 -5.133 -5.133 1296 HA ILE 41 HA ILE 41 27.213 -3.294 -3.294 1297 HB ILE 41 HB ILE 41 25.545 -2.868 -2.868 1298 1HG1 ILE 41 2HG1 ILE 41 24.510 -5.604 -5.604 1299 2HG1 ILE 41 1HG1 ILE 41 23.677 -4.101 -4.101 1300 1HG2 ILE 41 1HG2 ILE 41 27.705 -4.248 -4.248 1301 2HG2 ILE 41 3HG2 ILE 41 26.639 -5.653 -5.653 1302 3HG2 ILE 41 2HG2 ILE 41 26.531 -4.419 -4.419 1303 1HD1 ILE 41 2HD1 ILE 41 24.397 -4.853 -4.853 1304 2HD1 ILE 41 1HD1 ILE 41 22.894 -5.369 -5.369 1305 3HD1 ILE 41 3HD1 ILE 41 23.231 -3.652 -3.652 1306 H GLY 42 HN GLY 42 26.039 -1.188 -1.188 1307 1HA GLY 42 2HA GLY 42 23.980 -0.633 -0.633 1308 2HA GLY 42 1HA GLY 42 25.336 0.456 0.456 1309 H TRP 43 HN TRP 43 22.158 -0.298 -0.298 1310 HA TRP 43 HA TRP 43 22.344 1.261 1.261 1311 1HB TRP 43 2HB TRP 43 20.037 0.377 0.377 1312 2HB TRP 43 1HB TRP 43 21.293 -0.854 -0.854 1313 HD1 TRP 43 1HD TRP 43 21.371 -2.313 -2.313 1314 HE1 TRP 43 1HE TRP 43 19.436 -3.030 -3.030 1315 HE3 TRP 43 3HE TRP 43 17.817 1.014 1.014 1316 HZ2 TRP 43 2HZ TRP 43 16.758 -2.283 -2.283 1317 HZ3 TRP 43 3HZ TRP 43 15.595 0.945 0.945 1318 HH2 TRP 43 2HH TRP 43 15.077 -0.671 -0.671 1319 H ALA 44 HN ALA 44 20.711 2.816 2.816 1320 HA ALA 44 HA ALA 44 19.120 3.909 3.909 1321 1HB ALA 44 1HB ALA 44 21.329 5.524 5.524 1322 2HB ALA 44 3HB ALA 44 20.090 6.163 6.163 1323 3HB ALA 44 2HB ALA 44 21.262 4.989 4.989 1324 H ILE 45 HN ILE 45 17.631 5.558 5.558 1325 HA ILE 45 HA ILE 45 17.216 5.440 5.440 1326 HB ILE 45 HB ILE 45 15.014 5.660 5.660 1327 1HG1 ILE 45 2HG1 ILE 45 14.575 3.232 3.232 1328 2HG1 ILE 45 1HG1 ILE 45 16.250 3.247 3.247 1329 1HG2 ILE 45 3HG2 ILE 45 15.169 5.742 5.742 1330 2HG2 ILE 45 2HG2 ILE 45 13.981 4.590 4.590 1331 3HG2 ILE 45 1HG2 ILE 45 13.889 6.286 6.286 1332 1HD1 ILE 45 2HD1 ILE 45 16.282 4.234 4.234 1333 2HD1 ILE 45 1HD1 ILE 45 15.197 2.844 2.844 1334 3HD1 ILE 45 3HD1 ILE 45 16.852 2.667 2.667 1335 H LYS 46 HN LYS 46 16.588 7.268 7.268 1336 HA LYS 46 HA LYS 46 16.057 9.700 9.700 1337 1HB LYS 46 2HB LYS 46 18.167 9.660 9.660 1338 2HB LYS 46 1HB LYS 46 17.717 11.009 11.009 1339 1HG LYS 46 2HG LYS 46 18.430 9.116 9.116 1340 2HG LYS 46 1HG LYS 46 19.539 8.782 8.782 1341 1HD LYS 46 2HD LYS 46 20.776 10.383 10.383 1342 2HD LYS 46 1HD LYS 46 19.731 11.458 11.458 1343 1HE LYS 46 2HE LYS 46 19.664 12.335 12.335 1344 2HE LYS 46 1HE LYS 46 18.177 11.397 11.397 1345 1HZ LYS 46 3HZ LYS 46 19.785 9.548 9.548 1346 2HZ LYS 46 2HZ LYS 46 20.547 10.910 10.910 1347 3HZ LYS 46 1HZ LYS 46 18.918 10.606 10.606 1348 H THR 47 HN THR 47 14.424 10.763 10.763 1349 HA THR 47 HA THR 47 13.623 10.080 10.080 1350 HB THR 47 HB THR 47 11.424 11.063 11.063 1351 HG1 THR 47 1HG THR 47 12.420 12.365 12.365 1352 1HG2 THR 47 1HG2 THR 47 12.390 8.588 8.588 1353 2HG2 THR 47 3HG2 THR 47 11.749 9.191 9.191 1354 3HG2 THR 47 2HG2 THR 47 10.708 9.110 9.110 1355 H THR 48 HN THR 48 12.773 11.763 11.763 1356 HA THR 48 HA THR 48 14.484 13.832 13.832 1357 HB THR 48 HB THR 48 12.087 14.875 14.875 1358 HG1 THR 48 1HG THR 48 10.705 13.289 13.289 1359 1HG2 THR 48 3HG2 THR 48 14.223 14.176 14.176 1360 2HG2 THR 48 2HG2 THR 48 13.359 12.663 12.663 1361 3HG2 THR 48 1HG2 THR 48 12.673 14.183 14.183 1362 H ASN 49 HN ASN 49 11.781 13.794 13.794 1363 HA ASN 49 HA ASN 49 12.684 16.370 16.370 1364 1HB ASN 49 2HB ASN 49 10.389 16.167 16.167 1365 2HB ASN 49 1HB ASN 49 9.780 16.034 16.034 1366 1HD2 ASN 49 2HD2 ASN 49 9.830 19.445 19.445 1367 2HD2 ASN 49 1HD2 ASN 49 9.083 17.912 17.912 1368 H MET 50 HN MET 50 13.049 16.230 16.230 1369 HA MET 50 HA MET 50 12.158 13.901 13.901 1370 1HB MET 50 2HB MET 50 14.258 15.891 15.891 1371 2HB MET 50 1HB MET 50 13.442 15.606 15.606 1372 1HG MET 50 2HG MET 50 13.980 13.110 13.110 1373 2HG MET 50 1HG MET 50 15.455 14.070 14.070 1374 1HE MET 50 3HE MET 50 12.379 12.719 12.719 1375 2HE MET 50 2HE MET 50 13.523 11.402 11.402 1376 3HE MET 50 1HE MET 50 13.204 11.984 11.984 1377 H ARG 51 HN ARG 51 10.505 16.525 16.525 1378 HA ARG 51 HA ARG 51 9.412 17.063 17.063 1379 1HB ARG 51 2HB ARG 51 8.515 18.478 18.478 1380 2HB ARG 51 1HB ARG 51 8.566 19.065 19.065 1381 1HG ARG 51 2HG ARG 51 10.888 18.678 18.678 1382 2HG ARG 51 1HG ARG 51 10.247 20.200 20.200 1383 1HD ARG 51 2HD ARG 51 11.007 18.301 18.301 1384 2HD ARG 51 1HD ARG 51 12.349 18.803 18.803 1385 HE ARG 51 HE ARG 51 12.183 20.939 20.939 1386 1HH1 ARG 51 1HH2 ARG 51 9.461 19.031 19.031 1387 2HH1 ARG 51 2HH2 ARG 51 8.949 20.190 20.190 1388 1HH2 ARG 51 1HH1 ARG 51 11.508 22.466 22.466 1389 2HH2 ARG 51 2HH1 ARG 51 10.109 22.141 22.141 1390 H ARG 52 HN ARG 52 8.363 16.147 16.147 1391 HA ARG 52 HA ARG 52 5.688 15.545 15.545 1392 1HB ARG 52 2HB ARG 52 6.946 14.907 14.907 1393 2HB ARG 52 1HB ARG 52 5.229 14.951 14.951 1394 1HG ARG 52 2HG ARG 52 5.247 17.306 17.306 1395 2HG ARG 52 1HG ARG 52 7.011 17.361 17.361 1396 1HD ARG 52 2HD ARG 52 6.433 16.096 16.096 1397 2HD ARG 52 1HD ARG 52 5.111 17.253 17.253 1398 HE ARG 52 HE ARG 52 7.793 17.841 17.841 1399 1HH1 ARG 52 1HH2 ARG 52 5.110 19.063 19.063 1400 2HH1 ARG 52 2HH2 ARG 52 5.606 20.718 20.718 1401 1HH2 ARG 52 1HH1 ARG 52 8.455 20.016 20.016 1402 2HH2 ARG 52 2HH1 ARG 52 7.507 21.260 21.260 1403 H LEU 53 HN LEU 53 8.374 13.662 13.662 1404 HA LEU 53 HA LEU 53 7.113 11.185 11.185 1405 1HB LEU 53 2HB LEU 53 9.778 11.431 11.431 1406 2HB LEU 53 1HB LEU 53 8.695 10.052 10.052 1407 HG LEU 53 HG LEU 53 8.087 12.649 12.649 1408 1HD1 LEU 53 2HD1 LEU 53 9.491 10.179 10.179 1409 2HD1 LEU 53 1HD1 LEU 53 8.403 10.978 10.978 1410 3HD1 LEU 53 3HD1 LEU 53 9.768 11.861 11.861 1411 1HD2 LEU 53 2HD2 LEU 53 6.145 11.284 11.284 1412 2HD2 LEU 53 1HD2 LEU 53 6.267 11.456 11.456 1413 3HD2 LEU 53 3HD2 LEU 53 6.763 9.952 9.952 1414 H SER 54 HN SER 54 8.257 9.613 9.613 1415 HA SER 54 HA SER 54 10.595 10.452 10.452 1416 1HB SER 54 2HB SER 54 7.986 10.890 10.890 1417 2HB SER 54 1HB SER 54 8.771 9.618 9.618 1418 HG SER 54 HG SER 54 10.249 11.001 11.001 1419 H VAL 55 HN VAL 55 11.582 8.751 8.751 1420 HA VAL 55 HA VAL 55 10.557 6.076 6.076 1421 HB VAL 55 HB VAL 55 13.134 5.529 5.529 1422 1HG1 VAL 55 2HG1 VAL 55 11.448 5.484 5.484 1423 2HG1 VAL 55 1HG1 VAL 55 12.608 6.681 6.681 1424 3HG1 VAL 55 3HG1 VAL 55 13.157 5.067 5.067 1425 1HG2 VAL 55 2HG2 VAL 55 13.687 7.906 7.906 1426 2HG2 VAL 55 1HG2 VAL 55 14.602 7.218 7.218 1427 3HG2 VAL 55 3HG2 VAL 55 13.247 8.300 8.300 1428 H ASP 56 HN ASP 56 10.970 4.389 4.389 1429 HA ASP 56 HA ASP 56 12.169 4.818 4.818 1430 1HB ASP 56 2HB ASP 56 9.593 5.899 5.899 1431 2HB ASP 56 1HB ASP 56 9.392 4.390 4.390 1432 HA PRO 57 HA PRO 57 13.368 3.597 3.597 1433 1HB PRO 57 2HB PRO 57 15.317 1.782 1.782 1434 2HB PRO 57 1HB PRO 57 14.184 1.613 1.613 1435 1HG PRO 57 2HG PRO 57 14.116 0.329 0.329 1436 2HG PRO 57 1HG PRO 57 13.800 -0.393 -0.393 1437 1HD PRO 57 2HD PRO 57 11.812 0.357 0.357 1438 2HD PRO 57 1HD PRO 57 11.655 0.450 0.450 1439 HA PRO 58 HA PRO 58 14.946 5.419 5.419 1440 1HB PRO 58 2HB PRO 58 16.690 7.154 7.154 1441 2HB PRO 58 1HB PRO 58 14.942 7.379 7.379 1442 1HG PRO 58 2HG PRO 58 16.869 6.269 6.269 1443 2HG PRO 58 1HG PRO 58 15.532 7.408 7.408 1444 1HD PRO 58 2HD PRO 58 15.357 4.737 4.737 1445 2HD PRO 58 1HD PRO 58 13.963 5.736 5.736 1446 H CYS 59 HN CYS 59 16.713 3.409 3.409 1447 HA CYS 59 HA CYS 59 18.536 2.627 2.627 1448 1HB CYS 59 2HB CYS 59 20.627 3.378 3.378 1449 2HB CYS 59 1HB CYS 59 19.780 4.598 4.598 1450 HG CYS 59 HG CYS 59 18.986 5.715 5.715 1451 H GLY 60 HN GLY 60 20.308 1.167 1.167 1452 1HA GLY 60 2HA GLY 60 20.168 0.171 0.171 1453 2HA GLY 60 1HA GLY 60 19.012 -0.748 -0.748 1454 H VAL 61 HN VAL 61 20.973 -2.153 -2.153 1455 HA VAL 61 HA VAL 61 23.036 -2.525 -2.525 1456 HB VAL 61 HB VAL 61 23.008 -3.879 -3.879 1457 1HG1 VAL 61 2HG1 VAL 61 25.183 -3.196 -3.196 1458 2HG1 VAL 61 1HG1 VAL 61 25.459 -3.902 -3.902 1459 3HG1 VAL 61 3HG1 VAL 61 24.552 -4.800 -4.800 1460 1HG2 VAL 61 2HG2 VAL 61 23.811 -1.082 -1.082 1461 2HG2 VAL 61 1HG2 VAL 61 22.943 -1.684 -1.684 1462 3HG2 VAL 61 3HG2 VAL 61 24.677 -1.967 -1.967 1463 H LEU 62 HN LEU 62 22.782 -4.105 -4.105 1464 HA LEU 62 HA LEU 62 20.849 -6.225 -6.225 1465 1HB LEU 62 2HB LEU 62 21.306 -4.740 -4.740 1466 2HB LEU 62 1HB LEU 62 22.246 -6.174 -6.174 1467 HG LEU 62 HG LEU 62 20.309 -7.579 -7.579 1468 1HD1 LEU 62 1HD1 LEU 62 19.138 -5.212 -5.212 1469 2HD1 LEU 62 3HD1 LEU 62 18.064 -6.174 -6.174 1470 3HD1 LEU 62 2HD1 LEU 62 18.915 -6.929 -6.929 1471 1HD2 LEU 62 1HD2 LEU 62 20.668 -5.651 -5.651 1472 2HD2 LEU 62 3HD2 LEU 62 19.571 -7.028 -7.028 1473 3HD2 LEU 62 2HD2 LEU 62 18.970 -5.462 -5.462 1474 H ASP 63 HN ASP 63 21.372 -8.455 -8.455 1475 HA ASP 63 HA ASP 63 24.198 -9.081 -9.081 1476 1HB ASP 63 2HB ASP 63 21.691 -10.100 -10.100 1477 2HB ASP 63 1HB ASP 63 22.815 -11.366 -11.366 1478 HA PRO 64 HA PRO 64 24.762 -11.487 -11.487 1479 1HB PRO 64 2HB PRO 64 25.176 -14.065 -14.065 1480 2HB PRO 64 1HB PRO 64 26.419 -12.833 -12.833 1481 1HG PRO 64 2HG PRO 64 24.958 -13.610 -13.610 1482 2HG PRO 64 1HG PRO 64 26.647 -13.110 -13.110 1483 1HD PRO 64 2HD PRO 64 24.816 -11.441 -11.441 1484 2HD PRO 64 1HD PRO 64 26.099 -10.854 -10.854 1485 H LYS 65 HN LYS 65 22.934 -11.640 -11.640 1486 HA LYS 65 HA LYS 65 21.028 -12.502 -12.502 1487 1HB LYS 65 2HB LYS 65 22.492 -14.623 -14.623 1488 2HB LYS 65 1HB LYS 65 21.436 -15.006 -15.006 1489 1HG LYS 65 2HG LYS 65 19.508 -15.015 -15.015 1490 2HG LYS 65 1HG LYS 65 20.502 -14.510 -14.510 1491 1HD LYS 65 2HD LYS 65 21.296 -16.971 -16.971 1492 2HD LYS 65 1HD LYS 65 19.875 -17.054 -17.054 1493 1HE LYS 65 2HE LYS 65 21.521 -17.618 -17.618 1494 2HE LYS 65 1HE LYS 65 21.465 -15.871 -15.871 1495 1HZ LYS 65 1HZ LYS 65 23.280 -16.851 -16.851 1496 2HZ LYS 65 3HZ LYS 65 23.708 -17.195 -17.195 1497 3HZ LYS 65 2HZ LYS 65 23.481 -15.592 -15.592 1498 H GLU 66 HN GLU 66 20.625 -10.850 -10.850 1499 HA GLU 66 HA GLU 66 18.492 -12.162 -12.162 1500 1HB GLU 66 2HB GLU 66 20.504 -10.111 -10.111 1501 2HB GLU 66 1HB GLU 66 18.886 -9.802 -9.802 1502 1HG GLU 66 2HG GLU 66 19.237 -12.430 -12.430 1503 2HG GLU 66 1HG GLU 66 20.866 -11.783 -11.783 1504 H LYS 67 HN LYS 67 16.525 -11.008 -11.008 1505 HA LYS 67 HA LYS 67 15.991 -8.953 -8.953 1506 1HB LYS 67 2HB LYS 67 14.217 -11.202 -11.202 1507 2HB LYS 67 1HB LYS 67 13.639 -9.859 -9.859 1508 1HG LYS 67 2HG LYS 67 14.487 -10.709 -10.709 1509 2HG LYS 67 1HG LYS 67 15.990 -11.201 -11.201 1510 1HD LYS 67 2HD LYS 67 15.026 -13.229 -13.229 1511 2HD LYS 67 1HD LYS 67 14.548 -13.049 -13.049 1512 1HE LYS 67 2HE LYS 67 12.407 -12.005 -12.005 1513 2HE LYS 67 1HE LYS 67 12.889 -12.572 -12.572 1514 1HZ LYS 67 3HZ LYS 67 13.167 -14.786 -14.786 1515 2HZ LYS 67 2HZ LYS 67 11.832 -14.054 -14.054 1516 3HZ LYS 67 1HZ LYS 67 11.796 -14.416 -14.416 1517 H VAL 68 HN VAL 68 14.760 -7.200 -7.200 1518 HA VAL 68 HA VAL 68 13.661 -7.072 -7.072 1519 HB VAL 68 HB VAL 68 14.699 -4.889 -4.889 1520 1HG1 VAL 68 1HG1 VAL 68 16.664 -7.101 -7.101 1521 2HG1 VAL 68 3HG1 VAL 68 16.988 -5.695 -5.695 1522 3HG1 VAL 68 2HG1 VAL 68 15.759 -6.864 -6.864 1523 1HG2 VAL 68 2HG2 VAL 68 16.165 -5.430 -5.430 1524 2HG2 VAL 68 1HG2 VAL 68 15.078 -4.086 -4.086 1525 3HG2 VAL 68 3HG2 VAL 68 16.639 -4.197 -4.197 1526 H LEU 69 HN LEU 69 12.041 -5.498 -5.498 1527 HA LEU 69 HA LEU 69 10.838 -4.613 -4.613 1528 1HB LEU 69 2HB LEU 69 9.668 -5.917 -5.917 1529 2HB LEU 69 1HB LEU 69 9.493 -4.305 -4.305 1530 HG LEU 69 HG LEU 69 8.245 -3.595 -3.595 1531 1HD1 LEU 69 1HD1 LEU 69 8.856 -6.378 -6.378 1532 2HD1 LEU 69 3HD1 LEU 69 7.489 -5.460 -5.460 1533 3HD1 LEU 69 2HD1 LEU 69 9.131 -4.846 -4.846 1534 1HD2 LEU 69 2HD2 LEU 69 7.383 -5.858 -5.858 1535 2HD2 LEU 69 1HD2 LEU 69 6.673 -4.256 -4.256 1536 3HD2 LEU 69 3HD2 LEU 69 6.391 -5.509 -5.509 1537 H MET 70 HN MET 70 10.016 -2.475 -2.475 1538 HA MET 70 HA MET 70 11.155 -0.473 -0.473 1539 1HB MET 70 2HB MET 70 12.611 -0.742 -0.742 1540 2HB MET 70 1HB MET 70 11.246 -0.272 -0.272 1541 1HG MET 70 2HG MET 70 11.337 1.781 1.781 1542 2HG MET 70 1HG MET 70 13.043 1.363 1.363 1543 1HE MET 70 2HE MET 70 12.737 0.035 0.035 1544 2HE MET 70 1HE MET 70 12.953 1.274 1.274 1545 3HE MET 70 3HE MET 70 14.138 1.105 1.105 1546 H ALA 71 HN ALA 71 10.011 1.477 1.477 1547 HA ALA 71 HA ALA 71 7.286 1.361 1.361 1548 1HB ALA 71 3HB ALA 71 7.784 1.337 1.337 1549 2HB ALA 71 2HB ALA 71 7.970 3.076 3.076 1550 3HB ALA 71 1HB ALA 71 6.446 2.291 2.291 1551 H VAL 72 HN VAL 72 6.629 2.929 2.929 1552 HA VAL 72 HA VAL 72 8.327 5.327 5.327 1553 HB VAL 72 HB VAL 72 6.652 4.073 4.073 1554 1HG1 VAL 72 2HG1 VAL 72 6.993 6.503 6.503 1555 2HG1 VAL 72 1HG1 VAL 72 8.737 6.247 6.247 1556 3HG1 VAL 72 3HG1 VAL 72 7.802 5.605 5.605 1557 1HG2 VAL 72 2HG2 VAL 72 8.732 2.796 2.796 1558 2HG2 VAL 72 1HG2 VAL 72 8.539 3.041 3.041 1559 3HG2 VAL 72 3HG2 VAL 72 9.645 4.064 4.064 1560 H SER 73 HN SER 73 7.225 6.758 6.758 1561 HA SER 73 HA SER 73 4.358 6.995 6.995 1562 1HB SER 73 2HB SER 73 5.085 9.201 9.201 1563 2HB SER 73 1HB SER 73 4.998 7.608 7.608 1564 HG SER 73 HG SER 73 7.086 7.627 7.627 1565 H CYS 74 HN CYS 74 3.228 8.200 8.200 1566 HA CYS 74 HA CYS 74 4.669 10.202 10.202 1567 1HB CYS 74 2HB CYS 74 3.635 8.292 8.292 1568 2HB CYS 74 1HB CYS 74 2.059 8.820 8.820 1569 HG CYS 74 HG CYS 74 2.146 10.822 10.822 1570 H ASP 75 HN ASP 75 3.762 12.238 12.238 1571 HA ASP 75 HA ASP 75 1.816 13.048 13.048 1572 1HB ASP 75 2HB ASP 75 4.042 14.425 14.425 1573 2HB ASP 75 1HB ASP 75 2.661 15.399 15.399 1574 H THR 76 HN THR 76 -0.063 14.115 14.115 1575 HA THR 76 HA THR 76 -1.359 13.512 13.512 1576 HB THR 76 HB THR 76 -3.140 14.822 14.822 1577 HG1 THR 76 1HG THR 76 -1.272 16.325 16.325 1578 1HG2 THR 76 1HG2 THR 76 -2.323 13.036 13.036 1579 2HG2 THR 76 3HG2 THR 76 -1.786 14.404 14.404 1580 3HG2 THR 76 2HG2 THR 76 -3.490 14.236 14.236 1581 H PHE 77 HN PHE 77 -1.931 14.737 14.737 1582 HA PHE 77 HA PHE 77 -0.889 17.375 17.375 1583 1HB PHE 77 2HB PHE 77 0.686 16.901 16.901 1584 2HB PHE 77 1HB PHE 77 1.115 15.885 15.885 1585 HD1 PHE 77 2HD PHE 77 0.661 13.470 13.470 1586 HD2 PHE 77 1HD PHE 77 -0.035 15.963 15.963 1587 HE1 PHE 77 2HE PHE 77 0.573 11.481 11.481 1588 HE2 PHE 77 1HE PHE 77 -0.125 13.979 13.979 1589 HZ PHE 77 HZ PHE 77 0.180 11.734 11.734 1590 H ASN 78 HN ASN 78 -0.891 17.410 17.410 1591 HA ASN 78 HA ASN 78 -3.627 16.543 16.543 1592 1HB ASN 78 2HB ASN 78 -2.409 19.102 19.102 1593 2HB ASN 78 1HB ASN 78 -4.097 18.605 18.605 1594 1HD2 ASN 78 2HD2 ASN 78 -2.494 20.336 20.336 1595 2HD2 ASN 78 1HD2 ASN 78 -1.501 19.781 19.781 1596 H ALA 79 HN ALA 79 -3.510 15.052 15.052 1597 HA ALA 79 HA ALA 79 -1.310 15.125 15.125 1598 1HB ALA 79 1HB ALA 79 -1.788 13.033 13.033 1599 2HB ALA 79 3HB ALA 79 -3.349 12.951 12.951 1600 3HB ALA 79 2HB ALA 79 -1.859 12.844 12.844 1601 H ALA 80 HN ALA 80 -3.804 16.858 16.858 1602 HA ALA 80 HA ALA 80 -4.885 16.051 16.051 1603 1HB ALA 80 2HB ALA 80 -6.236 16.739 16.739 1604 2HB ALA 80 1HB ALA 80 -6.236 18.252 18.252 1605 3HB ALA 80 3HB ALA 80 -6.899 16.786 16.786 1606 H THR 81 HN THR 81 -3.057 18.471 18.471 1607 HA THR 81 HA THR 81 -2.758 19.923 19.923 1608 HB THR 81 HB THR 81 -2.899 22.076 22.076 1609 HG1 THR 81 1HG THR 81 -3.237 22.211 22.211 1610 1HG2 THR 81 1HG2 THR 81 -4.955 21.016 21.016 1611 2HG2 THR 81 3HG2 THR 81 -5.348 20.479 20.479 1612 3HG2 THR 81 2HG2 THR 81 -5.234 22.204 22.204 1613 H GLU 82 HN GLU 82 -0.984 18.044 18.044 1614 HA GLU 82 HA GLU 82 1.376 19.705 19.705 1615 1HB GLU 82 2HB GLU 82 0.391 17.871 17.871 1616 2HB GLU 82 1HB GLU 82 2.114 18.161 18.161 1617 1HG GLU 82 2HG GLU 82 1.682 20.588 20.588 1618 2HG GLU 82 1HG GLU 82 -0.009 20.215 20.215 1619 H ASP 83 HN ASP 83 3.260 18.697 18.697 1620 HA ASP 83 HA ASP 83 3.005 16.610 16.610 1621 1HB ASP 83 2HB ASP 83 5.521 17.562 17.562 1622 2HB ASP 83 1HB ASP 83 5.447 16.640 16.640 1623 H LEU 84 HN LEU 84 3.650 14.453 14.453 1624 HA LEU 84 HA LEU 84 4.178 13.310 13.310 1625 1HB LEU 84 2HB LEU 84 2.444 11.917 11.917 1626 2HB LEU 84 1HB LEU 84 2.617 11.577 11.577 1627 HG LEU 84 HG LEU 84 1.346 14.096 14.096 1628 1HD1 LEU 84 2HD1 LEU 84 0.227 11.827 11.827 1629 2HD1 LEU 84 1HD1 LEU 84 -0.201 11.803 11.803 1630 3HD1 LEU 84 3HD1 LEU 84 -0.747 13.128 13.128 1631 1HD2 LEU 84 2HD2 LEU 84 2.270 14.111 14.111 1632 2HD2 LEU 84 1HD2 LEU 84 0.529 14.374 14.374 1633 3HD2 LEU 84 3HD2 LEU 84 1.159 12.800 12.800 1634 H ASN 85 HN ASN 85 6.368 13.640 13.640 1635 HA ASN 85 HA ASN 85 7.220 11.034 11.034 1636 1HB ASN 85 2HB ASN 85 6.336 12.544 12.544 1637 2HB ASN 85 1HB ASN 85 7.998 13.121 13.121 1638 1HD2 ASN 85 2HD2 ASN 85 7.561 10.101 10.101 1639 2HD2 ASN 85 1HD2 ASN 85 6.632 11.545 11.545 1640 H ASN 86 HN ASN 86 7.755 13.038 13.038 1641 HA ASN 86 HA ASN 86 10.662 13.238 13.238 1642 1HB ASN 86 2HB ASN 86 8.736 15.336 15.336 1643 2HB ASN 86 1HB ASN 86 10.338 15.321 15.321 1644 1HD2 ASN 86 2HD2 ASN 86 9.778 16.788 16.788 1645 2HD2 ASN 86 1HD2 ASN 86 8.492 16.265 16.265 1646 H ASP 87 HN ASP 87 8.394 11.664 11.664 1647 HA ASP 87 HA ASP 87 9.743 11.858 11.858 1648 1HB ASP 87 2HB ASP 87 7.040 11.136 11.136 1649 2HB ASP 87 1HB ASP 87 7.693 10.060 10.060 1650 H ARG 88 HN ARG 88 11.435 10.543 10.543 1651 HA ARG 88 HA ARG 88 11.114 7.720 7.720 1652 1HB ARG 88 2HB ARG 88 13.370 7.666 7.666 1653 2HB ARG 88 1HB ARG 88 12.156 8.539 8.539 1654 1HG ARG 88 2HG ARG 88 13.075 10.652 10.652 1655 2HG ARG 88 1HG ARG 88 14.426 9.663 9.663 1656 1HD ARG 88 2HD ARG 88 14.439 8.933 8.933 1657 2HD ARG 88 1HD ARG 88 13.698 10.521 10.521 1658 HE ARG 88 HE ARG 88 16.429 9.951 9.951 1659 1HH1 ARG 88 1HH2 ARG 88 13.858 12.298 12.298 1660 2HH1 ARG 88 2HH2 ARG 88 14.925 13.655 13.655 1661 1HH2 ARG 88 1HH1 ARG 88 17.845 11.730 11.730 1662 2HH2 ARG 88 2HH1 ARG 88 17.193 13.332 13.332 1663 H ILE 89 HN ILE 89 11.984 6.414 6.414 1664 HA ILE 89 HA ILE 89 13.453 7.644 7.644 1665 HB ILE 89 HB ILE 89 12.278 4.868 4.868 1666 1HG1 ILE 89 2HG1 ILE 89 11.288 7.311 7.311 1667 2HG1 ILE 89 1HG1 ILE 89 10.566 6.631 6.631 1668 1HG2 ILE 89 3HG2 ILE 89 14.212 5.025 5.025 1669 2HG2 ILE 89 2HG2 ILE 89 13.363 6.282 6.282 1670 3HG2 ILE 89 1HG2 ILE 89 12.705 4.646 4.646 1671 1HD1 ILE 89 2HD1 ILE 89 10.865 4.799 4.799 1672 2HD1 ILE 89 1HD1 ILE 89 9.690 6.102 6.102 1673 3HD1 ILE 89 3HD1 ILE 89 9.551 4.964 4.964 1674 H THR 90 HN THR 90 15.560 7.309 7.309 1675 HA THR 90 HA THR 90 16.963 5.419 5.419 1676 HB THR 90 HB THR 90 17.983 7.858 7.858 1677 HG1 THR 90 1HG THR 90 18.098 8.752 8.752 1678 1HG2 THR 90 1HG2 THR 90 19.596 5.836 5.836 1679 2HG2 THR 90 3HG2 THR 90 19.576 6.485 6.485 1680 3HG2 THR 90 2HG2 THR 90 20.101 7.501 7.501 1681 H ILE 91 HN ILE 91 17.861 3.665 3.665 1682 HA ILE 91 HA ILE 91 18.264 3.546 3.546 1683 HB ILE 91 HB ILE 91 17.762 1.216 1.216 1684 1HG1 ILE 91 2HG1 ILE 91 15.560 1.187 1.187 1685 2HG1 ILE 91 1HG1 ILE 91 15.920 2.889 2.889 1686 1HG2 ILE 91 1HG2 ILE 91 18.757 1.395 1.395 1687 2HG2 ILE 91 3HG2 ILE 91 17.161 0.645 0.645 1688 3HG2 ILE 91 2HG2 ILE 91 18.432 -0.046 -0.046 1689 1HD1 ILE 91 3HD1 ILE 91 15.851 1.758 1.758 1690 2HD1 ILE 91 2HD1 ILE 91 14.370 2.239 2.239 1691 3HD1 ILE 91 1HD1 ILE 91 15.639 3.426 3.426 1692 H GLU 92 HN GLU 92 20.329 3.587 3.587 1693 HA GLU 92 HA GLU 92 22.315 2.360 2.360 1694 1HB GLU 92 2HB GLU 92 22.814 4.629 4.629 1695 2HB GLU 92 1HB GLU 92 23.931 3.991 3.991 1696 1HG GLU 92 2HG GLU 92 23.152 5.371 5.371 1697 2HG GLU 92 1HG GLU 92 21.504 4.798 4.798 1698 H TRP 93 HN TRP 93 24.222 1.476 1.476 1699 HA TRP 93 HA TRP 93 24.102 0.907 0.907 1700 1HB TRP 93 2HB TRP 93 23.981 -1.500 -1.500 1701 2HB TRP 93 1HB TRP 93 22.582 -0.801 -0.801 1702 HD1 TRP 93 1HD TRP 93 25.325 -3.218 -3.218 1703 HE1 TRP 93 1HE TRP 93 25.411 -3.947 -3.947 1704 HE3 TRP 93 3HE TRP 93 22.229 0.326 0.326 1705 HZ2 TRP 93 2HZ TRP 93 24.311 -3.127 -3.127 1706 HZ3 TRP 93 3HZ TRP 93 21.800 0.283 0.283 1707 HH2 TRP 93 2HH TRP 93 22.820 -1.409 -1.409 1708 H THR 94 HN THR 94 26.100 0.733 0.733 1709 HA THR 94 HA THR 94 28.296 0.059 0.059 1710 HB THR 94 HB THR 94 28.544 2.377 2.377 1711 HG1 THR 94 1HG THR 94 30.331 2.585 2.585 1712 1HG2 THR 94 3HG2 THR 94 27.336 1.990 1.990 1713 2HG2 THR 94 2HG2 THR 94 28.695 3.113 3.113 1714 3HG2 THR 94 1HG2 THR 94 27.324 3.397 3.397 1715 H ASN 95 HN ASN 95 29.911 -1.220 -1.220 1716 HA ASN 95 HA ASN 95 29.373 -2.988 -2.988 1717 1HB ASN 95 2HB ASN 95 31.863 -3.479 -3.479 1718 2HB ASN 95 1HB ASN 95 31.008 -3.604 -3.604 1719 1HD2 ASN 95 2HD2 ASN 95 32.721 -0.994 -0.994 1720 2HD2 ASN 95 1HD2 ASN 95 31.363 -2.061 -2.061 1721 H THR 96 HN THR 96 29.779 -3.068 -3.068 1722 HA THR 96 HA THR 96 30.385 -0.582 -0.582 1723 HB THR 96 HB THR 96 29.909 -1.818 -1.818 1724 HG1 THR 96 1HG THR 96 30.662 -3.830 -3.830 1725 1HG2 THR 96 1HG2 THR 96 28.000 -0.982 -0.982 1726 2HG2 THR 96 3HG2 THR 96 27.883 -2.573 -2.573 1727 3HG2 THR 96 2HG2 THR 96 27.623 -2.396 -2.396 1728 HA PRO 97 HA PRO 97 34.713 -0.978 -0.978 1729 1HB PRO 97 2HB PRO 97 34.080 -0.408 -0.408 1730 2HB PRO 97 1HB PRO 97 35.221 0.398 0.398 1731 1HG PRO 97 2HG PRO 97 32.907 1.551 1.551 1732 2HG PRO 97 1HG PRO 97 33.564 1.662 1.662 1733 1HD PRO 97 2HD PRO 97 31.339 -0.036 -0.036 1734 2HD PRO 97 1HD PRO 97 31.501 0.773 0.773 1735 H ASP 98 HN ASP 98 36.291 -2.207 -2.207 1736 HA ASP 98 HA ASP 98 35.703 -4.887 -4.887 1737 1HB ASP 98 2HB ASP 98 37.862 -3.330 -3.330 1738 2HB ASP 98 1HB ASP 98 37.820 -5.083 -5.083 1739 H GLY 99 HN GLY 99 34.173 -5.730 -5.730 1740 1HA GLY 99 2HA GLY 99 32.919 -6.205 -6.205 1741 2HA GLY 99 1HA GLY 99 34.419 -5.961 -5.961 1742 H ALA 100 HN ALA 100 32.354 -3.695 -3.695 1743 HA ALA 100 HA ALA 100 32.636 -1.629 -1.629 1744 1HB ALA 100 1HB ALA 100 31.348 -2.001 -2.001 1745 2HB ALA 100 3HB ALA 100 30.259 -1.168 -1.168 1746 3HB ALA 100 2HB ALA 100 31.861 -0.506 -0.506 1747 H ALA 101 HN ALA 101 30.588 -0.550 -0.550 1748 HA ALA 101 HA ALA 101 29.494 -2.359 -2.359 1749 1HB ALA 101 3HB ALA 101 29.132 0.559 0.559 1750 2HB ALA 101 2HB ALA 101 28.109 -0.274 -0.274 1751 3HB ALA 101 1HB ALA 101 29.857 -0.222 -0.222 1752 H LYS 102 HN LYS 102 27.164 -2.464 -2.464 1753 HA LYS 102 HA LYS 102 25.726 -3.123 -3.123 1754 1HB LYS 102 2HB LYS 102 25.699 -4.772 -4.772 1755 2HB LYS 102 1HB LYS 102 25.050 -3.589 -3.589 1756 1HG LYS 102 2HG LYS 102 22.989 -4.138 -4.138 1757 2HG LYS 102 1HG LYS 102 23.328 -3.721 -3.721 1758 1HD LYS 102 2HD LYS 102 23.007 -5.887 -5.887 1759 2HD LYS 102 1HD LYS 102 24.577 -6.158 -6.158 1760 1HE LYS 102 2HE LYS 102 23.238 -7.633 -7.633 1761 2HE LYS 102 1HE LYS 102 23.199 -6.214 -6.214 1762 1HZ LYS 102 2HZ LYS 102 21.105 -5.614 -5.614 1763 2HZ LYS 102 1HZ LYS 102 21.099 -7.235 -7.235 1764 3HZ LYS 102 3HZ LYS 102 20.990 -6.840 -6.840 1765 H GLN 103 HN GLN 103 25.694 -0.776 -0.776 1766 HA GLN 103 HA GLN 103 23.115 0.252 0.252 1767 1HB GLN 103 2HB GLN 103 23.618 2.262 2.262 1768 2HB GLN 103 1HB GLN 103 23.535 0.733 0.733 1769 1HG GLN 103 2HG GLN 103 26.152 0.785 0.785 1770 2HG GLN 103 1HG GLN 103 25.838 2.519 2.519 1771 1HE2 GLN 103 2HE2 GLN 103 25.181 2.745 2.745 1772 2HE2 GLN 103 1HE2 GLN 103 24.975 3.484 3.484 1773 H PHE 104 HN PHE 104 22.785 1.816 1.816 1774 HA PHE 104 HA PHE 104 24.668 2.325 2.325 1775 1HB PHE 104 2HB PHE 104 22.186 2.640 2.640 1776 2HB PHE 104 1HB PHE 104 22.356 4.139 4.139 1777 HD1 PHE 104 1HD PHE 104 23.648 2.438 2.438 1778 HD2 PHE 104 2HD PHE 104 22.701 6.118 6.118 1779 HE1 PHE 104 1HE PHE 104 24.127 3.645 3.645 1780 HE2 PHE 104 2HE PHE 104 23.178 7.332 7.332 1781 HZ PHE 104 HZ PHE 104 23.893 6.096 6.096 1782 H ARG 105 HN ARG 105 25.928 4.133 4.133 1783 HA ARG 105 HA ARG 105 26.332 6.140 6.140 1784 1HB ARG 105 2HB ARG 105 28.040 4.043 4.043 1785 2HB ARG 105 1HB ARG 105 28.800 5.169 5.169 1786 1HG ARG 105 2HG ARG 105 28.952 6.845 6.845 1787 2HG ARG 105 1HG ARG 105 28.084 5.799 5.799 1788 1HD ARG 105 2HD ARG 105 29.976 4.109 4.109 1789 2HD ARG 105 1HD ARG 105 30.855 5.498 5.498 1790 HE ARG 105 HE ARG 105 29.860 6.150 6.150 1791 1HH1 ARG 105 1HH2 ARG 105 32.221 4.067 4.067 1792 2HH1 ARG 105 2HH2 ARG 105 33.275 4.064 4.064 1793 1HH2 ARG 105 1HH1 ARG 105 31.241 6.151 6.151 1794 2HH2 ARG 105 2HH1 ARG 105 32.718 5.247 5.247 1795 H ARG 106 HN ARG 106 27.133 8.126 8.126 1796 HA ARG 106 HA ARG 106 26.450 8.791 8.791 1797 1HB ARG 106 2HB ARG 106 26.635 10.194 10.194 1798 2HB ARG 106 1HB ARG 106 28.080 10.733 10.733 1799 1HG ARG 106 2HG ARG 106 26.792 12.205 12.205 1800 2HG ARG 106 1HG ARG 106 26.093 10.848 10.848 1801 1HD ARG 106 2HD ARG 106 24.495 10.598 10.598 1802 2HD ARG 106 1HD ARG 106 25.066 12.180 12.180 1803 HE ARG 106 HE ARG 106 23.263 11.628 11.628 1804 1HH1 ARG 106 1HH2 ARG 106 25.666 13.854 13.854 1805 2HH1 ARG 106 2HH2 ARG 106 25.041 15.204 15.204 1806 1HH2 ARG 106 1HH1 ARG 106 22.430 13.399 13.399 1807 2HH2 ARG 106 2HH1 ARG 106 23.201 14.944 14.944 1808 H GLU 107 HN GLU 107 29.337 7.701 7.701 1809 HA GLU 107 HA GLU 107 31.197 8.914 8.914 1810 1HB GLU 107 2HB GLU 107 31.273 7.029 7.029 1811 2HB GLU 107 1HB GLU 107 32.421 6.622 6.622 1812 1HG GLU 107 2HG GLU 107 33.337 8.897 8.897 1813 2HG GLU 107 1HG GLU 107 32.215 9.259 9.259 1814 H TRP 108 HN TRP 108 28.911 6.529 6.529 1815 HA TRP 108 HA TRP 108 30.522 4.976 4.976 1816 1HB TRP 108 2HB TRP 108 27.582 4.835 4.835 1817 2HB TRP 108 1HB TRP 108 28.409 3.725 3.725 1818 HD1 TRP 108 1HD TRP 108 30.906 4.190 4.190 1819 HE1 TRP 108 1HE TRP 108 30.790 2.416 2.416 1820 HE3 TRP 108 3HE TRP 108 26.204 2.392 2.392 1821 HZ2 TRP 108 2HZ TRP 108 28.946 0.505 0.505 1822 HZ3 TRP 108 3HZ TRP 108 25.338 0.592 0.592 1823 HH2 TRP 108 2HH TRP 108 26.682 -0.332 -0.332 1824 H PHE 109 HN PHE 109 29.580 7.957 7.957 1825 HA PHE 109 HA PHE 109 29.200 7.752 7.752 1826 1HB PHE 109 2HB PHE 109 27.072 8.803 8.803 1827 2HB PHE 109 1HB PHE 109 27.215 9.411 9.411 1828 HD1 PHE 109 1HD PHE 109 26.546 6.420 6.420 1829 HD2 PHE 109 2HD PHE 109 26.488 8.128 8.128 1830 HE1 PHE 109 1HE PHE 109 25.231 4.506 4.506 1831 HE2 PHE 109 2HE PHE 109 25.172 6.219 6.219 1832 HZ PHE 109 HZ PHE 109 24.542 4.404 4.404 1833 H GLN 110 HN GLN 110 31.217 8.771 8.771 1834 HA GLN 110 HA GLN 110 31.108 11.648 11.648 1835 1HB GLN 110 2HB GLN 110 32.597 12.031 12.031 1836 2HB GLN 110 1HB GLN 110 31.270 11.027 11.027 1837 1HG GLN 110 2HG GLN 110 32.666 9.441 9.441 1838 2HG GLN 110 1HG GLN 110 33.419 9.378 9.378 1839 1HE2 GLN 110 2HE2 GLN 110 36.002 11.704 11.704 1840 2HE2 GLN 110 1HE2 GLN 110 34.917 11.301 11.301 1841 H GLY 111 HN GLY 111 32.883 8.699 8.699 1842 1HA GLY 111 2HA GLY 111 35.243 10.020 10.020 1843 2HA GLY 111 1HA GLY 111 34.957 8.287 8.287 1844 H ASP 112 HN ASP 112 36.116 9.218 9.218 1845 HA ASP 112 HA ASP 112 34.030 9.648 9.648 1846 1HB ASP 112 2HB ASP 112 37.002 10.004 10.004 1847 2HB ASP 112 1HB ASP 112 36.196 9.773 9.773 1848 H GLY 113 HN GLY 113 33.690 8.258 8.258 1849 1HA GLY 113 2HA GLY 113 33.830 6.295 6.295 1850 2HA GLY 113 1HA GLY 113 35.257 5.858 5.858 1851 H MET 114 HN MET 114 33.702 3.808 3.808 1852 HA MET 114 HA MET 114 32.500 2.116 2.116 1853 1HB MET 114 2HB MET 114 32.873 3.471 3.471 1854 2HB MET 114 1HB MET 114 32.762 1.751 1.751 1855 1HG MET 114 2HG MET 114 35.050 3.551 3.551 1856 2HG MET 114 1HG MET 114 35.030 2.426 2.426 1857 1HE MET 114 1HE MET 114 37.207 2.566 2.566 1858 2HE MET 114 3HE MET 114 37.484 0.838 0.838 1859 3HE MET 114 2HE MET 114 37.414 1.519 1.519 1860 H VAL 115 HN VAL 115 30.546 1.603 1.603 1861 HA VAL 115 HA VAL 115 28.408 2.012 2.012 1862 HB VAL 115 HB VAL 115 28.668 4.931 4.931 1863 1HG1 VAL 115 3HG1 VAL 115 26.708 3.253 3.253 1864 2HG1 VAL 115 2HG1 VAL 115 27.240 4.537 4.537 1865 3HG1 VAL 115 1HG1 VAL 115 26.586 4.939 4.939 1866 1HG2 VAL 115 2HG2 VAL 115 30.275 3.513 3.513 1867 2HG2 VAL 115 1HG2 VAL 115 30.217 5.247 5.247 1868 3HG2 VAL 115 3HG2 VAL 115 29.148 4.533 4.533 1869 H ARG 116 HN ARG 116 26.943 1.204 1.204 1870 HA ARG 116 HA ARG 116 26.819 2.114 2.114 1871 1HB ARG 116 2HB ARG 116 25.933 -0.299 -0.299 1872 2HB ARG 116 1HB ARG 116 24.956 0.179 0.179 1873 1HG ARG 116 2HG ARG 116 27.931 -0.246 -0.246 1874 2HG ARG 116 1HG ARG 116 26.738 -1.492 -1.492 1875 1HD ARG 116 2HD ARG 116 25.846 -0.163 -0.163 1876 2HD ARG 116 1HD ARG 116 26.897 1.187 1.187 1877 HE ARG 116 HE ARG 116 27.598 -1.133 -1.133 1878 1HH1 ARG 116 1HH2 ARG 116 28.817 1.375 1.375 1879 2HH1 ARG 116 2HH2 ARG 116 30.430 1.289 1.289 1880 1HH2 ARG 116 1HH1 ARG 116 29.719 -1.256 -1.256 1881 2HH2 ARG 116 2HH1 ARG 116 30.944 -0.207 -0.207 1882 H ARG 117 HN ARG 117 24.966 2.943 2.943 1883 HA ARG 117 HA ARG 117 22.847 3.809 3.809 1884 1HB ARG 117 2HB ARG 117 24.345 5.665 5.665 1885 2HB ARG 117 1HB ARG 117 23.879 5.349 5.349 1886 1HG ARG 117 2HG ARG 117 21.644 6.019 6.019 1887 2HG ARG 117 1HG ARG 117 21.896 6.042 6.042 1888 1HD ARG 117 2HD ARG 117 23.236 7.867 7.867 1889 2HD ARG 117 1HD ARG 117 21.875 8.301 8.301 1890 HE ARG 117 HE ARG 117 23.842 7.407 7.407 1891 1HH1 ARG 117 1HH2 ARG 117 23.528 9.928 9.928 1892 2HH1 ARG 117 2HH2 ARG 117 24.632 10.998 10.998 1893 1HH2 ARG 117 1HH1 ARG 117 25.297 8.810 8.810 1894 2HH2 ARG 117 2HH1 ARG 117 25.637 10.363 10.363 1895 H LYS 118 HN LYS 118 20.795 3.438 3.438 1896 HA LYS 118 HA LYS 118 20.261 2.523 2.523 1897 1HB LYS 118 2HB LYS 118 19.514 1.258 1.258 1898 2HB LYS 118 1HB LYS 118 18.444 1.075 1.075 1899 1HG LYS 118 2HG LYS 118 21.180 0.518 0.518 1900 2HG LYS 118 1HG LYS 118 20.657 -0.482 -0.482 1901 1HD LYS 118 2HD LYS 118 19.058 -0.164 -0.164 1902 2HD LYS 118 1HD LYS 118 20.242 -1.449 -1.449 1903 1HE LYS 118 2HE LYS 118 18.396 -1.223 -1.223 1904 2HE LYS 118 1HE LYS 118 17.562 -1.515 -1.515 1905 1HZ LYS 118 2HZ LYS 118 19.914 -3.144 -3.144 1906 2HZ LYS 118 1HZ LYS 118 18.469 -3.483 -3.483 1907 3HZ LYS 118 3HZ LYS 118 18.526 -3.549 -3.549 1908 H ASN 119 HN ASN 119 17.994 2.722 2.722 1909 HA ASN 119 HA ASN 119 16.565 4.832 4.832 1910 1HB ASN 119 2HB ASN 119 16.826 4.718 4.718 1911 2HB ASN 119 1HB ASN 119 16.011 5.964 5.964 1912 1HD2 ASN 119 2HD2 ASN 119 19.002 7.529 7.529 1913 2HD2 ASN 119 1HD2 ASN 119 17.379 7.167 7.167 1914 H LEU 120 HN LEU 120 14.287 4.902 4.902 1915 HA LEU 120 HA LEU 120 13.062 2.618 2.618 1916 1HB LEU 120 2HB LEU 120 13.446 2.725 2.725 1917 2HB LEU 120 1HB LEU 120 11.738 2.986 2.986 1918 HG LEU 120 HG LEU 120 12.209 0.850 0.850 1919 1HD1 LEU 120 2HD1 LEU 120 14.154 0.755 0.755 1920 2HD1 LEU 120 1HD1 LEU 120 13.467 -0.725 -0.725 1921 3HD1 LEU 120 3HD1 LEU 120 14.405 0.357 0.357 1922 1HD2 LEU 120 2HD2 LEU 120 11.093 1.292 1.292 1923 2HD2 LEU 120 1HD2 LEU 120 10.388 0.502 0.502 1924 3HD2 LEU 120 3HD2 LEU 120 11.507 -0.382 -0.382 1925 HA PRO 121 HA PRO 121 10.824 6.454 6.454 1926 1HB PRO 121 2HB PRO 121 9.565 4.401 4.401 1927 2HB PRO 121 1HB PRO 121 10.145 6.023 6.023 1928 1HG PRO 121 2HG PRO 121 11.554 3.877 3.877 1929 2HG PRO 121 1HG PRO 121 12.363 5.345 5.345 1930 1HD PRO 121 2HD PRO 121 11.873 2.764 2.764 1931 2HD PRO 121 1HD PRO 121 13.263 3.862 3.862 1932 H ILE 122 HN ILE 122 8.732 7.149 7.149 1933 HA ILE 122 HA ILE 122 7.036 5.278 5.278 1934 HB ILE 122 HB ILE 122 7.038 8.299 8.299 1935 1HG1 ILE 122 2HG1 ILE 122 9.077 7.163 7.163 1936 2HG1 ILE 122 1HG1 ILE 122 8.161 8.138 8.138 1937 1HG2 ILE 122 1HG2 ILE 122 5.462 6.208 6.208 1938 2HG2 ILE 122 3HG2 ILE 122 5.676 7.838 7.838 1939 3HG2 ILE 122 2HG2 ILE 122 4.871 7.596 7.596 1940 1HD1 ILE 122 3HD1 ILE 122 7.358 5.329 5.329 1941 2HD1 ILE 122 2HD1 ILE 122 9.014 5.603 5.603 1942 3HD1 ILE 122 1HD1 ILE 122 7.673 6.377 6.377 1943 H GLU 123 HN GLU 123 4.792 5.246 5.246 1944 HA GLU 123 HA GLU 123 3.863 6.600 6.600 1945 1HB GLU 123 2HB GLU 123 4.356 3.866 3.866 1946 2HB GLU 123 1HB GLU 123 2.615 4.007 4.007 1947 1HG GLU 123 2HG GLU 123 2.660 5.448 5.448 1948 2HG GLU 123 1HG GLU 123 4.308 4.867 4.867 1949 H TYR 124 HN TYR 124 1.484 6.620 6.620 1950 HA TYR 124 HA TYR 124 0.165 6.642 6.642 1951 1HB TYR 124 2HB TYR 124 -0.123 8.758 8.758 1952 2HB TYR 124 1HB TYR 124 -1.003 8.712 8.712 1953 HD1 TYR 124 2HD TYR 124 0.208 9.092 9.092 1954 HD2 TYR 124 1HD TYR 124 2.114 9.578 9.578 1955 HE1 TYR 124 2HE TYR 124 2.007 10.373 10.373 1956 HE2 TYR 124 1HE TYR 124 3.919 10.860 10.860 1957 HH TYR 124 HH TYR 124 4.637 10.817 10.817 1958 H ASN 125 HN ASN 125 -1.423 5.207 5.207 1959 HA ASN 125 HA ASN 125 -2.851 4.707 4.707 1960 1HB ASN 125 2HB ASN 125 -1.901 2.702 2.702 1961 2HB ASN 125 1HB ASN 125 -2.621 3.054 3.054 1962 1HD2 ASN 125 2HD2 ASN 125 -5.217 0.924 0.924 1963 2HD2 ASN 125 1HD2 ASN 125 -3.927 1.348 1.348 1964 H LEU 126 HN LEU 126 -4.103 6.648 6.648 1965 HA LEU 126 HA LEU 126 -5.741 7.219 7.219 1966 1HB LEU 126 2HB LEU 126 -6.060 7.938 7.938 1967 2HB LEU 126 1HB LEU 126 -7.046 8.605 8.605 1968 HG LEU 126 HG LEU 126 -4.051 8.886 8.886 1969 1HD1 LEU 126 1HD1 LEU 126 -6.113 10.548 10.548 1970 2HD1 LEU 126 3HD1 LEU 126 -4.578 11.230 11.230 1971 3HD1 LEU 126 2HD1 LEU 126 -4.595 9.902 9.902 1972 1HD2 LEU 126 1HD2 LEU 126 -5.254 9.291 9.291 1973 2HD2 LEU 126 3HD2 LEU 126 -4.513 10.760 10.760 1974 3HD2 LEU 126 2HD2 LEU 126 -6.248 10.499 10.499 Start of MODEL 18 1 1H ALA 1 1HN ALA 1 -42.452 2.605 2.605 2 2H ALA 1 3HN ALA 1 -42.039 2.198 2.198 3 3H ALA 1 2HN ALA 1 -40.868 2.916 2.916 4 HA ALA 1 HA ALA 1 -40.237 0.788 0.788 5 1HB ALA 1 2HB ALA 1 -43.104 0.249 0.249 6 2HB ALA 1 1HB ALA 1 -42.176 -0.997 -0.997 7 3HB ALA 1 3HB ALA 1 -41.661 -0.430 -0.430 8 H GLN 2 HN GLN 2 -39.474 1.509 1.509 9 HA GLN 2 HA GLN 2 -40.856 0.315 0.315 10 1HB GLN 2 2HB GLN 2 -40.509 3.230 3.230 11 2HB GLN 2 1HB GLN 2 -40.138 2.619 2.619 12 1HG GLN 2 2HG GLN 2 -42.712 1.927 1.927 13 2HG GLN 2 1HG GLN 2 -42.515 3.448 3.448 14 1HE2 GLN 2 2HE2 GLN 2 -43.783 1.652 1.652 15 2HE2 GLN 2 1HE2 GLN 2 -44.117 2.801 2.801 16 H SER 3 HN SER 3 -38.111 2.483 2.483 17 HA SER 3 HA SER 3 -36.194 0.497 0.497 18 1HB SER 3 2HB SER 3 -37.024 2.587 2.587 19 2HB SER 3 1HB SER 3 -35.297 2.257 2.257 20 HG SER 3 HG SER 3 -37.328 0.694 0.694 21 H VAL 4 HN VAL 4 -36.035 4.004 4.004 22 HA VAL 4 HA VAL 4 -34.567 5.538 5.538 23 HB VAL 4 HB VAL 4 -34.573 5.659 5.659 24 1HG1 VAL 4 2HG1 VAL 4 -36.108 6.904 6.904 25 2HG1 VAL 4 1HG1 VAL 4 -37.258 5.571 5.571 26 3HG1 VAL 4 3HG1 VAL 4 -36.835 6.496 6.496 27 1HG2 VAL 4 1HG2 VAL 4 -34.985 3.271 3.271 28 2HG2 VAL 4 3HG2 VAL 4 -36.200 4.295 4.295 29 3HG2 VAL 4 2HG2 VAL 4 -36.584 3.429 3.429 30 HA PRO 5 HA PRO 5 -30.832 2.986 2.986 31 1HB PRO 5 2HB PRO 5 -29.157 4.748 4.748 32 2HB PRO 5 1HB PRO 5 -30.228 3.697 3.697 33 1HG PRO 5 2HG PRO 5 -30.578 6.576 6.576 34 2HG PRO 5 1HG PRO 5 -30.889 5.776 5.776 35 1HD PRO 5 2HD PRO 5 -32.855 6.362 6.362 36 2HD PRO 5 1HD PRO 5 -32.938 4.982 4.982 37 HA PRO 6 HA PRO 6 -29.676 4.873 4.873 38 1HB PRO 6 2HB PRO 6 -27.300 3.120 3.120 39 2HB PRO 6 1HB PRO 6 -28.390 3.267 3.267 40 1HG PRO 6 2HG PRO 6 -28.531 1.160 1.160 41 2HG PRO 6 1HG PRO 6 -30.000 1.898 1.898 42 1HD PRO 6 2HD PRO 6 -28.844 2.119 2.119 43 2HD PRO 6 1HD PRO 6 -30.544 2.028 2.028 44 H GLY 7 HN GLY 7 -28.422 6.588 6.588 45 1HA GLY 7 2HA GLY 7 -26.983 7.978 7.978 46 2HA GLY 7 1HA GLY 7 -26.953 8.332 8.332 47 H ASP 8 HN ASP 8 -24.923 7.960 7.960 48 HA ASP 8 HA ASP 8 -23.184 5.887 5.887 49 1HB ASP 8 2HB ASP 8 -22.350 8.694 8.694 50 2HB ASP 8 1HB ASP 8 -21.465 7.206 7.206 51 H ILE 9 HN ILE 9 -21.849 5.365 5.365 52 HA ILE 9 HA ILE 9 -21.508 7.289 7.289 53 HB ILE 9 HB ILE 9 -20.898 5.371 5.371 54 1HG1 ILE 9 2HG1 ILE 9 -21.708 3.156 3.156 55 2HG1 ILE 9 1HG1 ILE 9 -20.676 4.079 4.079 56 1HG2 ILE 9 1HG2 ILE 9 -23.466 5.710 5.710 57 2HG2 ILE 9 3HG2 ILE 9 -23.232 4.079 4.079 58 3HG2 ILE 9 2HG2 ILE 9 -23.091 5.467 5.467 59 1HD1 ILE 9 3HD1 ILE 9 -19.187 4.116 4.116 60 2HD1 ILE 9 2HD1 ILE 9 -20.002 2.561 2.561 61 3HD1 ILE 9 1HD1 ILE 9 -19.041 2.905 2.905 62 H ASN 10 HN ASN 10 -19.510 7.839 7.839 63 HA ASN 10 HA ASN 10 -17.306 7.610 7.610 64 1HB ASN 10 2HB ASN 10 -18.045 9.318 9.318 65 2HB ASN 10 1HB ASN 10 -16.449 8.659 8.659 66 1HD2 ASN 10 2HD2 ASN 10 -17.000 11.045 11.045 67 2HD2 ASN 10 1HD2 ASN 10 -18.314 10.134 10.134 68 H THR 11 HN THR 11 -15.276 6.657 6.657 69 HA THR 11 HA THR 11 -15.096 4.833 4.833 70 HB THR 11 HB THR 11 -14.126 3.130 3.130 71 HG1 THR 11 1HG THR 11 -15.406 3.295 3.295 72 1HG2 THR 11 2HG2 THR 11 -17.086 3.580 3.580 73 2HG2 THR 11 1HG2 THR 11 -16.326 2.112 2.112 74 3HG2 THR 11 3HG2 THR 11 -16.064 2.607 2.607 75 H GLN 12 HN GLN 12 -12.978 4.232 4.232 76 HA GLN 12 HA GLN 12 -10.774 5.412 5.412 77 1HB GLN 12 2HB GLN 12 -11.381 6.071 6.071 78 2HB GLN 12 1HB GLN 12 -9.840 6.407 6.407 79 1HG GLN 12 2HG GLN 12 -12.357 7.440 7.440 80 2HG GLN 12 1HG GLN 12 -11.661 8.257 8.257 81 1HE2 GLN 12 2HE2 GLN 12 -10.251 10.016 10.016 82 2HE2 GLN 12 1HE2 GLN 12 -11.746 9.859 9.859 83 HA PRO 13 HA PRO 13 -9.131 4.542 4.542 84 1HB PRO 13 2HB PRO 13 -8.884 2.213 2.213 85 2HB PRO 13 1HB PRO 13 -7.573 2.942 2.942 86 1HG PRO 13 2HG PRO 13 -9.414 0.705 0.705 87 2HG PRO 13 1HG PRO 13 -7.666 0.854 0.854 88 1HD PRO 13 2HD PRO 13 -9.436 1.312 1.312 89 2HD PRO 13 1HD PRO 13 -7.933 2.248 2.248 90 H SER 14 HN SER 14 -10.201 4.652 4.652 91 HA SER 14 HA SER 14 -12.964 3.644 3.644 92 1HB SER 14 2HB SER 14 -12.578 5.773 5.773 93 2HB SER 14 1HB SER 14 -13.672 5.701 5.701 94 HG SER 14 HG SER 14 -12.225 7.383 7.383 95 H GLN 15 HN GLN 15 -10.022 3.531 3.531 96 HA GLN 15 HA GLN 15 -11.381 2.417 2.417 97 1HB GLN 15 2HB GLN 15 -8.484 3.226 3.226 98 2HB GLN 15 1HB GLN 15 -9.364 2.835 2.835 99 1HG GLN 15 2HG GLN 15 -10.807 4.906 4.906 100 2HG GLN 15 1HG GLN 15 -9.112 5.347 5.347 101 1HE2 GLN 15 2HE2 GLN 15 -9.119 6.677 6.677 102 2HE2 GLN 15 1HE2 GLN 15 -8.807 6.864 6.864 103 H LYS 16 HN LYS 16 -8.683 1.787 1.787 104 HA LYS 16 HA LYS 16 -9.215 -0.987 -0.987 105 1HB LYS 16 2HB LYS 16 -7.144 -1.788 -1.788 106 2HB LYS 16 1HB LYS 16 -8.331 -1.095 -1.095 107 1HG LYS 16 2HG LYS 16 -7.062 0.988 0.988 108 2HG LYS 16 1HG LYS 16 -5.874 0.300 0.300 109 1HD LYS 16 2HD LYS 16 -5.723 -1.591 -1.591 110 2HD LYS 16 1HD LYS 16 -6.407 -0.361 -0.361 111 1HE LYS 16 2HE LYS 16 -4.546 1.163 1.163 112 2HE LYS 16 1HE LYS 16 -3.811 -0.286 -0.286 113 1HZ LYS 16 1HZ LYS 16 -4.568 -0.115 -0.115 114 2HZ LYS 16 3HZ LYS 16 -3.056 0.401 0.401 115 3HZ LYS 16 2HZ LYS 16 -3.520 -1.215 -1.215 116 H ILE 17 HN ILE 17 -7.057 -2.144 -2.144 117 HA ILE 17 HA ILE 17 -5.682 -0.328 -0.328 118 HB ILE 17 HB ILE 17 -7.510 -1.332 -1.332 119 1HG1 ILE 17 2HG1 ILE 17 -4.995 -2.759 -2.759 120 2HG1 ILE 17 1HG1 ILE 17 -5.135 -1.007 -1.007 121 1HG2 ILE 17 3HG2 ILE 17 -7.663 -3.368 -3.368 122 2HG2 ILE 17 2HG2 ILE 17 -6.294 -4.023 -4.023 123 3HG2 ILE 17 1HG2 ILE 17 -7.807 -3.670 -3.670 124 1HD1 ILE 17 1HD1 ILE 17 -7.389 -2.415 -2.415 125 2HD1 ILE 17 3HD1 ILE 17 -5.840 -2.790 -2.790 126 3HD1 ILE 17 2HD1 ILE 17 -6.386 -1.116 -1.116 127 H VAL 18 HN VAL 18 -3.565 -0.812 -0.812 128 HA VAL 18 HA VAL 18 -2.515 -3.269 -3.269 129 HB VAL 18 HB VAL 18 -1.152 -0.576 -0.576 130 1HG1 VAL 18 1HG1 VAL 18 -0.255 -3.247 -3.247 131 2HG1 VAL 18 3HG1 VAL 18 0.492 -1.729 -1.729 132 3HG1 VAL 18 2HG1 VAL 18 0.534 -2.224 -2.224 133 1HG2 VAL 18 3HG2 VAL 18 -2.787 -1.925 -1.925 134 2HG2 VAL 18 2HG2 VAL 18 -2.546 -0.207 -0.207 135 3HG2 VAL 18 1HG2 VAL 18 -1.319 -1.125 -1.125 136 H PHE 19 HN PHE 19 -2.465 -4.450 -4.450 137 HA PHE 19 HA PHE 19 -1.477 -3.549 -3.549 138 1HB PHE 19 2HB PHE 19 -1.719 -6.296 -6.296 139 2HB PHE 19 1HB PHE 19 -1.074 -6.053 -6.053 140 HD1 PHE 19 1HD PHE 19 -4.056 -5.479 -5.479 141 HD2 PHE 19 2HD PHE 19 -2.499 -5.766 -5.766 142 HE1 PHE 19 1HE PHE 19 -6.346 -5.445 -5.445 143 HE2 PHE 19 2HE PHE 19 -4.786 -5.732 -5.732 144 HZ PHE 19 HZ PHE 19 -6.713 -5.572 -5.572 145 H ASN 20 HN ASN 20 0.462 -2.568 -2.568 146 HA ASN 20 HA ASN 20 2.707 -3.348 -3.348 147 1HB ASN 20 2HB ASN 20 2.036 -1.095 -1.095 148 2HB ASN 20 1HB ASN 20 3.236 -1.801 -1.801 149 1HD2 ASN 20 2HD2 ASN 20 5.891 -0.685 -0.685 150 2HD2 ASN 20 1HD2 ASN 20 5.240 -1.221 -1.221 151 H ALA 21 HN ALA 21 4.449 -4.573 -4.573 152 HA ALA 21 HA ALA 21 4.241 -6.640 -6.640 153 1HB ALA 21 1HB ALA 21 6.034 -5.863 -5.863 154 2HB ALA 21 3HB ALA 21 6.978 -6.240 -6.240 155 3HB ALA 21 2HB ALA 21 5.865 -7.437 -7.437 156 HA PRO 22 HA PRO 22 6.209 -7.840 -7.840 157 1HB PRO 22 2HB PRO 22 6.933 -8.770 -8.770 158 2HB PRO 22 1HB PRO 22 8.033 -8.302 -8.302 159 1HG PRO 22 2HG PRO 22 7.699 -6.997 -6.997 160 2HG PRO 22 1HG PRO 22 8.589 -6.389 -6.389 161 1HD PRO 22 2HD PRO 22 5.837 -5.742 -5.742 162 2HD PRO 22 1HD PRO 22 7.015 -4.720 -4.720 163 H TYR 23 HN TYR 23 5.260 -9.904 -9.904 164 HA TYR 23 HA TYR 23 2.663 -9.559 -9.559 165 1HB TYR 23 2HB TYR 23 3.672 -11.591 -11.591 166 2HB TYR 23 1HB TYR 23 2.117 -11.735 -11.735 167 HD1 TYR 23 2HD TYR 23 0.840 -9.269 -9.269 168 HD2 TYR 23 1HD TYR 23 3.486 -10.860 -10.860 169 HE1 TYR 23 2HE TYR 23 -0.190 -7.831 -7.831 170 HE2 TYR 23 1HE TYR 23 2.465 -9.424 -9.424 171 HH TYR 23 HH TYR 23 -0.446 -7.682 -7.682 172 H ASP 24 HN ASP 24 4.685 -9.729 -9.729 173 HA ASP 24 HA ASP 24 4.454 -12.477 -12.477 174 1HB ASP 24 2HB ASP 24 6.723 -10.527 -10.527 175 2HB ASP 24 1HB ASP 24 6.615 -12.156 -12.156 176 H ASP 25 HN ASP 25 3.261 -9.464 -9.464 177 HA ASP 25 HA ASP 25 2.796 -9.975 -9.975 178 1HB ASP 25 2HB ASP 25 3.212 -7.671 -7.671 179 2HB ASP 25 1HB ASP 25 4.640 -8.310 -8.310 180 H LYS 26 HN LYS 26 0.864 -9.057 -9.057 181 HA LYS 26 HA LYS 26 -1.307 -9.085 -9.085 182 1HB LYS 26 2HB LYS 26 -0.927 -8.485 -8.485 183 2HB LYS 26 1HB LYS 26 -2.398 -7.879 -7.879 184 1HG LYS 26 2HG LYS 26 -2.234 -10.499 -10.499 185 2HG LYS 26 1HG LYS 26 -1.699 -10.567 -10.567 186 1HD LYS 26 2HD LYS 26 -3.822 -8.985 -8.985 187 2HD LYS 26 1HD LYS 26 -4.348 -9.855 -9.855 188 1HE LYS 26 2HE LYS 26 -4.115 -11.965 -11.965 189 2HE LYS 26 1HE LYS 26 -3.370 -11.196 -11.196 190 1HZ LYS 26 2HZ LYS 26 -6.160 -10.743 -10.743 191 2HZ LYS 26 1HZ LYS 26 -5.707 -11.737 -11.737 192 3HZ LYS 26 3HZ LYS 26 -5.440 -10.068 -10.068 193 H HIS 27 HN HIS 27 -1.986 -7.572 -7.572 194 HA HIS 27 HA HIS 27 -1.259 -4.770 -4.770 195 1HB HIS 27 2HB HIS 27 -1.416 -6.364 -6.364 196 2HB HIS 27 1HB HIS 27 -1.802 -4.649 -4.649 197 HD1 HIS 27 1HD HIS 27 0.230 -3.095 -3.095 198 HD2 HIS 27 2HD HIS 27 1.184 -6.866 -6.866 199 HE1 HIS 27 1HE HIS 27 2.738 -3.118 -3.118 200 H THR 28 HN THR 28 -3.006 -3.970 -3.970 201 HA THR 28 HA THR 28 -5.669 -4.457 -4.457 202 HB THR 28 HB THR 28 -4.848 -3.200 -3.200 203 HG1 THR 28 1HG THR 28 -5.086 -5.124 -5.124 204 1HG2 THR 28 2HG2 THR 28 -7.525 -3.674 -3.674 205 2HG2 THR 28 1HG2 THR 28 -7.314 -3.779 -3.779 206 3HG2 THR 28 3HG2 THR 28 -6.928 -2.281 -2.281 207 H TYR 29 HN TYR 29 -6.223 -3.055 -3.055 208 HA TYR 29 HA TYR 29 -5.241 -0.309 -0.309 209 1HB TYR 29 2HB TYR 29 -6.780 -1.833 -1.833 210 2HB TYR 29 1HB TYR 29 -6.301 -0.146 -0.146 211 HD1 TYR 29 1HD TYR 29 -4.951 -3.581 -3.581 212 HD2 TYR 29 2HD TYR 29 -4.161 0.421 0.421 213 HE1 TYR 29 1HE TYR 29 -2.779 -4.291 -4.291 214 HE2 TYR 29 2HE TYR 29 -1.988 -0.278 -0.278 215 HH TYR 29 HH TYR 29 -0.868 -2.253 -2.253 216 H HIS 30 HN HIS 30 -6.748 1.446 1.446 217 HA HIS 30 HA HIS 30 -9.359 1.036 1.036 218 1HB HIS 30 2HB HIS 30 -7.867 3.655 3.655 219 2HB HIS 30 1HB HIS 30 -9.231 3.203 3.203 220 HD1 HIS 30 1HD HIS 30 -5.857 3.871 3.871 221 HD2 HIS 30 2HD HIS 30 -8.257 0.664 0.664 222 HE1 HIS 30 1HE HIS 30 -4.673 2.725 2.725 223 H ILE 31 HN ILE 31 -10.874 1.003 1.003 224 HA ILE 31 HA ILE 31 -10.569 2.620 2.620 225 HB ILE 31 HB ILE 31 -12.889 0.808 0.808 226 1HG1 ILE 31 2HG1 ILE 31 -10.992 -0.606 -0.606 227 2HG1 ILE 31 1HG1 ILE 31 -11.597 -0.917 -0.917 228 1HG2 ILE 31 3HG2 ILE 31 -13.140 2.342 2.342 229 2HG2 ILE 31 2HG2 ILE 31 -11.661 1.704 1.704 230 3HG2 ILE 31 1HG2 ILE 31 -13.073 0.665 0.665 231 1HD1 ILE 31 1HD1 ILE 31 -9.815 0.943 0.943 232 2HD1 ILE 31 3HD1 ILE 31 -9.075 0.354 0.354 233 3HD1 ILE 31 2HD1 ILE 31 -9.386 -0.760 -0.760 234 H LYS 32 HN LYS 32 -11.907 4.280 4.280 235 HA LYS 32 HA LYS 32 -13.733 5.265 5.265 236 1HB LYS 32 2HB LYS 32 -11.552 6.541 6.541 237 2HB LYS 32 1HB LYS 32 -12.870 7.193 7.193 238 1HG LYS 32 2HG LYS 32 -13.523 8.514 8.514 239 2HG LYS 32 1HG LYS 32 -13.562 7.168 7.168 240 1HD LYS 32 2HD LYS 32 -10.992 7.426 7.426 241 2HD LYS 32 1HD LYS 32 -11.297 9.016 9.016 242 1HE LYS 32 2HE LYS 32 -13.040 8.534 8.534 243 2HE LYS 32 1HE LYS 32 -11.354 8.309 8.309 244 1HZ LYS 32 2HZ LYS 32 -12.402 10.712 10.712 245 2HZ LYS 32 1HZ LYS 32 -12.150 10.610 10.610 246 3HZ LYS 32 3HZ LYS 32 -10.839 10.497 10.497 247 H ILE 33 HN ILE 33 -15.819 5.472 5.472 248 HA ILE 33 HA ILE 33 -16.638 5.531 5.531 249 HB ILE 33 HB ILE 33 -18.015 3.976 3.976 250 1HG1 ILE 33 2HG1 ILE 33 -16.771 2.807 2.807 251 2HG1 ILE 33 1HG1 ILE 33 -15.799 3.099 3.099 252 1HG2 ILE 33 1HG2 ILE 33 -18.709 4.543 4.543 253 2HG2 ILE 33 3HG2 ILE 33 -19.292 3.086 3.086 254 3HG2 ILE 33 2HG2 ILE 33 -19.721 4.673 4.673 255 1HD1 ILE 33 1HD1 ILE 33 -17.653 1.745 1.745 256 2HD1 ILE 33 3HD1 ILE 33 -18.028 1.166 1.166 257 3HD1 ILE 33 2HD1 ILE 33 -16.422 0.903 0.903 258 H THR 34 HN THR 34 -18.646 6.600 6.600 259 HA THR 34 HA THR 34 -19.864 8.096 8.096 260 HB THR 34 HB THR 34 -18.532 9.430 9.430 261 HG1 THR 34 1HG THR 34 -17.042 9.236 9.236 262 1HG2 THR 34 2HG2 THR 34 -20.245 10.687 10.687 263 2HG2 THR 34 1HG2 THR 34 -19.298 11.549 11.549 264 3HG2 THR 34 3HG2 THR 34 -20.653 10.534 10.534 265 H ASN 35 HN ASN 35 -21.856 9.146 9.146 266 HA ASN 35 HA ASN 35 -23.161 7.776 7.776 267 1HB ASN 35 2HB ASN 35 -24.117 7.411 7.411 268 2HB ASN 35 1HB ASN 35 -24.441 9.139 9.139 269 1HD2 ASN 35 2HD2 ASN 35 -26.540 7.060 7.060 270 2HD2 ASN 35 1HD2 ASN 35 -24.857 6.752 6.752 271 H ALA 36 HN ALA 36 -22.115 9.377 9.377 272 HA ALA 36 HA ALA 36 -22.625 12.117 12.117 273 1HB ALA 36 2HB ALA 36 -21.084 10.616 10.616 274 2HB ALA 36 1HB ALA 36 -22.455 10.763 10.763 275 3HB ALA 36 3HB ALA 36 -21.636 12.210 12.210 276 H GLY 37 HN GLY 37 -24.644 9.463 9.463 277 1HA GLY 37 2HA GLY 37 -26.457 10.644 10.644 278 2HA GLY 37 1HA GLY 37 -26.869 9.385 9.385 279 H GLY 38 HN GLY 38 -26.962 10.335 10.335 280 1HA GLY 38 2HA GLY 38 -27.537 12.388 12.388 281 2HA GLY 38 1HA GLY 38 -28.521 12.843 12.843 282 H ARG 39 HN ARG 39 -28.528 9.531 9.531 283 HA ARG 39 HA ARG 39 -30.881 9.835 9.835 284 1HB ARG 39 2HB ARG 39 -31.107 7.987 7.987 285 2HB ARG 39 1HB ARG 39 -32.384 8.659 8.659 286 1HG ARG 39 2HG ARG 39 -31.904 10.889 10.889 287 2HG ARG 39 1HG ARG 39 -30.756 10.111 10.111 288 1HD ARG 39 2HD ARG 39 -33.569 9.117 9.117 289 2HD ARG 39 1HD ARG 39 -33.200 10.550 10.550 290 HE ARG 39 HE ARG 39 -32.555 7.826 7.826 291 1HH1 ARG 39 1HH2 ARG 39 -31.689 11.162 11.162 292 2HH1 ARG 39 2HH2 ARG 39 -30.925 10.870 10.870 293 1HH2 ARG 39 1HH1 ARG 39 -31.551 7.430 7.430 294 2HH2 ARG 39 2HH1 ARG 39 -30.847 8.749 8.749 295 H ARG 40 HN ARG 40 -31.530 7.802 7.802 296 HA ARG 40 HA ARG 40 -29.382 6.379 6.379 297 1HB ARG 40 2HB ARG 40 -31.862 6.600 6.600 298 2HB ARG 40 1HB ARG 40 -32.112 5.149 5.149 299 1HG ARG 40 2HG ARG 40 -30.371 4.007 4.007 300 2HG ARG 40 1HG ARG 40 -30.191 5.458 5.458 301 1HD ARG 40 2HD ARG 40 -32.483 3.541 3.541 302 2HD ARG 40 1HD ARG 40 -31.624 4.140 4.140 303 HE ARG 40 HE ARG 40 -33.839 5.392 5.392 304 1HH1 ARG 40 1HH2 ARG 40 -31.115 5.863 5.863 305 2HH1 ARG 40 2HH2 ARG 40 -31.764 7.295 7.295 306 1HH2 ARG 40 1HH1 ARG 40 -34.703 7.277 7.277 307 2HH2 ARG 40 2HH1 ARG 40 -33.804 8.097 8.097 308 H ILE 41 HN ILE 41 -28.619 4.261 4.261 309 HA ILE 41 HA ILE 41 -29.557 2.742 2.742 310 HB ILE 41 HB ILE 41 -27.239 2.606 2.606 311 1HG1 ILE 41 2HG1 ILE 41 -26.688 5.245 5.245 312 2HG1 ILE 41 1HG1 ILE 41 -26.314 3.762 3.762 313 1HG2 ILE 41 3HG2 ILE 41 -29.107 3.924 3.924 314 2HG2 ILE 41 2HG2 ILE 41 -28.496 5.341 5.341 315 3HG2 ILE 41 1HG2 ILE 41 -27.507 4.561 4.561 316 1HD1 ILE 41 2HD1 ILE 41 -24.908 3.052 3.052 317 2HD1 ILE 41 1HD1 ILE 41 -25.221 4.609 4.609 318 3HD1 ILE 41 3HD1 ILE 41 -24.353 4.540 4.540 319 H GLY 42 HN GLY 42 -28.246 0.705 0.705 320 1HA GLY 42 2HA GLY 42 -27.113 -0.182 -0.182 321 2HA GLY 42 1HA GLY 42 -28.285 -1.166 -1.166 322 H TRP 43 HN TRP 43 -24.991 -0.255 -0.255 323 HA TRP 43 HA TRP 43 -24.253 -1.591 -1.591 324 1HB TRP 43 2HB TRP 43 -21.966 -0.773 -0.773 325 2HB TRP 43 1HB TRP 43 -23.156 0.523 0.523 326 HD1 TRP 43 1HD TRP 43 -23.936 1.613 1.613 327 HE1 TRP 43 1HE TRP 43 -22.643 1.853 1.853 328 HE3 TRP 43 3HE TRP 43 -20.264 -1.844 -1.844 329 HZ2 TRP 43 2HZ TRP 43 -20.364 0.723 0.723 330 HZ3 TRP 43 3HZ TRP 43 -18.566 -2.204 -2.204 331 HH2 TRP 43 2HH TRP 43 -18.616 -0.945 -0.945 332 H ALA 44 HN ALA 44 -22.592 -3.203 -3.203 333 HA ALA 44 HA ALA 44 -21.954 -4.604 -4.604 334 1HB ALA 44 1HB ALA 44 -23.913 -5.641 -5.641 335 2HB ALA 44 3HB ALA 44 -22.780 -6.784 -6.784 336 3HB ALA 44 2HB ALA 44 -23.858 -5.841 -5.841 337 H ILE 45 HN ILE 45 -19.948 -5.401 -5.401 338 HA ILE 45 HA ILE 45 -18.609 -5.353 -5.353 339 HB ILE 45 HB ILE 45 -17.357 -5.897 -5.897 340 1HG1 ILE 45 2HG1 ILE 45 -18.471 -3.742 -3.742 341 2HG1 ILE 45 1HG1 ILE 45 -16.733 -3.494 -3.494 342 1HG2 ILE 45 1HG2 ILE 45 -16.377 -5.534 -5.534 343 2HG2 ILE 45 3HG2 ILE 45 -15.471 -4.688 -4.688 344 3HG2 ILE 45 2HG2 ILE 45 -15.682 -6.437 -6.437 345 1HD1 ILE 45 2HD1 ILE 45 -17.712 -3.505 -3.505 346 2HD1 ILE 45 1HD1 ILE 45 -18.823 -2.517 -2.517 347 3HD1 ILE 45 3HD1 ILE 45 -17.101 -2.135 -2.135 348 H LYS 46 HN LYS 46 -17.632 -7.091 -7.091 349 HA LYS 46 HA LYS 46 -17.743 -9.695 -9.695 350 1HB LYS 46 2HB LYS 46 -19.149 -9.022 -9.022 351 2HB LYS 46 1HB LYS 46 -18.706 -10.670 -10.670 352 1HG LYS 46 2HG LYS 46 -19.997 -10.057 -10.057 353 2HG LYS 46 1HG LYS 46 -20.791 -8.904 -8.904 354 1HD LYS 46 2HD LYS 46 -22.025 -10.516 -10.516 355 2HD LYS 46 1HD LYS 46 -20.589 -11.474 -11.474 356 1HE LYS 46 2HE LYS 46 -20.615 -12.307 -12.307 357 2HE LYS 46 1HE LYS 46 -22.118 -11.425 -11.425 358 1HZ LYS 46 1HZ LYS 46 -22.888 -12.776 -12.776 359 2HZ LYS 46 3HZ LYS 46 -21.634 -13.824 -13.824 360 3HZ LYS 46 2HZ LYS 46 -22.888 -13.500 -13.500 361 H THR 47 HN THR 47 -16.010 -10.920 -10.920 362 HA THR 47 HA THR 47 -14.273 -10.023 -10.023 363 HB THR 47 HB THR 47 -12.359 -10.629 -10.629 364 HG1 THR 47 1HG THR 47 -12.452 -11.803 -11.803 365 1HG2 THR 47 3HG2 THR 47 -13.395 -8.486 -8.486 366 2HG2 THR 47 2HG2 THR 47 -14.230 -9.345 -9.345 367 3HG2 THR 47 1HG2 THR 47 -12.468 -9.264 -9.264 368 H THR 48 HN THR 48 -13.040 -11.642 -11.642 369 HA THR 48 HA THR 48 -14.542 -13.934 -13.934 370 HB THR 48 HB THR 48 -12.291 -14.578 -14.578 371 HG1 THR 48 1HG THR 48 -10.710 -13.312 -13.312 372 1HG2 THR 48 3HG2 THR 48 -14.303 -13.463 -13.463 373 2HG2 THR 48 2HG2 THR 48 -13.422 -11.948 -11.948 374 3HG2 THR 48 1HG2 THR 48 -12.736 -13.241 -13.241 375 H ASN 49 HN ASN 49 -11.825 -13.397 -13.397 376 HA ASN 49 HA ASN 49 -12.054 -16.196 -16.196 377 1HB ASN 49 2HB ASN 49 -9.779 -14.895 -14.895 378 2HB ASN 49 1HB ASN 49 -9.485 -15.091 -15.091 379 1HD2 ASN 49 2HD2 ASN 49 -8.417 -18.321 -18.321 380 2HD2 ASN 49 1HD2 ASN 49 -8.192 -16.772 -16.772 381 H MET 50 HN MET 50 -12.992 -16.229 -16.229 382 HA MET 50 HA MET 50 -12.611 -13.978 -13.978 383 1HB MET 50 2HB MET 50 -14.589 -16.251 -16.251 384 2HB MET 50 1HB MET 50 -14.440 -15.173 -15.173 385 1HG MET 50 2HG MET 50 -14.650 -13.563 -13.563 386 2HG MET 50 1HG MET 50 -15.898 -14.804 -14.804 387 1HE MET 50 1HE MET 50 -14.413 -11.868 -11.868 388 2HE MET 50 3HE MET 50 -15.950 -11.109 -11.109 389 3HE MET 50 2HE MET 50 -15.489 -11.293 -11.293 390 H ARG 51 HN ARG 51 -10.628 -16.205 -16.205 391 HA ARG 51 HA ARG 51 -10.465 -17.448 -17.448 392 1HB ARG 51 2HB ARG 51 -8.503 -17.956 -17.956 393 2HB ARG 51 1HB ARG 51 -9.031 -19.033 -19.033 394 1HG ARG 51 2HG ARG 51 -11.353 -18.779 -18.779 395 2HG ARG 51 1HG ARG 51 -10.280 -18.444 -18.444 396 1HD ARG 51 2HD ARG 51 -9.227 -20.678 -20.678 397 2HD ARG 51 1HD ARG 51 -10.957 -20.953 -20.953 398 HE ARG 51 HE ARG 51 -10.622 -21.211 -21.211 399 1HH1 ARG 51 1HH2 ARG 51 -7.814 -19.705 -19.705 400 2HH1 ARG 51 2HH2 ARG 51 -6.868 -19.818 -19.818 401 1HH2 ARG 51 1HH1 ARG 51 -9.384 -21.369 -21.369 402 2HH2 ARG 51 2HH1 ARG 51 -7.761 -20.764 -20.764 403 H ARG 52 HN ARG 52 -8.526 -15.469 -15.469 404 HA ARG 52 HA ARG 52 -6.743 -14.794 -14.794 405 1HB ARG 52 2HB ARG 52 -6.230 -14.201 -14.201 406 2HB ARG 52 1HB ARG 52 -5.071 -14.234 -14.234 407 1HG ARG 52 2HG ARG 52 -6.520 -16.625 -16.625 408 2HG ARG 52 1HG ARG 52 -4.846 -16.177 -16.177 409 1HD ARG 52 2HD ARG 52 -4.105 -16.923 -16.923 410 2HD ARG 52 1HD ARG 52 -5.554 -16.391 -16.391 411 HE ARG 52 HE ARG 52 -6.384 -18.513 -18.513 412 1HH1 ARG 52 1HH2 ARG 52 -3.895 -18.010 -18.010 413 2HH1 ARG 52 2HH2 ARG 52 -3.944 -19.639 -19.639 414 1HH2 ARG 52 1HH1 ARG 52 -6.455 -20.662 -20.662 415 2HH2 ARG 52 2HH1 ARG 52 -5.399 -21.147 -21.147 416 H LEU 53 HN LEU 53 -8.889 -13.465 -13.465 417 HA LEU 53 HA LEU 53 -8.341 -10.739 -10.739 418 1HB LEU 53 2HB LEU 53 -10.154 -11.708 -11.708 419 2HB LEU 53 1HB LEU 53 -9.736 -10.038 -10.038 420 HG LEU 53 HG LEU 53 -7.626 -12.063 -12.063 421 1HD1 LEU 53 3HD1 LEU 53 -9.234 -10.378 -10.378 422 2HD1 LEU 53 2HD1 LEU 53 -7.792 -11.305 -11.305 423 3HD1 LEU 53 1HD1 LEU 53 -9.253 -12.138 -12.138 424 1HD2 LEU 53 2HD2 LEU 53 -7.723 -9.233 -9.233 425 2HD2 LEU 53 1HD2 LEU 53 -6.331 -10.307 -10.307 426 3HD2 LEU 53 3HD2 LEU 53 -7.011 -9.547 -9.547 427 H SER 54 HN SER 54 -9.682 -9.614 -9.614 428 HA SER 54 HA SER 54 -12.445 -10.474 -10.474 429 1HB SER 54 2HB SER 54 -10.343 -10.906 -10.906 430 2HB SER 54 1HB SER 54 -11.709 -9.992 -9.992 431 HG SER 54 HG SER 54 -12.093 -12.197 -12.197 432 H VAL 55 HN VAL 55 -13.663 -8.913 -8.913 433 HA VAL 55 HA VAL 55 -12.522 -6.257 -6.257 434 HB VAL 55 HB VAL 55 -13.258 -6.096 -6.096 435 1HG1 VAL 55 1HG1 VAL 55 -15.160 -8.016 -8.016 436 2HG1 VAL 55 3HG1 VAL 55 -16.068 -6.606 -6.606 437 3HG1 VAL 55 2HG1 VAL 55 -14.871 -7.351 -7.351 438 1HG2 VAL 55 3HG2 VAL 55 -13.834 -4.179 -4.179 439 2HG2 VAL 55 2HG2 VAL 55 -14.949 -4.368 -4.368 440 3HG2 VAL 55 1HG2 VAL 55 -15.431 -4.878 -4.878 441 H ASP 56 HN ASP 56 -13.942 -4.757 -4.757 442 HA ASP 56 HA ASP 56 -16.334 -5.664 -5.664 443 1HB ASP 56 2HB ASP 56 -14.478 -6.820 -6.820 444 2HB ASP 56 1HB ASP 56 -13.993 -5.219 -5.219 445 HA PRO 57 HA PRO 57 -18.000 -4.900 -4.900 446 1HB PRO 57 2HB PRO 57 -20.066 -3.329 -3.329 447 2HB PRO 57 1HB PRO 57 -19.319 -3.221 -3.221 448 1HG PRO 57 2HG PRO 57 -18.911 -1.482 -1.482 449 2HG PRO 57 1HG PRO 57 -19.098 -1.017 -1.017 450 1HD PRO 57 2HD PRO 57 -16.681 -1.176 -1.176 451 2HD PRO 57 1HD PRO 57 -16.894 -1.434 -1.434 452 HA PRO 58 HA PRO 58 -18.208 -6.033 -6.033 453 1HB PRO 58 2HB PRO 58 -19.794 -8.185 -8.185 454 2HB PRO 58 1HB PRO 58 -18.142 -8.187 -8.187 455 1HG PRO 58 2HG PRO 58 -20.730 -7.831 -7.831 456 2HG PRO 58 1HG PRO 58 -19.303 -8.776 -8.776 457 1HD PRO 58 2HD PRO 58 -19.868 -6.271 -6.271 458 2HD PRO 58 1HD PRO 58 -18.233 -6.954 -6.954 459 H CYS 59 HN CYS 59 -20.627 -4.483 -4.483 460 HA CYS 59 HA CYS 59 -22.041 -3.738 -3.738 461 1HB CYS 59 2HB CYS 59 -24.232 -4.875 -4.875 462 2HB CYS 59 1HB CYS 59 -22.970 -5.936 -5.936 463 HG CYS 59 HG CYS 59 -23.010 -6.049 -6.049 464 H GLY 60 HN GLY 60 -23.874 -2.337 -2.337 465 1HA GLY 60 2HA GLY 60 -24.811 -1.737 -1.737 466 2HA GLY 60 1HA GLY 60 -23.413 -0.715 -0.715 467 H VAL 61 HN VAL 61 -25.888 0.389 0.389 468 HA VAL 61 HA VAL 61 -26.894 1.181 1.181 469 HB VAL 61 HB VAL 61 -28.079 1.907 1.907 470 1HG1 VAL 61 1HG1 VAL 61 -28.753 3.265 3.265 471 2HG1 VAL 61 3HG1 VAL 61 -29.301 1.798 1.798 472 3HG1 VAL 61 2HG1 VAL 61 -30.092 2.334 2.334 473 1HG2 VAL 61 2HG2 VAL 61 -28.422 -0.556 -0.556 474 2HG2 VAL 61 1HG2 VAL 61 -28.206 -0.410 -0.410 475 3HG2 VAL 61 3HG2 VAL 61 -29.743 0.039 0.039 476 H LEU 62 HN LEU 62 -26.102 2.967 2.967 477 HA LEU 62 HA LEU 62 -24.774 4.947 4.947 478 1HB LEU 62 2HB LEU 62 -24.193 3.934 3.934 479 2HB LEU 62 1HB LEU 62 -24.979 5.442 5.442 480 HG LEU 62 HG LEU 62 -23.362 6.683 6.683 481 1HD1 LEU 62 1HD1 LEU 62 -22.412 3.928 3.928 482 2HD1 LEU 62 3HD1 LEU 62 -21.287 5.285 5.285 483 3HD1 LEU 62 2HD1 LEU 62 -22.702 5.299 5.299 484 1HD2 LEU 62 3HD2 LEU 62 -22.976 5.689 5.689 485 2HD2 LEU 62 2HD2 LEU 62 -21.818 6.739 6.739 486 3HD2 LEU 62 1HD2 LEU 62 -21.583 4.992 4.992 487 H ASP 63 HN ASP 63 -25.180 7.257 7.257 488 HA ASP 63 HA ASP 63 -28.046 7.756 7.756 489 1HB ASP 63 2HB ASP 63 -26.293 8.481 8.481 490 2HB ASP 63 1HB ASP 63 -26.821 9.956 9.956 491 HA PRO 64 HA PRO 64 -27.403 10.741 10.741 492 1HB PRO 64 2HB PRO 64 -28.324 13.039 13.039 493 2HB PRO 64 1HB PRO 64 -29.030 12.329 12.329 494 1HG PRO 64 2HG PRO 64 -30.186 12.041 12.041 495 2HG PRO 64 1HG PRO 64 -30.221 10.745 10.745 496 1HD PRO 64 2HD PRO 64 -28.478 11.033 11.033 497 2HD PRO 64 1HD PRO 64 -29.287 9.586 9.586 498 H LYS 65 HN LYS 65 -25.249 11.006 11.006 499 HA LYS 65 HA LYS 65 -23.282 12.142 12.142 500 1HB LYS 65 2HB LYS 65 -25.121 14.122 14.122 501 2HB LYS 65 1HB LYS 65 -23.712 14.331 14.331 502 1HG LYS 65 2HG LYS 65 -22.290 14.421 14.421 503 2HG LYS 65 1HG LYS 65 -23.740 14.301 14.301 504 1HD LYS 65 2HD LYS 65 -24.587 16.376 16.376 505 2HD LYS 65 1HD LYS 65 -23.096 16.503 16.503 506 1HE LYS 65 2HE LYS 65 -21.900 16.424 16.424 507 2HE LYS 65 1HE LYS 65 -23.484 16.753 16.753 508 1HZ LYS 65 2HZ LYS 65 -23.357 18.635 18.635 509 2HZ LYS 65 1HZ LYS 65 -21.718 18.507 18.507 510 3HZ LYS 65 3HZ LYS 65 -22.854 18.874 18.874 511 H GLU 66 HN GLU 66 -24.036 10.288 10.288 512 HA GLU 66 HA GLU 66 -22.336 11.199 11.199 513 1HB GLU 66 2HB GLU 66 -24.449 9.272 9.272 514 2HB GLU 66 1HB GLU 66 -23.039 8.496 8.496 515 1HG GLU 66 2HG GLU 66 -23.774 11.103 11.103 516 2HG GLU 66 1HG GLU 66 -24.924 9.793 9.793 517 H LYS 67 HN LYS 67 -20.456 10.116 10.116 518 HA LYS 67 HA LYS 67 -19.162 8.496 8.496 519 1HB LYS 67 2HB LYS 67 -17.972 10.505 10.505 520 2HB LYS 67 1HB LYS 67 -17.003 9.395 9.395 521 1HG LYS 67 2HG LYS 67 -16.980 10.966 10.966 522 2HG LYS 67 1HG LYS 67 -18.673 10.565 10.565 523 1HD LYS 67 2HD LYS 67 -19.154 12.223 12.223 524 2HD LYS 67 1HD LYS 67 -17.513 12.799 12.799 525 1HE LYS 67 2HE LYS 67 -18.167 13.084 13.084 526 2HE LYS 67 1HE LYS 67 -19.829 12.754 12.754 527 1HZ LYS 67 1HZ LYS 67 -18.183 14.933 14.933 528 2HZ LYS 67 3HZ LYS 67 -19.244 15.152 15.152 529 3HZ LYS 67 2HZ LYS 67 -19.841 14.680 14.680 530 H VAL 68 HN VAL 68 -18.382 6.553 6.553 531 HA VAL 68 HA VAL 68 -18.249 5.844 5.844 532 HB VAL 68 HB VAL 68 -20.190 4.768 4.768 533 1HG1 VAL 68 3HG1 VAL 68 -18.801 4.692 4.692 534 2HG1 VAL 68 2HG1 VAL 68 -18.528 3.040 3.040 535 3HG1 VAL 68 1HG1 VAL 68 -20.174 3.634 3.634 536 1HG2 VAL 68 3HG2 VAL 68 -18.576 3.620 3.620 537 2HG2 VAL 68 2HG2 VAL 68 -19.842 2.673 2.673 538 3HG2 VAL 68 1HG2 VAL 68 -18.182 2.578 2.578 539 H LEU 69 HN LEU 69 -16.546 4.568 4.568 540 HA LEU 69 HA LEU 69 -14.432 4.150 4.150 541 1HB LEU 69 2HB LEU 69 -13.921 5.784 5.784 542 2HB LEU 69 1HB LEU 69 -14.132 4.507 4.507 543 HG LEU 69 HG LEU 69 -12.246 3.273 3.273 544 1HD1 LEU 69 2HD1 LEU 69 -12.635 5.074 5.074 545 2HD1 LEU 69 1HD1 LEU 69 -11.133 5.603 5.603 546 3HD1 LEU 69 3HD1 LEU 69 -11.290 3.947 3.947 547 1HD2 LEU 69 3HD2 LEU 69 -12.106 4.967 4.967 548 2HD2 LEU 69 2HD2 LEU 69 -10.620 4.416 4.416 549 3HD2 LEU 69 1HD2 LEU 69 -11.290 5.997 5.997 550 H MET 70 HN MET 70 -13.844 2.137 2.137 551 HA MET 70 HA MET 70 -14.493 0.020 0.020 552 1HB MET 70 2HB MET 70 -15.030 -1.477 -1.477 553 2HB MET 70 1HB MET 70 -15.971 -0.006 -0.006 554 1HG MET 70 2HG MET 70 -14.362 0.766 0.766 555 2HG MET 70 1HG MET 70 -13.451 -0.730 -0.730 556 1HE MET 70 3HE MET 70 -13.409 -1.082 -1.082 557 2HE MET 70 2HE MET 70 -14.714 -1.726 -1.726 558 3HE MET 70 1HE MET 70 -14.577 0.014 0.014 559 H ALA 71 HN ALA 71 -13.210 -1.988 -1.988 560 HA ALA 71 HA ALA 71 -10.453 -1.315 -1.315 561 1HB ALA 71 1HB ALA 71 -10.664 -1.350 -1.350 562 2HB ALA 71 3HB ALA 71 -11.259 -3.008 -3.008 563 3HB ALA 71 2HB ALA 71 -9.610 -2.637 -2.637 564 H VAL 72 HN VAL 72 -9.365 -2.786 -2.786 565 HA VAL 72 HA VAL 72 -10.759 -5.311 -5.311 566 HB VAL 72 HB VAL 72 -10.675 -3.816 -3.816 567 1HG1 VAL 72 1HG1 VAL 72 -8.148 -3.150 -3.150 568 2HG1 VAL 72 3HG1 VAL 72 -7.854 -3.991 -3.991 569 3HG1 VAL 72 2HG1 VAL 72 -8.908 -2.577 -2.577 570 1HG2 VAL 72 3HG2 VAL 72 -10.050 -6.460 -6.460 571 2HG2 VAL 72 2HG2 VAL 72 -10.317 -5.519 -5.519 572 3HG2 VAL 72 1HG2 VAL 72 -8.676 -5.794 -5.794 573 H SER 73 HN SER 73 -9.755 -6.655 -6.655 574 HA SER 73 HA SER 73 -7.001 -6.614 -6.614 575 1HB SER 73 2HB SER 73 -9.284 -8.061 -8.061 576 2HB SER 73 1HB SER 73 -8.072 -9.249 -9.249 577 HG SER 73 HG SER 73 -7.614 -7.083 -7.083 578 H CYS 74 HN CYS 74 -5.295 -7.851 -7.851 579 HA CYS 74 HA CYS 74 -5.730 -9.619 -9.619 580 1HB CYS 74 2HB CYS 74 -5.068 -7.235 -7.235 581 2HB CYS 74 1HB CYS 74 -3.491 -7.603 -7.603 582 HG CYS 74 HG CYS 74 -2.946 -8.620 -8.620 583 H ASP 75 HN ASP 75 -5.342 -11.269 -11.269 584 HA ASP 75 HA ASP 75 -3.158 -11.518 -11.518 585 1HB ASP 75 2HB ASP 75 -4.577 -13.709 -13.709 586 2HB ASP 75 1HB ASP 75 -3.513 -13.964 -13.964 587 H THR 76 HN THR 76 -1.172 -12.667 -12.667 588 HA THR 76 HA THR 76 0.308 -12.050 -12.050 589 HB THR 76 HB THR 76 2.159 -12.895 -12.895 590 HG1 THR 76 1HG THR 76 0.427 -14.604 -14.604 591 1HG2 THR 76 2HG2 THR 76 0.784 -11.196 -11.196 592 2HG2 THR 76 1HG2 THR 76 0.481 -12.579 -12.579 593 3HG2 THR 76 3HG2 THR 76 2.135 -12.049 -12.049 594 H PHE 77 HN PHE 77 0.436 -13.099 -13.099 595 HA PHE 77 HA PHE 77 -0.017 -16.004 -16.004 596 1HB PHE 77 2HB PHE 77 -1.355 -15.860 -15.860 597 2HB PHE 77 1HB PHE 77 -2.031 -14.737 -14.737 598 HD1 PHE 77 2HD PHE 77 -1.117 -12.278 -12.278 599 HD2 PHE 77 1HD PHE 77 -1.023 -15.135 -15.135 600 HE1 PHE 77 2HE PHE 77 -0.950 -10.454 -10.454 601 HE2 PHE 77 1HE PHE 77 -0.855 -13.318 -13.318 602 HZ PHE 77 HZ PHE 77 -0.818 -10.972 -10.972 603 H ASN 78 HN ASN 78 0.563 -16.791 -16.791 604 HA ASN 78 HA ASN 78 3.226 -15.673 -15.673 605 1HB ASN 78 2HB ASN 78 2.230 -18.435 -18.435 606 2HB ASN 78 1HB ASN 78 3.281 -18.160 -18.160 607 1HD2 ASN 78 2HD2 ASN 78 4.746 -18.146 -18.146 608 2HD2 ASN 78 1HD2 ASN 78 3.049 -18.200 -18.200 609 H ALA 79 HN ALA 79 3.561 -14.825 -14.825 610 HA ALA 79 HA ALA 79 1.445 -15.008 -15.008 611 1HB ALA 79 2HB ALA 79 2.594 -12.843 -12.843 612 2HB ALA 79 1HB ALA 79 3.945 -13.376 -13.376 613 3HB ALA 79 3HB ALA 79 2.362 -13.105 -13.105 614 H ALA 80 HN ALA 80 3.541 -17.176 -17.176 615 HA ALA 80 HA ALA 80 4.814 -17.406 -17.406 616 1HB ALA 80 2HB ALA 80 5.712 -17.988 -17.988 617 2HB ALA 80 1HB ALA 80 5.356 -19.569 -19.569 618 3HB ALA 80 3HB ALA 80 6.473 -18.476 -18.476 619 H THR 81 HN THR 81 2.346 -18.840 -18.840 620 HA THR 81 HA THR 81 1.609 -20.583 -20.583 621 HB THR 81 HB THR 81 1.069 -22.396 -22.396 622 HG1 THR 81 1HG THR 81 2.470 -20.841 -20.841 623 1HG2 THR 81 1HG2 THR 81 3.265 -22.362 -22.362 624 2HG2 THR 81 3HG2 THR 81 3.928 -21.507 -21.507 625 3HG2 THR 81 2HG2 THR 81 3.298 -23.145 -23.145 626 H GLU 82 HN GLU 82 0.469 -18.115 -18.115 627 HA GLU 82 HA GLU 82 -2.258 -18.929 -18.929 628 1HB GLU 82 2HB GLU 82 -0.712 -16.745 -16.745 629 2HB GLU 82 1HB GLU 82 -2.464 -16.662 -16.662 630 1HG GLU 82 2HG GLU 82 -1.008 -19.001 -19.001 631 2HG GLU 82 1HG GLU 82 -1.564 -17.618 -17.618 632 H ASP 83 HN ASP 83 -3.742 -18.063 -18.063 633 HA ASP 83 HA ASP 83 -3.062 -16.816 -16.816 634 1HB ASP 83 2HB ASP 83 -5.542 -16.113 -16.113 635 2HB ASP 83 1HB ASP 83 -5.176 -17.834 -17.834 636 H LEU 84 HN LEU 84 -2.743 -14.771 -14.771 637 HA LEU 84 HA LEU 84 -3.168 -12.620 -12.620 638 1HB LEU 84 2HB LEU 84 -0.958 -12.798 -12.798 639 2HB LEU 84 1HB LEU 84 -1.197 -11.498 -11.498 640 HG LEU 84 HG LEU 84 -0.740 -14.316 -14.316 641 1HD1 LEU 84 1HD1 LEU 84 1.308 -12.286 -12.286 642 2HD1 LEU 84 3HD1 LEU 84 1.670 -13.602 -13.602 643 3HD1 LEU 84 2HD1 LEU 84 1.144 -13.960 -13.960 644 1HD2 LEU 84 3HD2 LEU 84 -1.579 -12.618 -12.618 645 2HD2 LEU 84 2HD2 LEU 84 0.020 -13.226 -13.226 646 3HD2 LEU 84 1HD2 LEU 84 -0.149 -11.641 -11.641 647 H ASN 85 HN ASN 85 -4.789 -13.680 -13.680 648 HA ASN 85 HA ASN 85 -5.320 -11.062 -11.062 649 1HB ASN 85 2HB ASN 85 -3.772 -12.500 -12.500 650 2HB ASN 85 1HB ASN 85 -5.213 -13.466 -13.466 651 1HD2 ASN 85 2HD2 ASN 85 -5.400 -11.246 -11.246 652 2HD2 ASN 85 1HD2 ASN 85 -4.731 -12.748 -12.748 653 H ASN 86 HN ASN 86 -6.585 -13.051 -13.051 654 HA ASN 86 HA ASN 86 -9.209 -13.105 -13.105 655 1HB ASN 86 2HB ASN 86 -7.871 -15.328 -15.328 656 2HB ASN 86 1HB ASN 86 -9.619 -15.264 -15.264 657 1HD2 ASN 86 2HD2 ASN 86 -7.224 -15.945 -15.945 658 2HD2 ASN 86 1HD2 ASN 86 -6.624 -15.071 -15.071 659 H ASP 87 HN ASP 87 -7.519 -11.748 -11.748 660 HA ASP 87 HA ASP 87 -9.618 -11.961 -11.961 661 1HB ASP 87 2HB ASP 87 -6.873 -10.694 -10.694 662 2HB ASP 87 1HB ASP 87 -8.013 -10.673 -10.673 663 H ARG 88 HN ARG 88 -11.210 -10.523 -10.523 664 HA ARG 88 HA ARG 88 -10.654 -7.720 -7.720 665 1HB ARG 88 2HB ARG 88 -12.490 -7.541 -7.541 666 2HB ARG 88 1HB ARG 88 -11.051 -8.383 -8.383 667 1HG ARG 88 2HG ARG 88 -12.114 -10.382 -10.382 668 2HG ARG 88 1HG ARG 88 -13.225 -10.028 -10.028 669 1HD ARG 88 2HD ARG 88 -14.239 -10.133 -10.133 670 2HD ARG 88 1HD ARG 88 -14.595 -8.687 -8.687 671 HE ARG 88 HE ARG 88 -12.358 -8.093 -8.093 672 1HH1 ARG 88 1HH2 ARG 88 -15.658 -9.027 -9.027 673 2HH1 ARG 88 2HH2 ARG 88 -15.756 -8.191 -8.191 674 1HH2 ARG 88 1HH1 ARG 88 -12.476 -6.988 -6.988 675 2HH2 ARG 88 2HH1 ARG 88 -13.946 -7.032 -7.032 676 H ILE 89 HN ILE 89 -11.914 -6.443 -6.443 677 HA ILE 89 HA ILE 89 -13.908 -7.686 -7.686 678 HB ILE 89 HB ILE 89 -13.148 -4.768 -4.768 679 1HG1 ILE 89 2HG1 ILE 89 -11.835 -7.003 -7.003 680 2HG1 ILE 89 1HG1 ILE 89 -11.111 -6.151 -6.151 681 1HG2 ILE 89 1HG2 ILE 89 -14.615 -6.573 -6.573 682 2HG2 ILE 89 3HG2 ILE 89 -13.669 -5.252 -5.252 683 3HG2 ILE 89 2HG2 ILE 89 -14.960 -4.907 -4.907 684 1HD1 ILE 89 1HD1 ILE 89 -11.950 -4.221 -4.221 685 2HD1 ILE 89 3HD1 ILE 89 -11.049 -5.478 -5.478 686 3HD1 ILE 89 2HD1 ILE 89 -10.312 -4.630 -4.630 687 H THR 90 HN THR 90 -16.026 -6.542 -6.542 688 HA THR 90 HA THR 90 -17.004 -5.129 -5.129 689 HB THR 90 HB THR 90 -18.732 -7.322 -7.322 690 HG1 THR 90 1HG THR 90 -17.199 -8.696 -8.696 691 1HG2 THR 90 1HG2 THR 90 -19.452 -5.724 -5.724 692 2HG2 THR 90 3HG2 THR 90 -18.233 -6.465 -6.465 693 3HG2 THR 90 2HG2 THR 90 -19.564 -7.436 -7.436 694 H ILE 91 HN ILE 91 -18.082 -3.397 -3.397 695 HA ILE 91 HA ILE 91 -19.322 -3.382 -3.382 696 HB ILE 91 HB ILE 91 -18.574 -0.992 -0.992 697 1HG1 ILE 91 2HG1 ILE 91 -16.842 -0.878 -0.878 698 2HG1 ILE 91 1HG1 ILE 91 -17.015 -2.627 -2.627 699 1HG2 ILE 91 3HG2 ILE 91 -20.159 -1.302 -1.302 700 2HG2 ILE 91 2HG2 ILE 91 -18.693 -0.417 -0.417 701 3HG2 ILE 91 1HG2 ILE 91 -19.740 0.176 0.176 702 1HD1 ILE 91 3HD1 ILE 91 -16.418 -2.465 -2.465 703 2HD1 ILE 91 2HD1 ILE 91 -16.092 -0.750 -0.750 704 3HD1 ILE 91 1HD1 ILE 91 -15.136 -1.960 -1.960 705 H GLU 92 HN GLU 92 -21.320 -4.258 -4.258 706 HA GLU 92 HA GLU 92 -22.894 -2.870 -2.870 707 1HB GLU 92 2HB GLU 92 -23.702 -5.350 -5.350 708 2HB GLU 92 1HB GLU 92 -24.355 -4.748 -4.748 709 1HG GLU 92 2HG GLU 92 -21.947 -5.104 -5.104 710 2HG GLU 92 1HG GLU 92 -21.774 -6.152 -6.152 711 H TRP 93 HN TRP 93 -24.317 -1.371 -1.371 712 HA TRP 93 HA TRP 93 -25.586 -1.547 -1.547 713 1HB TRP 93 2HB TRP 93 -25.254 0.766 0.766 714 2HB TRP 93 1HB TRP 93 -23.687 0.126 0.126 715 HD1 TRP 93 1HD TRP 93 -26.001 2.906 2.906 716 HE1 TRP 93 1HE TRP 93 -25.257 4.191 4.191 717 HE3 TRP 93 3HE TRP 93 -22.581 -0.429 -0.429 718 HZ2 TRP 93 2HZ TRP 93 -23.459 3.837 3.837 719 HZ3 TRP 93 3HZ TRP 93 -21.394 0.120 0.120 720 HH2 TRP 93 2HH TRP 93 -21.825 2.210 2.210 721 H THR 94 HN THR 94 -27.698 -0.851 -0.851 722 HA THR 94 HA THR 94 -28.926 0.246 0.246 723 HB THR 94 HB THR 94 -29.252 -2.148 -2.148 724 HG1 THR 94 1HG THR 94 -31.059 -0.578 -0.578 725 1HG2 THR 94 3HG2 THR 94 -29.475 -2.137 -2.137 726 2HG2 THR 94 2HG2 THR 94 -31.031 -2.668 -2.668 727 3HG2 THR 94 1HG2 THR 94 -29.552 -3.515 -3.515 728 H ASN 95 HN ASN 95 -30.531 1.683 1.683 729 HA ASN 95 HA ASN 95 -30.786 2.956 2.956 730 1HB ASN 95 2HB ASN 95 -31.601 3.723 3.723 731 2HB ASN 95 1HB ASN 95 -33.056 2.785 2.785 732 1HD2 ASN 95 2HD2 ASN 95 -32.815 6.479 6.479 733 2HD2 ASN 95 1HD2 ASN 95 -31.849 5.785 5.785 734 H THR 96 HN THR 96 -32.214 2.885 2.885 735 HA THR 96 HA THR 96 -33.360 0.287 0.287 736 HB THR 96 HB THR 96 -34.041 1.617 1.617 737 HG1 THR 96 1HG THR 96 -33.486 3.656 3.656 738 1HG2 THR 96 2HG2 THR 96 -31.917 -0.009 -0.009 739 2HG2 THR 96 1HG2 THR 96 -31.153 1.426 1.426 740 3HG2 THR 96 3HG2 THR 96 -32.363 0.543 0.543 741 HA PRO 97 HA PRO 97 -37.467 1.364 1.364 742 1HB PRO 97 2HB PRO 97 -38.843 -0.585 -0.585 743 2HB PRO 97 1HB PRO 97 -37.844 -0.901 -0.901 744 1HG PRO 97 2HG PRO 97 -37.201 -1.320 -1.320 745 2HG PRO 97 1HG PRO 97 -36.881 -2.383 -2.383 746 1HD PRO 97 2HD PRO 97 -34.983 -0.780 -0.780 747 2HD PRO 97 1HD PRO 97 -35.006 -1.205 -1.205 748 H ASP 98 HN ASP 98 -39.501 2.091 2.091 749 HA ASP 98 HA ASP 98 -39.376 3.904 3.904 750 1HB ASP 98 2HB ASP 98 -41.859 2.388 2.388 751 2HB ASP 98 1HB ASP 98 -41.806 3.963 3.963 752 H GLY 99 HN GLY 99 -39.400 3.836 3.836 753 1HA GLY 99 2HA GLY 99 -39.508 3.023 3.023 754 2HA GLY 99 1HA GLY 99 -40.815 1.996 1.996 755 H ALA 100 HN ALA 100 -37.466 1.965 1.965 756 HA ALA 100 HA ALA 100 -37.291 -0.865 -0.865 757 1HB ALA 100 2HB ALA 100 -35.365 1.272 1.272 758 2HB ALA 100 1HB ALA 100 -34.810 -0.377 -0.377 759 3HB ALA 100 3HB ALA 100 -36.031 -0.060 -0.060 760 H ALA 101 HN ALA 101 -36.442 -2.057 -2.057 761 HA ALA 101 HA ALA 101 -36.188 -1.094 -1.094 762 1HB ALA 101 2HB ALA 101 -35.012 -3.567 -3.567 763 2HB ALA 101 1HB ALA 101 -35.002 -3.235 -3.235 764 3HB ALA 101 3HB ALA 101 -36.535 -3.426 -3.426 765 H LYS 102 HN LYS 102 -34.267 -1.149 -1.149 766 HA LYS 102 HA LYS 102 -32.108 0.338 0.338 767 1HB LYS 102 2HB LYS 102 -33.084 -0.017 -0.017 768 2HB LYS 102 1HB LYS 102 -31.381 0.358 0.358 769 1HG LYS 102 2HG LYS 102 -33.023 2.091 2.091 770 2HG LYS 102 1HG LYS 102 -33.509 2.149 2.149 771 1HD LYS 102 2HD LYS 102 -30.609 2.288 2.288 772 2HD LYS 102 1HD LYS 102 -31.614 3.722 3.722 773 1HE LYS 102 2HE LYS 102 -32.129 3.850 3.850 774 2HE LYS 102 1HE LYS 102 -31.634 2.184 2.184 775 1HZ LYS 102 2HZ LYS 102 -29.381 3.391 3.391 776 2HZ LYS 102 1HZ LYS 102 -30.071 4.578 4.578 777 3HZ LYS 102 3HZ LYS 102 -29.717 3.050 3.050 778 H GLN 103 HN GLN 103 -31.522 -1.693 -1.693 779 HA GLN 103 HA GLN 103 -29.124 -2.715 -2.715 780 1HB GLN 103 2HB GLN 103 -31.148 -3.872 -3.872 781 2HB GLN 103 1HB GLN 103 -30.923 -5.037 -5.037 782 1HG GLN 103 2HG GLN 103 -29.269 -5.898 -5.898 783 2HG GLN 103 1HG GLN 103 -28.349 -4.435 -4.435 784 1HE2 GLN 103 2HE2 GLN 103 -28.052 -4.420 -4.420 785 2HE2 GLN 103 1HE2 GLN 103 -27.318 -4.970 -4.970 786 H PHE 104 HN PHE 104 -28.087 -3.988 -3.988 787 HA PHE 104 HA PHE 104 -28.926 -3.772 -3.772 788 1HB PHE 104 2HB PHE 104 -26.589 -4.091 -4.091 789 2HB PHE 104 1HB PHE 104 -26.934 -5.684 -5.684 790 HD1 PHE 104 1HD PHE 104 -26.583 -3.712 -3.712 791 HD2 PHE 104 2HD PHE 104 -27.272 -7.582 -7.582 792 HE1 PHE 104 1HE PHE 104 -26.159 -4.713 -4.713 793 HE2 PHE 104 2HE PHE 104 -26.848 -8.591 -8.591 794 HZ PHE 104 HZ PHE 104 -26.291 -7.156 -7.156 795 H ARG 105 HN ARG 105 -30.571 -4.736 -4.736 796 HA ARG 105 HA ARG 105 -31.385 -7.414 -7.414 797 1HB ARG 105 2HB ARG 105 -32.844 -5.037 -5.037 798 2HB ARG 105 1HB ARG 105 -33.366 -6.489 -6.489 799 1HG ARG 105 2HG ARG 105 -33.133 -6.377 -6.377 800 2HG ARG 105 1HG ARG 105 -34.596 -5.887 -5.887 801 1HD ARG 105 2HD ARG 105 -35.148 -8.058 -8.058 802 2HD ARG 105 1HD ARG 105 -34.174 -8.265 -8.265 803 HE ARG 105 HE ARG 105 -32.601 -9.368 -9.368 804 1HH1 ARG 105 1HH2 ARG 105 -34.786 -7.693 -7.693 805 2HH1 ARG 105 2HH2 ARG 105 -34.155 -8.427 -8.427 806 1HH2 ARG 105 1HH1 ARG 105 -31.764 -10.342 -10.342 807 2HH2 ARG 105 2HH1 ARG 105 -32.436 -9.933 -9.933 808 H ARG 106 HN ARG 106 -31.953 -9.005 -9.005 809 HA ARG 106 HA ARG 106 -30.246 -8.884 -8.884 810 1HB ARG 106 2HB ARG 106 -30.624 -11.233 -11.233 811 2HB ARG 106 1HB ARG 106 -30.365 -10.898 -10.898 812 1HG ARG 106 2HG ARG 106 -32.926 -10.803 -10.803 813 2HG ARG 106 1HG ARG 106 -32.906 -11.608 -11.608 814 1HD ARG 106 2HD ARG 106 -31.225 -13.222 -13.222 815 2HD ARG 106 1HD ARG 106 -32.007 -12.605 -12.605 816 HE ARG 106 HE ARG 106 -33.956 -13.415 -13.415 817 1HH1 ARG 106 1HH2 ARG 106 -31.587 -14.712 -14.712 818 2HH1 ARG 106 2HH2 ARG 106 -32.444 -16.196 -16.196 819 1HH2 ARG 106 1HH1 ARG 106 -35.094 -15.365 -15.365 820 2HH2 ARG 106 2HH1 ARG 106 -34.438 -16.567 -16.567 821 H GLU 107 HN GLU 107 -33.621 -8.705 -8.705 822 HA GLU 107 HA GLU 107 -34.741 -9.364 -9.364 823 1HB GLU 107 2HB GLU 107 -36.733 -8.242 -8.242 824 2HB GLU 107 1HB GLU 107 -36.019 -9.100 -9.100 825 1HG GLU 107 2HG GLU 107 -34.879 -6.800 -6.800 826 2HG GLU 107 1HG GLU 107 -36.200 -6.173 -6.173 827 H TRP 108 HN TRP 108 -33.293 -6.404 -6.404 828 HA TRP 108 HA TRP 108 -34.220 -4.570 -4.570 829 1HB TRP 108 2HB TRP 108 -31.464 -4.754 -4.754 830 2HB TRP 108 1HB TRP 108 -32.105 -3.336 -3.336 831 HD1 TRP 108 1HD TRP 108 -35.073 -4.138 -4.138 832 HE1 TRP 108 1HE TRP 108 -35.306 -3.150 -3.150 833 HE3 TRP 108 3HE TRP 108 -30.158 -3.078 -3.078 834 HZ2 TRP 108 2HZ TRP 108 -33.628 -2.067 -2.067 835 HZ3 TRP 108 3HZ TRP 108 -29.556 -2.067 -2.067 836 HH2 TRP 108 2HH TRP 108 -31.257 -1.572 -1.572 837 H PHE 109 HN PHE 109 -31.816 -7.080 -7.080 838 HA PHE 109 HA PHE 109 -30.974 -6.111 -6.111 839 1HB PHE 109 2HB PHE 109 -30.160 -8.392 -8.392 840 2HB PHE 109 1HB PHE 109 -29.694 -8.385 -8.385 841 HD1 PHE 109 1HD PHE 109 -29.748 -5.956 -5.956 842 HD2 PHE 109 2HD PHE 109 -27.590 -7.611 -7.611 843 HE1 PHE 109 1HE PHE 109 -27.831 -4.508 -4.508 844 HE2 PHE 109 2HE PHE 109 -25.671 -6.165 -6.165 845 HZ PHE 109 HZ PHE 109 -25.790 -4.612 -4.612 846 H GLN 110 HN GLN 110 -33.037 -8.591 -8.591 847 HA GLN 110 HA GLN 110 -33.625 -9.604 -9.604 848 1HB GLN 110 2HB GLN 110 -34.553 -10.799 -10.799 849 2HB GLN 110 1HB GLN 110 -34.503 -11.564 -11.564 850 1HG GLN 110 2HG GLN 110 -31.921 -11.063 -11.063 851 2HG GLN 110 1HG GLN 110 -32.323 -11.088 -11.088 852 1HE2 GLN 110 2HE2 GLN 110 -31.358 -14.491 -14.491 853 2HE2 GLN 110 1HE2 GLN 110 -30.630 -12.928 -12.928 854 H GLY 111 HN GLY 111 -34.609 -7.054 -7.054 855 1HA GLY 111 2HA GLY 111 -37.502 -7.633 -7.633 856 2HA GLY 111 1HA GLY 111 -36.846 -6.353 -6.353 857 H ASP 112 HN ASP 112 -37.957 -4.688 -4.688 858 HA ASP 112 HA ASP 112 -37.693 -4.302 -4.302 859 1HB ASP 112 2HB ASP 112 -39.393 -3.160 -3.160 860 2HB ASP 112 1HB ASP 112 -39.040 -2.119 -2.119 861 H GLY 113 HN GLY 113 -36.896 -2.331 -2.331 862 1HA GLY 113 2HA GLY 113 -35.777 -0.196 -0.196 863 2HA GLY 113 1HA GLY 113 -35.026 -0.867 -0.867 864 H MET 114 HN MET 114 -33.168 0.145 0.145 865 HA MET 114 HA MET 114 -32.053 -1.929 -1.929 866 1HB MET 114 2HB MET 114 -32.463 0.810 0.810 867 2HB MET 114 1HB MET 114 -30.730 0.611 0.611 868 1HG MET 114 2HG MET 114 -32.034 -1.389 -1.389 869 2HG MET 114 1HG MET 114 -32.009 0.261 0.261 870 1HE MET 114 1HE MET 114 -30.216 1.660 1.660 871 2HE MET 114 3HE MET 114 -28.493 1.287 1.287 872 3HE MET 114 2HE MET 114 -29.473 0.892 0.892 873 H VAL 115 HN VAL 115 -30.144 -2.803 -2.803 874 HA VAL 115 HA VAL 115 -28.798 -1.745 -1.745 875 HB VAL 115 HB VAL 115 -28.568 -4.502 -4.502 876 1HG1 VAL 115 3HG1 VAL 115 -26.595 -3.709 -3.709 877 2HG1 VAL 115 2HG1 VAL 115 -27.643 -3.505 -3.505 878 3HG1 VAL 115 1HG1 VAL 115 -27.389 -5.111 -5.111 879 1HG2 VAL 115 1HG2 VAL 115 -30.813 -4.074 -4.074 880 2HG2 VAL 115 3HG2 VAL 115 -29.945 -5.260 -5.260 881 3HG2 VAL 115 2HG2 VAL 115 -30.108 -3.599 -3.599 882 H ARG 116 HN ARG 116 -26.871 -0.822 -0.822 883 HA ARG 116 HA ARG 116 -25.455 -1.051 -1.051 884 1HB ARG 116 2HB ARG 116 -26.050 1.161 1.161 885 2HB ARG 116 1HB ARG 116 -24.513 0.788 0.788 886 1HG ARG 116 2HG ARG 116 -23.505 1.820 1.820 887 2HG ARG 116 1HG ARG 116 -24.047 0.518 0.518 888 1HD ARG 116 2HD ARG 116 -26.130 2.477 2.477 889 2HD ARG 116 1HD ARG 116 -24.704 3.191 3.191 890 HE ARG 116 HE ARG 116 -26.612 1.475 1.475 891 1HH1 ARG 116 1HH2 ARG 116 -23.243 2.355 2.355 892 2HH1 ARG 116 2HH2 ARG 116 -22.984 1.895 1.895 893 1HH2 ARG 116 1HH1 ARG 116 -26.283 0.865 0.865 894 2HH2 ARG 116 2HH1 ARG 116 -24.713 1.047 1.047 895 H ARG 117 HN ARG 117 -24.070 -2.704 -2.704 896 HA ARG 117 HA ARG 117 -22.525 -3.359 -3.359 897 1HB ARG 117 2HB ARG 117 -21.960 -5.460 -5.460 898 2HB ARG 117 1HB ARG 117 -23.622 -5.288 -5.288 899 1HG ARG 117 2HG ARG 117 -24.403 -4.803 -4.803 900 2HG ARG 117 1HG ARG 117 -22.790 -4.413 -4.413 901 1HD ARG 117 2HD ARG 117 -23.635 -6.598 -6.598 902 2HD ARG 117 1HD ARG 117 -22.134 -6.723 -6.723 903 HE ARG 117 HE ARG 117 -24.361 -7.091 -7.091 904 1HH1 ARG 117 1HH2 ARG 117 -22.530 -8.688 -8.688 905 2HH1 ARG 117 2HH2 ARG 117 -22.902 -10.282 -10.282 906 1HH2 ARG 117 1HH1 ARG 117 -24.859 -9.184 -9.184 907 2HH2 ARG 117 2HH1 ARG 117 -24.227 -10.564 -10.564 908 H LYS 118 HN LYS 118 -20.559 -2.531 -2.531 909 HA LYS 118 HA LYS 118 -19.101 -1.908 -1.908 910 1HB LYS 118 2HB LYS 118 -19.437 -0.528 -0.528 911 2HB LYS 118 1HB LYS 118 -17.734 -0.928 -0.928 912 1HG LYS 118 2HG LYS 118 -17.536 0.304 0.304 913 2HG LYS 118 1HG LYS 118 -19.284 0.369 0.369 914 1HD LYS 118 2HD LYS 118 -19.389 2.287 2.287 915 2HD LYS 118 1HD LYS 118 -18.646 1.529 1.529 916 1HE LYS 118 2HE LYS 118 -16.555 2.277 2.277 917 2HE LYS 118 1HE LYS 118 -16.875 2.285 2.285 918 1HZ LYS 118 2HZ LYS 118 -18.462 4.211 4.211 919 2HZ LYS 118 1HZ LYS 118 -17.548 4.321 4.321 920 3HZ LYS 118 3HZ LYS 118 -16.801 4.514 4.514 921 H ASN 119 HN ASN 119 -16.805 -2.373 -2.373 922 HA ASN 119 HA ASN 119 -15.895 -4.479 -4.479 923 1HB ASN 119 2HB ASN 119 -14.983 -5.651 -5.651 924 2HB ASN 119 1HB ASN 119 -16.659 -5.896 -5.896 925 1HD2 ASN 119 2HD2 ASN 119 -17.954 -4.685 -4.685 926 2HD2 ASN 119 1HD2 ASN 119 -18.161 -5.557 -5.557 927 H LEU 120 HN LEU 120 -13.888 -4.136 -4.136 928 HA LEU 120 HA LEU 120 -12.164 -2.375 -2.375 929 1HB LEU 120 2HB LEU 120 -12.608 -2.645 -2.645 930 2HB LEU 120 1HB LEU 120 -10.991 -2.242 -2.242 931 HG LEU 120 HG LEU 120 -12.254 -0.379 -0.379 932 1HD1 LEU 120 3HD1 LEU 120 -14.213 -1.226 -1.226 933 2HD1 LEU 120 2HD1 LEU 120 -14.116 0.465 0.465 934 3HD1 LEU 120 1HD1 LEU 120 -14.492 -0.779 -0.779 935 1HD2 LEU 120 3HD2 LEU 120 -10.602 -0.265 -0.265 936 2HD2 LEU 120 2HD2 LEU 120 -11.582 1.145 1.145 937 3HD2 LEU 120 1HD2 LEU 120 -12.048 0.100 0.100 938 HA PRO 121 HA PRO 121 -9.829 -6.216 -6.216 939 1HB PRO 121 2HB PRO 121 -7.842 -5.157 -5.157 940 2HB PRO 121 1HB PRO 121 -9.417 -5.645 -5.645 941 1HG PRO 121 2HG PRO 121 -8.442 -2.917 -2.917 942 2HG PRO 121 1HG PRO 121 -9.381 -3.415 -3.415 943 1HD PRO 121 2HD PRO 121 -10.537 -2.245 -2.245 944 2HD PRO 121 1HD PRO 121 -11.366 -3.497 -3.497 945 H ILE 122 HN ILE 122 -8.057 -7.077 -7.077 946 HA ILE 122 HA ILE 122 -6.640 -5.333 -5.333 947 HB ILE 122 HB ILE 122 -6.620 -8.349 -8.349 948 1HG1 ILE 122 2HG1 ILE 122 -8.852 -7.433 -7.433 949 2HG1 ILE 122 1HG1 ILE 122 -8.149 -8.310 -8.310 950 1HG2 ILE 122 2HG2 ILE 122 -5.291 -6.377 -6.377 951 2HG2 ILE 122 1HG2 ILE 122 -5.899 -7.860 -7.860 952 3HG2 ILE 122 3HG2 ILE 122 -4.725 -7.944 -7.944 953 1HD1 ILE 122 2HD1 ILE 122 -7.314 -5.852 -5.852 954 2HD1 ILE 122 1HD1 ILE 122 -8.777 -5.444 -5.444 955 3HD1 ILE 122 3HD1 ILE 122 -8.873 -6.497 -6.497 956 H GLU 123 HN GLU 123 -4.357 -5.358 -5.358 957 HA GLU 123 HA GLU 123 -2.882 -6.521 -6.521 958 1HB GLU 123 2HB GLU 123 -3.453 -3.773 -3.773 959 2HB GLU 123 1HB GLU 123 -1.756 -3.968 -3.968 960 1HG GLU 123 2HG GLU 123 -2.622 -5.385 -5.385 961 2HG GLU 123 1HG GLU 123 -2.679 -3.625 -3.625 962 H TYR 124 HN TYR 124 -0.596 -6.741 -6.741 963 HA TYR 124 HA TYR 124 0.145 -6.668 -6.668 964 1HB TYR 124 2HB TYR 124 1.060 -8.843 -8.843 965 2HB TYR 124 1HB TYR 124 1.153 -8.807 -8.807 966 HD1 TYR 124 1HD TYR 124 -1.164 -9.148 -9.148 967 HD2 TYR 124 2HD TYR 124 -0.645 -9.585 -9.585 968 HE1 TYR 124 1HE TYR 124 -3.296 -10.367 -10.367 969 HE2 TYR 124 2HE TYR 124 -2.774 -10.805 -10.805 970 HH TYR 124 HH TYR 124 -4.244 -12.125 -12.125 971 H ASN 125 HN ASN 125 1.582 -5.055 -5.055 972 HA ASN 125 HA ASN 125 3.483 -4.633 -4.633 973 1HB ASN 125 2HB ASN 125 2.303 -3.010 -3.010 974 2HB ASN 125 1HB ASN 125 4.040 -3.005 -3.005 975 1HD2 ASN 125 2HD2 ASN 125 4.323 -0.448 -0.448 976 2HD2 ASN 125 1HD2 ASN 125 4.568 -1.028 -1.028 977 H LEU 126 HN LEU 126 4.542 -6.697 -6.697 978 HA LEU 126 HA LEU 126 5.973 -7.329 -7.329 979 1HB LEU 126 2HB LEU 126 6.131 -8.370 -8.370 980 2HB LEU 126 1HB LEU 126 7.162 -8.972 -8.972 981 HG LEU 126 HG LEU 126 4.150 -9.050 -9.050 982 1HD1 LEU 126 1HD1 LEU 126 6.117 -10.959 -10.959 983 2HD1 LEU 126 3HD1 LEU 126 4.663 -11.573 -11.573 984 3HD1 LEU 126 2HD1 LEU 126 4.526 -10.476 -10.476 985 1HD2 LEU 126 2HD2 LEU 126 6.385 -10.024 -10.024 986 2HD2 LEU 126 1HD2 LEU 126 4.840 -9.307 -9.307 987 3HD2 LEU 126 3HD2 LEU 126 4.906 -10.981 -10.981 988 1H ALA 1 1HN ALA 1 42.421 -2.802 -2.802 989 2H ALA 1 3HN ALA 1 42.002 -2.396 -2.396 990 3H ALA 1 2HN ALA 1 40.832 -3.103 -3.103 991 HA ALA 1 HA ALA 1 40.218 -0.970 -0.970 992 1HB ALA 1 2HB ALA 1 43.089 -0.456 -0.456 993 2HB ALA 1 1HB ALA 1 42.171 0.801 0.801 994 3HB ALA 1 3HB ALA 1 41.650 0.232 0.232 995 H GLN 2 HN GLN 2 39.459 -1.688 -1.688 996 HA GLN 2 HA GLN 2 40.852 -0.502 -0.502 997 1HB GLN 2 2HB GLN 2 40.485 -3.414 -3.414 998 2HB GLN 2 1HB GLN 2 40.119 -2.802 -2.802 999 1HG GLN 2 2HG GLN 2 42.697 -2.126 -2.126 1000 2HG GLN 2 1HG GLN 2 42.491 -3.646 -3.646 1001 1HE2 GLN 2 2HE2 GLN 2 43.774 -1.862 -1.862 1002 2HE2 GLN 2 1HE2 GLN 2 44.098 -3.013 -3.013 1003 H SER 3 HN SER 3 38.088 -2.651 -2.651 1004 HA SER 3 HA SER 3 36.189 -0.650 -0.650 1005 1HB SER 3 2HB SER 3 37.010 -2.747 -2.747 1006 2HB SER 3 1HB SER 3 35.283 -2.408 -2.408 1007 HG SER 3 HG SER 3 37.332 -0.847 -0.847 1008 H VAL 4 HN VAL 4 36.006 -4.154 -4.154 1009 HA VAL 4 HA VAL 4 34.523 -5.678 -5.678 1010 HB VAL 4 HB VAL 4 34.523 -5.800 -5.800 1011 1HG1 VAL 4 2HG1 VAL 4 36.053 -7.055 -7.055 1012 2HG1 VAL 4 1HG1 VAL 4 37.213 -5.732 -5.732 1013 3HG1 VAL 4 3HG1 VAL 4 36.779 -6.654 -6.654 1014 1HG2 VAL 4 1HG2 VAL 4 34.950 -3.412 -3.412 1015 2HG2 VAL 4 3HG2 VAL 4 36.154 -4.446 -4.446 1016 3HG2 VAL 4 2HG2 VAL 4 36.552 -3.584 -3.584 1017 HA PRO 5 HA PRO 5 30.806 -3.098 -3.098 1018 1HB PRO 5 2HB PRO 5 29.121 -4.850 -4.850 1019 2HB PRO 5 1HB PRO 5 30.199 -3.805 -3.805 1020 1HG PRO 5 2HG PRO 5 30.527 -6.686 -6.686 1021 2HG PRO 5 1HG PRO 5 30.850 -5.886 -5.886 1022 1HD PRO 5 2HD PRO 5 32.805 -6.491 -6.491 1023 2HD PRO 5 1HD PRO 5 32.904 -5.113 -5.113 1024 HA PRO 6 HA PRO 6 29.627 -4.977 -4.977 1025 1HB PRO 6 2HB PRO 6 27.265 -3.204 -3.204 1026 2HB PRO 6 1HB PRO 6 28.348 -3.360 -3.360 1027 1HG PRO 6 2HG PRO 6 28.518 -1.255 -1.255 1028 2HG PRO 6 1HG PRO 6 29.978 -2.010 -2.010 1029 1HD PRO 6 2HD PRO 6 28.820 -2.217 -2.217 1030 2HD PRO 6 1HD PRO 6 30.520 -2.138 -2.138 1031 H GLY 7 HN GLY 7 28.362 -6.683 -6.683 1032 1HA GLY 7 2HA GLY 7 26.917 -8.063 -8.063 1033 2HA GLY 7 1HA GLY 7 26.880 -8.416 -8.416 1034 H ASP 8 HN ASP 8 24.858 -8.030 -8.030 1035 HA ASP 8 HA ASP 8 23.134 -5.943 -5.943 1036 1HB ASP 8 2HB ASP 8 22.282 -8.743 -8.743 1037 2HB ASP 8 1HB ASP 8 21.404 -7.249 -7.249 1038 H ILE 9 HN ILE 9 21.795 -5.409 -5.409 1039 HA ILE 9 HA ILE 9 21.439 -7.328 -7.328 1040 HB ILE 9 HB ILE 9 20.837 -5.407 -5.407 1041 1HG1 ILE 9 2HG1 ILE 9 21.667 -3.198 -3.198 1042 2HG1 ILE 9 1HG1 ILE 9 20.633 -4.113 -4.113 1043 1HG2 ILE 9 1HG2 ILE 9 23.407 -5.761 -5.761 1044 2HG2 ILE 9 3HG2 ILE 9 23.181 -4.130 -4.130 1045 3HG2 ILE 9 2HG2 ILE 9 23.029 -5.520 -5.520 1046 1HD1 ILE 9 3HD1 ILE 9 19.138 -4.139 -4.139 1047 2HD1 ILE 9 2HD1 ILE 9 19.959 -2.586 -2.586 1048 3HD1 ILE 9 1HD1 ILE 9 18.999 -2.932 -2.932 1049 H ASN 10 HN ASN 10 19.434 -7.864 -7.864 1050 HA ASN 10 HA ASN 10 17.236 -7.620 -7.620 1051 1HB ASN 10 2HB ASN 10 17.957 -9.333 -9.333 1052 2HB ASN 10 1HB ASN 10 16.364 -8.663 -8.663 1053 1HD2 ASN 10 2HD2 ASN 10 16.912 -11.053 -11.053 1054 2HD2 ASN 10 1HD2 ASN 10 18.230 -10.151 -10.151 1055 H THR 11 HN THR 11 15.211 -6.654 -6.654 1056 HA THR 11 HA THR 11 15.039 -4.827 -4.827 1057 HB THR 11 HB THR 11 14.086 -3.120 -3.120 1058 HG1 THR 11 1HG THR 11 15.373 -3.297 -3.297 1059 1HG2 THR 11 2HG2 THR 11 17.042 -3.592 -3.592 1060 2HG2 THR 11 1HG2 THR 11 16.296 -2.119 -2.119 1061 3HG2 THR 11 3HG2 THR 11 16.025 -2.609 -2.609 1062 H GLN 12 HN GLN 12 12.924 -4.212 -4.212 1063 HA GLN 12 HA GLN 12 10.715 -5.374 -5.374 1064 1HB GLN 12 2HB GLN 12 11.309 -6.038 -6.038 1065 2HB GLN 12 1HB GLN 12 9.768 -6.362 -6.362 1066 1HG GLN 12 2HG GLN 12 12.279 -7.414 -7.414 1067 2HG GLN 12 1HG GLN 12 11.577 -8.225 -8.225 1068 1HE2 GLN 12 2HE2 GLN 12 10.157 -9.977 -9.977 1069 2HE2 GLN 12 1HE2 GLN 12 11.652 -9.829 -9.829 1070 HA PRO 13 HA PRO 13 9.083 -4.493 -4.493 1071 1HB PRO 13 2HB PRO 13 8.853 -2.166 -2.166 1072 2HB PRO 13 1HB PRO 13 7.535 -2.882 -2.882 1073 1HG PRO 13 2HG PRO 13 9.398 -0.662 -0.662 1074 2HG PRO 13 1HG PRO 13 7.647 -0.790 -0.790 1075 1HD PRO 13 2HD PRO 13 9.400 -1.265 -1.265 1076 2HD PRO 13 1HD PRO 13 7.892 -2.190 -2.190 1077 H SER 14 HN SER 14 10.154 -4.604 -4.604 1078 HA SER 14 HA SER 14 12.926 -3.618 -3.618 1079 1HB SER 14 2HB SER 14 12.533 -5.748 -5.748 1080 2HB SER 14 1HB SER 14 13.618 -5.683 -5.683 1081 HG SER 14 HG SER 14 12.153 -7.356 -7.356 1082 H GLN 15 HN GLN 15 9.987 -3.492 -3.492 1083 HA GLN 15 HA GLN 15 11.360 -2.387 -2.387 1084 1HB GLN 15 2HB GLN 15 8.457 -3.175 -3.175 1085 2HB GLN 15 1HB GLN 15 9.345 -2.791 -2.791 1086 1HG GLN 15 2HG GLN 15 10.769 -4.871 -4.871 1087 2HG GLN 15 1HG GLN 15 9.070 -5.301 -5.301 1088 1HE2 GLN 15 2HE2 GLN 15 9.071 -6.627 -6.627 1089 2HE2 GLN 15 1HE2 GLN 15 8.755 -6.814 -6.814 1090 H LYS 16 HN LYS 16 8.667 -1.736 -1.736 1091 HA LYS 16 HA LYS 16 9.214 1.033 1.033 1092 1HB LYS 16 2HB LYS 16 7.150 1.846 1.846 1093 2HB LYS 16 1HB LYS 16 8.336 1.148 1.148 1094 1HG LYS 16 2HG LYS 16 7.056 -0.927 -0.927 1095 2HG LYS 16 1HG LYS 16 5.868 -0.235 -0.235 1096 1HD LYS 16 2HD LYS 16 5.732 1.659 1.659 1097 2HD LYS 16 1HD LYS 16 6.412 0.427 0.427 1098 1HE LYS 16 2HE LYS 16 4.539 -1.088 -1.088 1099 2HE LYS 16 1HE LYS 16 3.812 0.365 0.365 1100 1HZ LYS 16 1HZ LYS 16 4.574 0.191 0.191 1101 2HZ LYS 16 3HZ LYS 16 3.058 -0.318 -0.318 1102 3HZ LYS 16 2HZ LYS 16 3.529 1.297 1.297 1103 H ILE 17 HN ILE 17 7.065 2.207 2.207 1104 HA ILE 17 HA ILE 17 5.674 0.403 0.403 1105 HB ILE 17 HB ILE 17 7.505 1.397 1.397 1106 1HG1 ILE 17 2HG1 ILE 17 4.998 2.840 2.840 1107 2HG1 ILE 17 1HG1 ILE 17 5.125 1.087 1.087 1108 1HG2 ILE 17 3HG2 ILE 17 7.672 3.430 3.430 1109 2HG2 ILE 17 2HG2 ILE 17 6.304 4.094 4.094 1110 3HG2 ILE 17 1HG2 ILE 17 7.813 3.735 3.735 1111 1HD1 ILE 17 1HD1 ILE 17 7.384 2.484 2.484 1112 2HD1 ILE 17 3HD1 ILE 17 5.836 2.863 2.863 1113 3HD1 ILE 17 2HD1 ILE 17 6.378 1.187 1.187 1114 H VAL 18 HN VAL 18 3.558 0.902 0.902 1115 HA VAL 18 HA VAL 18 2.527 3.363 3.363 1116 HB VAL 18 HB VAL 18 1.144 0.679 0.679 1117 1HG1 VAL 18 1HG1 VAL 18 0.269 3.357 3.357 1118 2HG1 VAL 18 3HG1 VAL 18 -0.490 1.843 1.843 1119 3HG1 VAL 18 2HG1 VAL 18 -0.530 2.342 2.342 1120 1HG2 VAL 18 3HG2 VAL 18 2.794 2.016 2.016 1121 2HG2 VAL 18 2HG2 VAL 18 2.533 0.299 0.299 1122 3HG2 VAL 18 1HG2 VAL 18 1.318 1.232 1.232 1123 H PHE 19 HN PHE 19 2.480 4.546 4.546 1124 HA PHE 19 HA PHE 19 1.479 3.654 3.654 1125 1HB PHE 19 2HB PHE 19 1.744 6.399 6.399 1126 2HB PHE 19 1HB PHE 19 1.094 6.162 6.162 1127 HD1 PHE 19 1HD PHE 19 4.076 5.564 5.564 1128 HD2 PHE 19 2HD PHE 19 2.514 5.867 5.867 1129 HE1 PHE 19 1HE PHE 19 6.362 5.512 5.512 1130 HE2 PHE 19 2HE PHE 19 4.799 5.817 5.817 1131 HZ PHE 19 HZ PHE 19 6.727 5.640 5.640 1132 H ASN 20 HN ASN 20 -0.467 2.688 2.688 1133 HA ASN 20 HA ASN 20 -2.702 3.483 3.483 1134 1HB ASN 20 2HB ASN 20 -2.050 1.228 1.228 1135 2HB ASN 20 1HB ASN 20 -3.247 1.942 1.942 1136 1HD2 ASN 20 2HD2 ASN 20 -5.908 0.847 0.847 1137 2HD2 ASN 20 1HD2 ASN 20 -5.258 1.382 1.382 1138 H ALA 21 HN ALA 21 -4.439 4.720 4.720 1139 HA ALA 21 HA ALA 21 -4.220 6.786 6.786 1140 1HB ALA 21 1HB ALA 21 -6.013 6.022 6.022 1141 2HB ALA 21 3HB ALA 21 -6.958 6.408 6.408 1142 3HB ALA 21 2HB ALA 21 -5.835 7.595 7.595 1143 HA PRO 22 HA PRO 22 -6.183 8.003 8.003 1144 1HB PRO 22 2HB PRO 22 -6.908 8.937 8.937 1145 2HB PRO 22 1HB PRO 22 -8.007 8.475 8.475 1146 1HG PRO 22 2HG PRO 22 -7.687 7.168 7.168 1147 2HG PRO 22 1HG PRO 22 -8.578 6.566 6.566 1148 1HD PRO 22 2HD PRO 22 -5.833 5.899 5.899 1149 2HD PRO 22 1HD PRO 22 -7.016 4.887 4.887 1150 H TYR 23 HN TYR 23 -5.215 10.059 10.059 1151 HA TYR 23 HA TYR 23 -2.627 9.696 9.696 1152 1HB TYR 23 2HB TYR 23 -3.609 11.741 11.741 1153 2HB TYR 23 1HB TYR 23 -2.055 11.866 11.866 1154 HD1 TYR 23 2HD TYR 23 -0.800 9.392 9.392 1155 HD2 TYR 23 1HD TYR 23 -3.430 11.004 11.004 1156 HE1 TYR 23 2HE TYR 23 0.222 7.946 7.946 1157 HE2 TYR 23 1HE TYR 23 -2.419 9.560 9.560 1158 HH TYR 23 HH TYR 23 0.478 7.792 7.792 1159 H ASP 24 HN ASP 24 -4.650 9.883 9.883 1160 HA ASP 24 HA ASP 24 -4.401 12.630 12.630 1161 1HB ASP 24 2HB ASP 24 -6.686 10.700 10.700 1162 2HB ASP 24 1HB ASP 24 -6.566 12.329 12.329 1163 H ASP 25 HN ASP 25 -3.234 9.606 9.606 1164 HA ASP 25 HA ASP 25 -2.770 10.114 10.114 1165 1HB ASP 25 2HB ASP 25 -3.199 7.812 7.812 1166 2HB ASP 25 1HB ASP 25 -4.622 8.461 8.461 1167 H LYS 26 HN LYS 26 -0.847 9.183 9.183 1168 HA LYS 26 HA LYS 26 1.329 9.196 9.196 1169 1HB LYS 26 2HB LYS 26 0.938 8.600 8.600 1170 2HB LYS 26 1HB LYS 26 2.406 7.984 7.984 1171 1HG LYS 26 2HG LYS 26 2.260 10.606 10.606 1172 2HG LYS 26 1HG LYS 26 1.727 10.675 10.675 1173 1HD LYS 26 2HD LYS 26 3.841 9.078 9.078 1174 2HD LYS 26 1HD LYS 26 4.370 9.949 9.949 1175 1HE LYS 26 2HE LYS 26 4.154 12.056 12.056 1176 2HE LYS 26 1HE LYS 26 3.397 11.292 11.292 1177 1HZ LYS 26 2HZ LYS 26 6.186 10.817 10.817 1178 2HZ LYS 26 1HZ LYS 26 5.736 11.815 11.815 1179 3HZ LYS 26 3HZ LYS 26 5.455 10.147 10.147 1180 H HIS 27 HN HIS 27 2.001 7.678 7.678 1181 HA HIS 27 HA HIS 27 1.252 4.881 4.881 1182 1HB HIS 27 2HB HIS 27 1.427 6.472 6.472 1183 2HB HIS 27 1HB HIS 27 1.799 4.754 4.754 1184 HD1 HIS 27 1HD HIS 27 -0.246 3.216 3.216 1185 HD2 HIS 27 2HD HIS 27 -1.169 6.993 6.993 1186 HE1 HIS 27 1HE HIS 27 -2.754 3.257 3.257 1187 H THR 28 HN THR 28 2.989 4.063 4.063 1188 HA THR 28 HA THR 28 5.657 4.535 4.535 1189 HB THR 28 HB THR 28 4.822 3.287 3.287 1190 HG1 THR 28 1HG THR 28 5.083 5.210 5.210 1191 1HG2 THR 28 2HG2 THR 28 7.508 3.744 3.744 1192 2HG2 THR 28 1HG2 THR 28 7.289 3.837 3.837 1193 3HG2 THR 28 3HG2 THR 28 6.898 2.347 2.347 1194 H TYR 29 HN TYR 29 6.212 3.130 3.130 1195 HA TYR 29 HA TYR 29 5.208 0.392 0.392 1196 1HB TYR 29 2HB TYR 29 6.764 1.899 1.899 1197 2HB TYR 29 1HB TYR 29 6.269 0.218 0.218 1198 HD1 TYR 29 1HD TYR 29 4.948 3.664 3.664 1199 HD2 TYR 29 2HD TYR 29 4.128 -0.330 -0.330 1200 HE1 TYR 29 1HE TYR 29 2.784 4.392 4.392 1201 HE2 TYR 29 2HE TYR 29 1.962 0.386 0.386 1202 HH TYR 29 HH TYR 29 0.857 2.368 2.368 1203 H HIS 30 HN HIS 30 6.704 -1.376 -1.376 1204 HA HIS 30 HA HIS 30 9.314 -0.983 -0.983 1205 1HB HIS 30 2HB HIS 30 7.799 -3.590 -3.590 1206 2HB HIS 30 1HB HIS 30 9.165 -3.150 -3.150 1207 HD1 HIS 30 1HD HIS 30 5.787 -3.793 -3.793 1208 HD2 HIS 30 2HD HIS 30 8.207 -0.600 -0.600 1209 HE1 HIS 30 1HE HIS 30 4.606 -2.632 -2.632 1210 H ILE 31 HN ILE 31 10.834 -0.960 -0.960 1211 HA ILE 31 HA ILE 31 10.521 -2.577 -2.577 1212 HB ILE 31 HB ILE 31 12.853 -0.782 -0.782 1213 1HG1 ILE 31 2HG1 ILE 31 10.964 0.646 0.646 1214 2HG1 ILE 31 1HG1 ILE 31 11.576 0.951 0.951 1215 1HG2 ILE 31 3HG2 ILE 31 13.091 -2.324 -2.324 1216 2HG2 ILE 31 2HG2 ILE 31 11.617 -1.672 -1.672 1217 3HG2 ILE 31 1HG2 ILE 31 13.040 -0.646 -0.646 1218 1HD1 ILE 31 1HD1 ILE 31 9.782 -0.901 -0.901 1219 2HD1 ILE 31 3HD1 ILE 31 9.042 -0.300 -0.300 1220 3HD1 ILE 31 2HD1 ILE 31 9.365 0.807 0.807 1221 H LYS 32 HN LYS 32 11.849 -4.247 -4.247 1222 HA LYS 32 HA LYS 32 13.660 -5.246 -5.246 1223 1HB LYS 32 2HB LYS 32 11.470 -6.502 -6.502 1224 2HB LYS 32 1HB LYS 32 12.780 -7.166 -7.166 1225 1HG LYS 32 2HG LYS 32 13.426 -8.492 -8.492 1226 2HG LYS 32 1HG LYS 32 13.470 -7.150 -7.150 1227 1HD LYS 32 2HD LYS 32 10.897 -7.390 -7.390 1228 2HD LYS 32 1HD LYS 32 11.198 -8.984 -8.984 1229 1HE LYS 32 2HE LYS 32 12.934 -8.508 -8.508 1230 2HE LYS 32 1HE LYS 32 11.247 -8.268 -8.268 1231 1HZ LYS 32 2HZ LYS 32 12.277 -10.684 -10.684 1232 2HZ LYS 32 1HZ LYS 32 12.027 -10.575 -10.575 1233 3HZ LYS 32 3HZ LYS 32 10.715 -10.453 -10.453 1234 H ILE 33 HN ILE 33 15.746 -5.467 -5.467 1235 HA ILE 33 HA ILE 33 16.572 -5.534 -5.534 1236 HB ILE 33 HB ILE 33 17.954 -3.989 -3.989 1237 1HG1 ILE 33 2HG1 ILE 33 16.725 -2.812 -2.812 1238 2HG1 ILE 33 1HG1 ILE 33 15.746 -3.100 -3.100 1239 1HG2 ILE 33 1HG2 ILE 33 18.650 -4.557 -4.557 1240 2HG2 ILE 33 3HG2 ILE 33 19.245 -3.108 -3.108 1241 3HG2 ILE 33 2HG2 ILE 33 19.656 -4.704 -4.704 1242 1HD1 ILE 33 1HD1 ILE 33 17.600 -1.755 -1.755 1243 2HD1 ILE 33 3HD1 ILE 33 17.988 -1.179 -1.179 1244 3HD1 ILE 33 2HD1 ILE 33 16.379 -0.907 -0.907 1245 H THR 34 HN THR 34 18.572 -6.620 -6.620 1246 HA THR 34 HA THR 34 19.775 -8.125 -8.125 1247 HB THR 34 HB THR 34 18.437 -9.450 -9.450 1248 HG1 THR 34 1HG THR 34 16.945 -9.237 -9.237 1249 1HG2 THR 34 2HG2 THR 34 20.132 -10.721 -10.721 1250 2HG2 THR 34 1HG2 THR 34 19.183 -11.575 -11.575 1251 3HG2 THR 34 3HG2 THR 34 20.548 -10.573 -10.573 1252 H ASN 35 HN ASN 35 21.762 -9.185 -9.185 1253 HA ASN 35 HA ASN 35 23.080 -7.827 -7.827 1254 1HB ASN 35 2HB ASN 35 24.032 -7.468 -7.468 1255 2HB ASN 35 1HB ASN 35 24.343 -9.197 -9.197 1256 1HD2 ASN 35 2HD2 ASN 35 26.468 -7.139 -7.139 1257 2HD2 ASN 35 1HD2 ASN 35 24.787 -6.819 -6.819 1258 H ALA 36 HN ALA 36 22.028 -9.422 -9.422 1259 HA ALA 36 HA ALA 36 22.520 -12.165 -12.165 1260 1HB ALA 36 2HB ALA 36 20.988 -10.658 -10.658 1261 2HB ALA 36 1HB ALA 36 22.358 -10.810 -10.810 1262 3HB ALA 36 3HB ALA 36 21.532 -12.254 -12.254 1263 H GLY 37 HN GLY 37 24.562 -9.527 -9.527 1264 1HA GLY 37 2HA GLY 37 26.367 -10.726 -10.726 1265 2HA GLY 37 1HA GLY 37 26.788 -9.468 -9.468 1266 H GLY 38 HN GLY 38 26.867 -10.416 -10.416 1267 1HA GLY 38 2HA GLY 38 27.423 -12.473 -12.473 1268 2HA GLY 38 1HA GLY 38 28.408 -12.935 -12.935 1269 H ARG 39 HN ARG 39 28.434 -9.622 -9.622 1270 HA ARG 39 HA ARG 39 30.780 -9.941 -9.941 1271 1HB ARG 39 2HB ARG 39 31.031 -8.094 -8.094 1272 2HB ARG 39 1HB ARG 39 32.297 -8.784 -8.784 1273 1HG ARG 39 2HG ARG 39 31.789 -11.008 -11.008 1274 2HG ARG 39 1HG ARG 39 30.656 -10.209 -10.209 1275 1HD ARG 39 2HD ARG 39 33.482 -9.250 -9.250 1276 2HD ARG 39 1HD ARG 39 33.102 -10.682 -10.682 1277 HE ARG 39 HE ARG 39 32.489 -7.951 -7.951 1278 1HH1 ARG 39 1HH2 ARG 39 31.598 -11.280 -11.280 1279 2HH1 ARG 39 2HH2 ARG 39 30.831 -10.981 -10.981 1280 1HH2 ARG 39 1HH1 ARG 39 31.483 -7.547 -7.547 1281 2HH2 ARG 39 2HH1 ARG 39 30.767 -8.860 -8.860 1282 H ARG 40 HN ARG 40 31.442 -7.913 -7.913 1283 HA ARG 40 HA ARG 40 29.304 -6.473 -6.473 1284 1HB ARG 40 2HB ARG 40 31.779 -6.713 -6.713 1285 2HB ARG 40 1HB ARG 40 32.042 -5.263 -5.263 1286 1HG ARG 40 2HG ARG 40 30.305 -4.110 -4.110 1287 2HG ARG 40 1HG ARG 40 30.112 -5.559 -5.559 1288 1HD ARG 40 2HD ARG 40 32.418 -3.659 -3.659 1289 2HD ARG 40 1HD ARG 40 31.550 -4.250 -4.250 1290 HE ARG 40 HE ARG 40 33.761 -5.519 -5.519 1291 1HH1 ARG 40 1HH2 ARG 40 31.027 -5.971 -5.971 1292 2HH1 ARG 40 2HH2 ARG 40 31.663 -7.406 -7.406 1293 1HH2 ARG 40 1HH1 ARG 40 34.611 -7.407 -7.407 1294 2HH2 ARG 40 2HH1 ARG 40 33.701 -8.223 -8.223 1295 H ILE 41 HN ILE 41 28.555 -4.352 -4.352 1296 HA ILE 41 HA ILE 41 29.509 -2.840 -2.840 1297 HB ILE 41 HB ILE 41 27.193 -2.686 -2.686 1298 1HG1 ILE 41 2HG1 ILE 41 26.623 -5.322 -5.322 1299 2HG1 ILE 41 1HG1 ILE 41 26.253 -3.834 -3.834 1300 1HG2 ILE 41 3HG2 ILE 41 29.055 -4.020 -4.020 1301 2HG2 ILE 41 2HG2 ILE 41 28.426 -5.432 -5.432 1302 3HG2 ILE 41 1HG2 ILE 41 27.451 -4.639 -4.639 1303 1HD1 ILE 41 2HD1 ILE 41 24.859 -3.122 -3.122 1304 2HD1 ILE 41 1HD1 ILE 41 25.163 -4.686 -4.686 1305 3HD1 ILE 41 3HD1 ILE 41 24.292 -4.604 -4.604 1306 H GLY 42 HN GLY 42 28.218 -0.793 -0.793 1307 1HA GLY 42 2HA GLY 42 27.086 0.106 0.106 1308 2HA GLY 42 1HA GLY 42 28.265 1.080 1.080 1309 H TRP 43 HN TRP 43 24.964 0.193 0.193 1310 HA TRP 43 HA TRP 43 24.241 1.531 1.531 1311 1HB TRP 43 2HB TRP 43 21.947 0.730 0.730 1312 2HB TRP 43 1HB TRP 43 23.127 -0.574 -0.574 1313 HD1 TRP 43 1HD TRP 43 23.891 -1.670 -1.670 1314 HE1 TRP 43 1HE TRP 43 22.587 -1.899 -1.899 1315 HE3 TRP 43 3HE TRP 43 20.247 1.815 1.815 1316 HZ2 TRP 43 2HZ TRP 43 20.315 -0.753 -0.753 1317 HZ3 TRP 43 3HZ TRP 43 18.547 2.188 2.188 1318 HH2 TRP 43 2HH TRP 43 18.581 0.930 0.930 1319 H ALA 44 HN ALA 44 22.590 3.155 3.155 1320 HA ALA 44 HA ALA 44 21.956 4.561 4.561 1321 1HB ALA 44 1HB ALA 44 23.930 5.583 5.583 1322 2HB ALA 44 3HB ALA 44 22.803 6.735 6.735 1323 3HB ALA 44 2HB ALA 44 23.869 5.785 5.785 1324 H ILE 45 HN ILE 45 19.959 5.375 5.375 1325 HA ILE 45 HA ILE 45 18.625 5.337 5.337 1326 HB ILE 45 HB ILE 45 17.370 5.891 5.891 1327 1HG1 ILE 45 2HG1 ILE 45 18.474 3.729 3.729 1328 2HG1 ILE 45 1HG1 ILE 45 16.733 3.491 3.491 1329 1HG2 ILE 45 1HG2 ILE 45 16.395 5.526 5.526 1330 2HG2 ILE 45 3HG2 ILE 45 15.480 4.689 4.689 1331 3HG2 ILE 45 2HG2 ILE 45 15.701 6.437 6.437 1332 1HD1 ILE 45 2HD1 ILE 45 17.712 3.494 3.494 1333 2HD1 ILE 45 1HD1 ILE 45 18.814 2.497 2.497 1334 3HD1 ILE 45 3HD1 ILE 45 17.089 2.130 2.130 1335 H LYS 46 HN LYS 46 17.661 7.082 7.082 1336 HA LYS 46 HA LYS 46 17.790 9.685 9.685 1337 1HB LYS 46 2HB LYS 46 19.195 8.998 8.998 1338 2HB LYS 46 1HB LYS 46 18.764 10.649 10.649 1339 1HG LYS 46 2HG LYS 46 20.043 10.030 10.030 1340 2HG LYS 46 1HG LYS 46 20.831 8.870 8.870 1341 1HD LYS 46 2HD LYS 46 22.082 10.471 10.471 1342 2HD LYS 46 1HD LYS 46 20.653 11.440 11.440 1343 1HE LYS 46 2HE LYS 46 20.675 12.275 12.275 1344 2HE LYS 46 1HE LYS 46 22.171 11.384 11.384 1345 1HZ LYS 46 1HZ LYS 46 22.955 12.728 12.728 1346 2HZ LYS 46 3HZ LYS 46 21.711 13.785 13.785 1347 3HZ LYS 46 2HZ LYS 46 22.963 13.447 13.447 1348 H THR 47 HN THR 47 16.065 10.922 10.922 1349 HA THR 47 HA THR 47 14.330 10.037 10.037 1350 HB THR 47 HB THR 47 12.413 10.657 10.657 1351 HG1 THR 47 1HG THR 47 12.507 11.826 11.826 1352 1HG2 THR 47 3HG2 THR 47 13.433 8.508 8.508 1353 2HG2 THR 47 2HG2 THR 47 14.266 9.359 9.359 1354 3HG2 THR 47 1HG2 THR 47 12.503 9.290 9.290 1355 H THR 48 HN THR 48 13.109 11.665 11.665 1356 HA THR 48 HA THR 48 14.628 13.947 13.947 1357 HB THR 48 HB THR 48 12.386 14.605 14.605 1358 HG1 THR 48 1HG THR 48 10.793 13.354 13.354 1359 1HG2 THR 48 3HG2 THR 48 14.394 13.466 13.466 1360 2HG2 THR 48 2HG2 THR 48 13.491 11.964 11.964 1361 3HG2 THR 48 1HG2 THR 48 12.828 13.268 13.268 1362 H ASN 49 HN ASN 49 11.901 13.428 13.428 1363 HA ASN 49 HA ASN 49 12.149 16.226 16.226 1364 1HB ASN 49 2HB ASN 49 9.866 14.941 14.941 1365 2HB ASN 49 1HB ASN 49 9.570 15.143 15.143 1366 1HD2 ASN 49 2HD2 ASN 49 8.528 18.380 18.380 1367 2HD2 ASN 49 1HD2 ASN 49 8.290 16.833 16.833 1368 H MET 50 HN MET 50 13.080 16.255 16.255 1369 HA MET 50 HA MET 50 12.682 14.006 14.006 1370 1HB MET 50 2HB MET 50 14.676 16.264 16.264 1371 2HB MET 50 1HB MET 50 14.517 15.191 15.191 1372 1HG MET 50 2HG MET 50 14.720 13.572 13.572 1373 2HG MET 50 1HG MET 50 15.978 14.804 14.804 1374 1HE MET 50 1HE MET 50 14.469 11.880 11.880 1375 2HE MET 50 3HE MET 50 16.004 11.113 11.113 1376 3HE MET 50 2HE MET 50 15.537 11.299 11.299 1377 H ARG 51 HN ARG 51 10.713 16.242 16.242 1378 HA ARG 51 HA ARG 51 10.554 17.491 17.491 1379 1HB ARG 51 2HB ARG 51 8.602 18.011 18.011 1380 2HB ARG 51 1HB ARG 51 9.133 19.085 19.085 1381 1HG ARG 51 2HG ARG 51 11.456 18.812 18.812 1382 2HG ARG 51 1HG ARG 51 10.383 18.485 18.485 1383 1HD ARG 51 2HD ARG 51 9.345 20.726 20.726 1384 2HD ARG 51 1HD ARG 51 11.077 20.990 20.990 1385 HE ARG 51 HE ARG 51 10.749 21.250 21.250 1386 1HH1 ARG 51 1HH2 ARG 51 7.927 19.768 19.768 1387 2HH1 ARG 51 2HH2 ARG 51 6.986 19.887 19.887 1388 1HH2 ARG 51 1HH1 ARG 51 9.519 21.414 21.414 1389 2HH2 ARG 51 2HH1 ARG 51 7.891 20.822 20.822 1390 H ARG 52 HN ARG 52 8.609 15.524 15.524 1391 HA ARG 52 HA ARG 52 6.815 14.862 14.862 1392 1HB ARG 52 2HB ARG 52 6.306 14.270 14.270 1393 2HB ARG 52 1HB ARG 52 5.143 14.315 14.315 1394 1HG ARG 52 2HG ARG 52 6.616 16.692 16.692 1395 2HG ARG 52 1HG ARG 52 4.940 16.259 16.259 1396 1HD ARG 52 2HD ARG 52 4.197 17.008 17.008 1397 2HD ARG 52 1HD ARG 52 5.640 16.467 16.467 1398 HE ARG 52 HE ARG 52 6.488 18.584 18.584 1399 1HH1 ARG 52 1HH2 ARG 52 3.989 18.095 18.095 1400 2HH1 ARG 52 2HH2 ARG 52 4.047 19.725 19.725 1401 1HH2 ARG 52 1HH1 ARG 52 6.571 20.732 20.732 1402 2HH2 ARG 52 2HH1 ARG 52 5.514 21.224 21.224 1403 H LEU 53 HN LEU 53 8.954 13.518 13.518 1404 HA LEU 53 HA LEU 53 8.388 10.796 10.796 1405 1HB LEU 53 2HB LEU 53 10.212 11.753 11.753 1406 2HB LEU 53 1HB LEU 53 9.782 10.086 10.086 1407 HG LEU 53 HG LEU 53 7.687 12.123 12.123 1408 1HD1 LEU 53 3HD1 LEU 53 9.284 10.428 10.428 1409 2HD1 LEU 53 2HD1 LEU 53 7.851 11.370 11.370 1410 3HD1 LEU 53 1HD1 LEU 53 9.321 12.186 12.186 1411 1HD2 LEU 53 2HD2 LEU 53 7.765 9.295 9.295 1412 2HD2 LEU 53 1HD2 LEU 53 6.380 10.376 10.376 1413 3HD2 LEU 53 3HD2 LEU 53 7.063 9.607 9.607 1414 H SER 54 HN SER 54 9.716 9.663 9.663 1415 HA SER 54 HA SER 54 12.486 10.501 10.501 1416 1HB SER 54 2HB SER 54 10.382 10.955 10.955 1417 2HB SER 54 1HB SER 54 11.738 10.030 10.030 1418 HG SER 54 HG SER 54 12.137 12.235 12.235 1419 H VAL 55 HN VAL 55 13.688 8.933 8.933 1420 HA VAL 55 HA VAL 55 12.528 6.284 6.284 1421 HB VAL 55 HB VAL 55 13.272 6.120 6.120 1422 1HG1 VAL 55 1HG1 VAL 55 15.182 8.027 8.027 1423 2HG1 VAL 55 3HG1 VAL 55 16.085 6.614 6.614 1424 3HG1 VAL 55 2HG1 VAL 55 14.897 7.364 7.364 1425 1HG2 VAL 55 3HG2 VAL 55 13.831 4.199 4.199 1426 2HG2 VAL 55 2HG2 VAL 55 14.946 4.379 4.379 1427 3HG2 VAL 55 1HG2 VAL 55 15.433 4.887 4.887 1428 H ASP 56 HN ASP 56 13.936 4.772 4.772 1429 HA ASP 56 HA ASP 56 16.329 5.662 5.662 1430 1HB ASP 56 2HB ASP 56 14.479 6.831 6.831 1431 2HB ASP 56 1HB ASP 56 13.983 5.233 5.233 1432 HA PRO 57 HA PRO 57 17.987 4.891 4.891 1433 1HB PRO 57 2HB PRO 57 20.045 3.308 3.308 1434 2HB PRO 57 1HB PRO 57 19.292 3.202 3.202 1435 1HG PRO 57 2HG PRO 57 18.880 1.471 1.471 1436 2HG PRO 57 1HG PRO 57 19.063 0.999 0.999 1437 1HD PRO 57 2HD PRO 57 16.647 1.173 1.173 1438 2HD PRO 57 1HD PRO 57 16.863 1.431 1.431 1439 HA PRO 58 HA PRO 58 18.211 6.016 6.016 1440 1HB PRO 58 2HB PRO 58 19.811 8.159 8.159 1441 2HB PRO 58 1HB PRO 58 18.158 8.172 8.172 1442 1HG PRO 58 2HG PRO 58 20.740 7.803 7.803 1443 2HG PRO 58 1HG PRO 58 19.319 8.757 8.757 1444 1HD PRO 58 2HD PRO 58 19.870 6.249 6.249 1445 2HD PRO 58 1HD PRO 58 18.238 6.942 6.942 1446 H CYS 59 HN CYS 59 20.618 4.454 4.454 1447 HA CYS 59 HA CYS 59 22.029 3.694 3.694 1448 1HB CYS 59 2HB CYS 59 24.228 4.815 4.815 1449 2HB CYS 59 1HB CYS 59 22.975 5.885 5.885 1450 HG CYS 59 HG CYS 59 23.012 6.002 6.002 1451 H GLY 60 HN GLY 60 23.849 2.282 2.282 1452 1HA GLY 60 2HA GLY 60 24.779 1.678 1.678 1453 2HA GLY 60 1HA GLY 60 23.373 0.666 0.666 1454 H VAL 61 HN VAL 61 25.839 -0.456 -0.456 1455 HA VAL 61 HA VAL 61 26.843 -1.256 -1.256 1456 HB VAL 61 HB VAL 61 28.019 -1.993 -1.993 1457 1HG1 VAL 61 1HG1 VAL 61 28.689 -3.353 -3.353 1458 2HG1 VAL 61 3HG1 VAL 61 29.251 -1.889 -1.889 1459 3HG1 VAL 61 2HG1 VAL 61 30.032 -2.433 -2.433 1460 1HG2 VAL 61 2HG2 VAL 61 28.381 0.471 0.471 1461 2HG2 VAL 61 1HG2 VAL 61 28.163 0.322 0.322 1462 3HG2 VAL 61 3HG2 VAL 61 29.698 -0.137 -0.137 1463 H LEU 62 HN LEU 62 26.045 -3.039 -3.039 1464 HA LEU 62 HA LEU 62 24.695 -5.005 -5.005 1465 1HB LEU 62 2HB LEU 62 24.129 -3.992 -3.992 1466 2HB LEU 62 1HB LEU 62 24.907 -5.507 -5.507 1467 HG LEU 62 HG LEU 62 23.277 -6.733 -6.733 1468 1HD1 LEU 62 1HD1 LEU 62 22.344 -3.969 -3.969 1469 2HD1 LEU 62 3HD1 LEU 62 21.210 -5.320 -5.320 1470 3HD1 LEU 62 2HD1 LEU 62 22.623 -5.339 -5.339 1471 1HD2 LEU 62 3HD2 LEU 62 22.903 -5.736 -5.736 1472 2HD2 LEU 62 2HD2 LEU 62 21.744 -6.787 -6.787 1473 3HD2 LEU 62 1HD2 LEU 62 21.510 -5.039 -5.039 1474 H ASP 63 HN ASP 63 25.084 -7.322 -7.322 1475 HA ASP 63 HA ASP 63 27.949 -7.840 -7.840 1476 1HB ASP 63 2HB ASP 63 26.185 -8.552 -8.552 1477 2HB ASP 63 1HB ASP 63 26.709 -10.030 -10.030 1478 HA PRO 64 HA PRO 64 27.294 -10.823 -10.823 1479 1HB PRO 64 2HB PRO 64 28.191 -13.128 -13.128 1480 2HB PRO 64 1HB PRO 64 28.908 -12.422 -12.422 1481 1HG PRO 64 2HG PRO 64 30.054 -12.147 -12.147 1482 2HG PRO 64 1HG PRO 64 30.112 -10.856 -10.856 1483 1HD PRO 64 2HD PRO 64 28.361 -11.112 -11.112 1484 2HD PRO 64 1HD PRO 64 29.183 -9.677 -9.677 1485 H LYS 65 HN LYS 65 25.141 -11.077 -11.077 1486 HA LYS 65 HA LYS 65 23.164 -12.195 -12.195 1487 1HB LYS 65 2HB LYS 65 24.988 -14.188 -14.188 1488 2HB LYS 65 1HB LYS 65 23.578 -14.388 -14.388 1489 1HG LYS 65 2HG LYS 65 22.155 -14.468 -14.468 1490 2HG LYS 65 1HG LYS 65 23.607 -14.359 -14.359 1491 1HD LYS 65 2HD LYS 65 24.439 -16.439 -16.439 1492 2HD LYS 65 1HD LYS 65 22.944 -16.556 -16.556 1493 1HE LYS 65 2HE LYS 65 21.754 -16.469 -16.469 1494 2HE LYS 65 1HE LYS 65 23.336 -16.806 -16.806 1495 1HZ LYS 65 2HZ LYS 65 23.191 -18.690 -18.690 1496 2HZ LYS 65 1HZ LYS 65 21.555 -18.551 -18.551 1497 3HZ LYS 65 3HZ LYS 65 22.694 -18.924 -18.924 1498 H GLU 66 HN GLU 66 23.927 -10.346 -10.346 1499 HA GLU 66 HA GLU 66 22.214 -11.243 -11.243 1500 1HB GLU 66 2HB GLU 66 24.339 -9.326 -9.326 1501 2HB GLU 66 1HB GLU 66 22.930 -8.546 -8.546 1502 1HG GLU 66 2HG GLU 66 23.647 -11.155 -11.155 1503 2HG GLU 66 1HG GLU 66 24.806 -9.855 -9.855 1504 H LYS 67 HN LYS 67 20.338 -10.146 -10.146 1505 HA LYS 67 HA LYS 67 19.063 -8.516 -8.516 1506 1HB LYS 67 2HB LYS 67 17.853 -10.515 -10.515 1507 2HB LYS 67 1HB LYS 67 16.894 -9.398 -9.398 1508 1HG LYS 67 2HG LYS 67 16.864 -10.970 -10.970 1509 2HG LYS 67 1HG LYS 67 18.562 -10.583 -10.583 1510 1HD LYS 67 2HD LYS 67 19.025 -12.242 -12.242 1511 2HD LYS 67 1HD LYS 67 17.379 -12.804 -12.804 1512 1HE LYS 67 2HE LYS 67 18.032 -13.102 -13.102 1513 2HE LYS 67 1HE LYS 67 19.697 -12.779 -12.779 1514 1HZ LYS 67 1HZ LYS 67 18.041 -14.945 -14.945 1515 2HZ LYS 67 3HZ LYS 67 19.097 -15.175 -15.175 1516 3HZ LYS 67 2HZ LYS 67 19.702 -14.699 -14.699 1517 H VAL 68 HN VAL 68 18.300 -6.568 -6.568 1518 HA VAL 68 HA VAL 68 18.164 -5.858 -5.858 1519 HB VAL 68 HB VAL 68 20.115 -4.798 -4.798 1520 1HG1 VAL 68 3HG1 VAL 68 18.735 -4.711 -4.711 1521 2HG1 VAL 68 2HG1 VAL 68 18.470 -3.058 -3.058 1522 3HG1 VAL 68 1HG1 VAL 68 20.112 -3.660 -3.660 1523 1HG2 VAL 68 3HG2 VAL 68 18.505 -3.638 -3.638 1524 2HG2 VAL 68 2HG2 VAL 68 19.783 -2.701 -2.701 1525 3HG2 VAL 68 1HG2 VAL 68 18.125 -2.590 -2.590 1526 H LEU 69 HN LEU 69 16.471 -4.564 -4.564 1527 HA LEU 69 HA LEU 69 14.363 -4.135 -4.135 1528 1HB LEU 69 2HB LEU 69 13.838 -5.762 -5.762 1529 2HB LEU 69 1HB LEU 69 14.055 -4.486 -4.486 1530 HG LEU 69 HG LEU 69 12.177 -3.241 -3.241 1531 1HD1 LEU 69 2HD1 LEU 69 12.558 -5.043 -5.043 1532 2HD1 LEU 69 1HD1 LEU 69 11.051 -5.562 -5.562 1533 3HD1 LEU 69 3HD1 LEU 69 11.221 -3.906 -3.906 1534 1HD2 LEU 69 3HD2 LEU 69 12.025 -4.942 -4.942 1535 2HD2 LEU 69 2HD2 LEU 69 10.545 -4.371 -4.371 1536 3HD2 LEU 69 1HD2 LEU 69 11.197 -5.957 -5.957 1537 H MET 70 HN MET 70 13.794 -2.118 -2.118 1538 HA MET 70 HA MET 70 14.451 -0.003 -0.003 1539 1HB MET 70 2HB MET 70 15.000 1.489 1.489 1540 2HB MET 70 1HB MET 70 15.932 0.012 0.012 1541 1HG MET 70 2HG MET 70 14.320 -0.752 -0.752 1542 2HG MET 70 1HG MET 70 13.421 0.752 0.752 1543 1HE MET 70 3HE MET 70 13.386 1.099 1.099 1544 2HE MET 70 2HE MET 70 14.698 1.733 1.733 1545 3HE MET 70 1HE MET 70 14.546 -0.006 -0.006 1546 H ALA 71 HN ALA 71 13.184 2.012 2.012 1547 HA ALA 71 HA ALA 71 10.423 1.357 1.357 1548 1HB ALA 71 1HB ALA 71 10.634 1.392 1.392 1549 2HB ALA 71 3HB ALA 71 11.240 3.046 3.046 1550 3HB ALA 71 2HB ALA 71 9.589 2.685 2.685 1551 H VAL 72 HN VAL 72 9.347 2.836 2.836 1552 HA VAL 72 HA VAL 72 10.759 5.352 5.352 1553 HB VAL 72 HB VAL 72 10.670 3.857 3.857 1554 1HG1 VAL 72 1HG1 VAL 72 8.131 3.215 3.215 1555 2HG1 VAL 72 3HG1 VAL 72 7.853 4.052 4.052 1556 3HG1 VAL 72 2HG1 VAL 72 8.895 2.630 2.630 1557 1HG2 VAL 72 3HG2 VAL 72 10.061 6.506 6.506 1558 2HG2 VAL 72 2HG2 VAL 72 10.332 5.565 5.565 1559 3HG2 VAL 72 1HG2 VAL 72 8.689 5.849 5.849 1560 H SER 73 HN SER 73 9.762 6.705 6.705 1561 HA SER 73 HA SER 73 7.008 6.685 6.685 1562 1HB SER 73 2HB SER 73 9.301 8.116 8.116 1563 2HB SER 73 1HB SER 73 8.100 9.312 9.312 1564 HG SER 73 HG SER 73 7.623 7.156 7.156 1565 H CYS 74 HN CYS 74 5.311 7.932 7.932 1566 HA CYS 74 HA CYS 74 5.764 9.696 9.696 1567 1HB CYS 74 2HB CYS 74 5.087 7.318 7.318 1568 2HB CYS 74 1HB CYS 74 3.511 7.697 7.697 1569 HG CYS 74 HG CYS 74 2.976 8.716 8.716 1570 H ASP 75 HN ASP 75 5.386 11.348 11.348 1571 HA ASP 75 HA ASP 75 3.201 11.616 11.616 1572 1HB ASP 75 2HB ASP 75 4.637 13.795 13.795 1573 2HB ASP 75 1HB ASP 75 3.573 14.059 14.059 1574 H THR 76 HN THR 76 1.222 12.779 12.779 1575 HA THR 76 HA THR 76 -0.257 12.170 12.170 1576 HB THR 76 HB THR 76 -2.106 13.026 13.026 1577 HG1 THR 76 1HG THR 76 -0.361 14.732 14.732 1578 1HG2 THR 76 2HG2 THR 76 -0.741 11.321 11.321 1579 2HG2 THR 76 1HG2 THR 76 -0.438 12.704 12.704 1580 3HG2 THR 76 3HG2 THR 76 -2.092 12.180 12.180 1581 H PHE 77 HN PHE 77 -0.372 13.219 13.219 1582 HA PHE 77 HA PHE 77 0.103 16.121 16.121 1583 1HB PHE 77 2HB PHE 77 1.446 15.964 15.964 1584 2HB PHE 77 1HB PHE 77 2.110 14.837 14.837 1585 HD1 PHE 77 2HD PHE 77 1.180 12.384 12.384 1586 HD2 PHE 77 1HD PHE 77 1.112 15.241 15.241 1587 HE1 PHE 77 2HE PHE 77 1.004 10.560 10.560 1588 HE2 PHE 77 1HE PHE 77 0.935 13.423 13.423 1589 HZ PHE 77 HZ PHE 77 0.881 11.079 11.079 1590 H ASN 78 HN ASN 78 -0.465 16.910 16.910 1591 HA ASN 78 HA ASN 78 -3.135 15.811 15.811 1592 1HB ASN 78 2HB ASN 78 -2.122 18.565 18.565 1593 2HB ASN 78 1HB ASN 78 -3.169 18.296 18.296 1594 1HD2 ASN 78 2HD2 ASN 78 -4.645 18.294 18.294 1595 2HD2 ASN 78 1HD2 ASN 78 -2.946 18.340 18.340 1596 H ALA 79 HN ALA 79 -3.473 14.967 14.967 1597 HA ALA 79 HA ALA 79 -1.350 15.132 15.132 1598 1HB ALA 79 2HB ALA 79 -2.518 12.976 12.976 1599 2HB ALA 79 1HB ALA 79 -3.866 13.521 13.521 1600 3HB ALA 79 3HB ALA 79 -2.285 13.238 13.238 1601 H ALA 80 HN ALA 80 -3.438 17.313 17.313 1602 HA ALA 80 HA ALA 80 -4.699 17.554 17.554 1603 1HB ALA 80 2HB ALA 80 -5.599 18.145 18.145 1604 2HB ALA 80 1HB ALA 80 -5.230 19.724 19.724 1605 3HB ALA 80 3HB ALA 80 -6.352 18.636 18.636 1606 H THR 81 HN THR 81 -2.225 18.970 18.970 1607 HA THR 81 HA THR 81 -1.470 20.705 20.705 1608 HB THR 81 HB THR 81 -0.920 22.514 22.514 1609 HG1 THR 81 1HG THR 81 -2.343 20.977 20.977 1610 1HG2 THR 81 1HG2 THR 81 -3.113 22.499 22.499 1611 2HG2 THR 81 3HG2 THR 81 -3.787 21.653 21.653 1612 3HG2 THR 81 2HG2 THR 81 -3.141 23.285 23.285 1613 H GLU 82 HN GLU 82 -0.348 18.232 18.232 1614 HA GLU 82 HA GLU 82 2.381 19.026 19.026 1615 1HB GLU 82 2HB GLU 82 0.817 16.857 16.857 1616 2HB GLU 82 1HB GLU 82 2.568 16.758 16.758 1617 1HG GLU 82 2HG GLU 82 1.130 19.113 19.113 1618 2HG GLU 82 1HG GLU 82 1.671 17.727 17.727 1619 H ASP 83 HN ASP 83 3.862 18.150 18.150 1620 HA ASP 83 HA ASP 83 3.176 16.906 16.906 1621 1HB ASP 83 2HB ASP 83 5.651 16.185 16.185 1622 2HB ASP 83 1HB ASP 83 5.298 17.909 17.909 1623 H LEU 84 HN LEU 84 2.848 14.861 14.861 1624 HA LEU 84 HA LEU 84 3.250 12.708 12.708 1625 1HB LEU 84 2HB LEU 84 1.046 12.904 12.904 1626 2HB LEU 84 1HB LEU 84 1.272 11.601 11.601 1627 HG LEU 84 HG LEU 84 0.835 14.423 14.423 1628 1HD1 LEU 84 1HD1 LEU 84 -1.227 12.408 12.408 1629 2HD1 LEU 84 3HD1 LEU 84 -1.580 13.731 13.731 1630 3HD1 LEU 84 2HD1 LEU 84 -1.047 14.080 14.080 1631 1HD2 LEU 84 3HD2 LEU 84 1.659 12.715 12.715 1632 2HD2 LEU 84 2HD2 LEU 84 0.066 13.340 13.340 1633 3HD2 LEU 84 1HD2 LEU 84 0.218 11.753 11.753 1634 H ASN 85 HN ASN 85 4.884 13.755 13.755 1635 HA ASN 85 HA ASN 85 5.399 11.133 11.133 1636 1HB ASN 85 2HB ASN 85 3.866 12.580 12.580 1637 2HB ASN 85 1HB ASN 85 5.312 13.538 13.538 1638 1HD2 ASN 85 2HD2 ASN 85 5.492 11.316 11.316 1639 2HD2 ASN 85 1HD2 ASN 85 4.829 12.822 12.822 1640 H ASN 86 HN ASN 86 6.673 13.116 13.116 1641 HA ASN 86 HA ASN 86 9.300 13.151 13.151 1642 1HB ASN 86 2HB ASN 86 7.974 15.384 15.384 1643 2HB ASN 86 1HB ASN 86 9.722 15.306 15.306 1644 1HD2 ASN 86 2HD2 ASN 86 7.346 16.003 16.003 1645 2HD2 ASN 86 1HD2 ASN 86 6.732 15.138 15.138 1646 H ASP 87 HN ASP 87 7.595 11.808 11.808 1647 HA ASP 87 HA ASP 87 9.693 12.008 12.008 1648 1HB ASP 87 2HB ASP 87 6.942 10.753 10.753 1649 2HB ASP 87 1HB ASP 87 8.079 10.729 10.729 1650 H ARG 88 HN ARG 88 11.275 10.556 10.556 1651 HA ARG 88 HA ARG 88 10.698 7.758 7.758 1652 1HB ARG 88 2HB ARG 88 12.540 7.564 7.564 1653 2HB ARG 88 1HB ARG 88 11.107 8.412 8.412 1654 1HG ARG 88 2HG ARG 88 12.178 10.405 10.405 1655 2HG ARG 88 1HG ARG 88 13.286 10.051 10.051 1656 1HD ARG 88 2HD ARG 88 14.306 10.148 10.148 1657 2HD ARG 88 1HD ARG 88 14.652 8.700 8.700 1658 HE ARG 88 HE ARG 88 12.416 8.117 8.117 1659 1HH1 ARG 88 1HH2 ARG 88 15.722 9.031 9.031 1660 2HH1 ARG 88 2HH2 ARG 88 15.818 8.194 8.194 1661 1HH2 ARG 88 1HH1 ARG 88 12.531 7.008 7.008 1662 2HH2 ARG 88 2HH1 ARG 88 14.003 7.044 7.044 1663 H ILE 89 HN ILE 89 11.947 6.471 6.471 1664 HA ILE 89 HA ILE 89 13.946 7.700 7.700 1665 HB ILE 89 HB ILE 89 13.162 4.789 4.789 1666 1HG1 ILE 89 2HG1 ILE 89 11.866 7.033 7.033 1667 2HG1 ILE 89 1HG1 ILE 89 11.137 6.190 6.190 1668 1HG2 ILE 89 1HG2 ILE 89 14.641 6.579 6.579 1669 2HG2 ILE 89 3HG2 ILE 89 13.683 5.265 5.265 1670 3HG2 ILE 89 2HG2 ILE 89 14.972 4.911 4.911 1671 1HD1 ILE 89 1HD1 ILE 89 11.955 4.250 4.250 1672 2HD1 ILE 89 3HD1 ILE 89 11.060 5.514 5.514 1673 3HD1 ILE 89 2HD1 ILE 89 10.322 4.673 4.673 1674 H THR 90 HN THR 90 16.053 6.541 6.541 1675 HA THR 90 HA THR 90 17.025 5.121 5.121 1676 HB THR 90 HB THR 90 18.769 7.298 7.298 1677 HG1 THR 90 1HG THR 90 17.254 8.689 8.689 1678 1HG2 THR 90 1HG2 THR 90 19.482 5.695 5.695 1679 2HG2 THR 90 3HG2 THR 90 18.269 6.442 6.442 1680 3HG2 THR 90 2HG2 THR 90 19.605 7.405 7.405 1681 H ILE 91 HN ILE 91 18.090 3.381 3.381 1682 HA ILE 91 HA ILE 91 19.324 3.359 3.359 1683 HB ILE 91 HB ILE 91 18.561 0.971 0.971 1684 1HG1 ILE 91 2HG1 ILE 91 16.824 0.876 0.876 1685 2HG1 ILE 91 1HG1 ILE 91 17.011 2.624 2.624 1686 1HG2 ILE 91 3HG2 ILE 91 20.147 1.274 1.274 1687 2HG2 ILE 91 2HG2 ILE 91 18.672 0.406 0.406 1688 3HG2 ILE 91 1HG2 ILE 91 19.712 -0.205 -0.205 1689 1HD1 ILE 91 3HD1 ILE 91 16.415 2.462 2.462 1690 2HD1 ILE 91 2HD1 ILE 91 16.081 0.748 0.748 1691 3HD1 ILE 91 1HD1 ILE 91 15.128 1.964 1.964 1692 H GLU 92 HN GLU 92 21.329 4.214 4.214 1693 HA GLU 92 HA GLU 92 22.898 2.817 2.817 1694 1HB GLU 92 2HB GLU 92 23.718 5.292 5.292 1695 2HB GLU 92 1HB GLU 92 24.371 4.684 4.684 1696 1HG GLU 92 2HG GLU 92 21.966 5.056 5.056 1697 2HG GLU 92 1HG GLU 92 21.800 6.107 6.107 1698 H TRP 93 HN TRP 93 24.314 1.310 1.310 1699 HA TRP 93 HA TRP 93 25.575 1.479 1.479 1700 1HB TRP 93 2HB TRP 93 25.227 -0.832 -0.832 1701 2HB TRP 93 1HB TRP 93 23.665 -0.182 -0.182 1702 HD1 TRP 93 1HD TRP 93 25.963 -2.978 -2.978 1703 HE1 TRP 93 1HE TRP 93 25.215 -4.258 -4.258 1704 HE3 TRP 93 3HE TRP 93 22.569 0.380 0.380 1705 HZ2 TRP 93 2HZ TRP 93 23.424 -3.892 -3.892 1706 HZ3 TRP 93 3HZ TRP 93 21.382 -0.161 -0.161 1707 HH2 TRP 93 2HH TRP 93 21.803 -2.253 -2.253 1708 H THR 94 HN THR 94 27.682 0.763 0.763 1709 HA THR 94 HA THR 94 28.903 -0.342 -0.342 1710 HB THR 94 HB THR 94 29.247 2.050 2.050 1711 HG1 THR 94 1HG THR 94 31.044 0.464 0.464 1712 1HG2 THR 94 3HG2 THR 94 29.466 2.036 2.036 1713 2HG2 THR 94 2HG2 THR 94 31.027 2.554 2.554 1714 3HG2 THR 94 1HG2 THR 94 29.558 3.415 3.415 1715 H ASN 95 HN ASN 95 30.504 -1.788 -1.788 1716 HA ASN 95 HA ASN 95 30.738 -3.062 -3.062 1717 1HB ASN 95 2HB ASN 95 31.559 -3.836 -3.836 1718 2HB ASN 95 1HB ASN 95 33.020 -2.909 -2.909 1719 1HD2 ASN 95 2HD2 ASN 95 32.743 -6.600 -6.600 1720 2HD2 ASN 95 1HD2 ASN 95 31.789 -5.900 -5.900 1721 H THR 96 HN THR 96 32.168 -3.005 -3.005 1722 HA THR 96 HA THR 96 33.327 -0.412 -0.412 1723 HB THR 96 HB THR 96 33.993 -1.747 -1.747 1724 HG1 THR 96 1HG THR 96 33.423 -3.783 -3.783 1725 1HG2 THR 96 2HG2 THR 96 31.883 -0.107 -0.107 1726 2HG2 THR 96 1HG2 THR 96 31.107 -1.534 -1.534 1727 3HG2 THR 96 3HG2 THR 96 32.321 -0.658 -0.658 1728 HA PRO 97 HA PRO 97 37.430 -1.523 -1.523 1729 1HB PRO 97 2HB PRO 97 38.818 0.415 0.415 1730 2HB PRO 97 1HB PRO 97 37.824 0.740 0.740 1731 1HG PRO 97 2HG PRO 97 37.182 1.162 1.162 1732 2HG PRO 97 1HG PRO 97 36.869 2.228 2.228 1733 1HD PRO 97 2HD PRO 97 34.960 0.637 0.637 1734 2HD PRO 97 1HD PRO 97 34.985 1.065 1.065 1735 H ASP 98 HN ASP 98 39.460 -2.262 -2.262 1736 HA ASP 98 HA ASP 98 39.313 -4.075 -4.075 1737 1HB ASP 98 2HB ASP 98 41.811 -2.580 -2.580 1738 2HB ASP 98 1HB ASP 98 41.742 -4.153 -4.153 1739 H GLY 99 HN GLY 99 39.334 -4.007 -4.007 1740 1HA GLY 99 2HA GLY 99 39.441 -3.193 -3.193 1741 2HA GLY 99 1HA GLY 99 40.760 -2.179 -2.179 1742 H ALA 100 HN ALA 100 37.412 -2.119 -2.119 1743 HA ALA 100 HA ALA 100 37.261 0.713 0.713 1744 1HB ALA 100 2HB ALA 100 35.320 -1.409 -1.409 1745 2HB ALA 100 1HB ALA 100 34.780 0.246 0.246 1746 3HB ALA 100 3HB ALA 100 36.002 -0.085 -0.085 1747 H ALA 101 HN ALA 101 36.417 1.914 1.914 1748 HA ALA 101 HA ALA 101 36.149 0.950 0.950 1749 1HB ALA 101 2HB ALA 101 34.993 3.431 3.431 1750 2HB ALA 101 1HB ALA 101 34.976 3.097 3.097 1751 3HB ALA 101 3HB ALA 101 36.512 3.279 3.279 1752 H LYS 102 HN LYS 102 34.225 1.019 1.019 1753 HA LYS 102 HA LYS 102 32.057 -0.449 -0.449 1754 1HB LYS 102 2HB LYS 102 33.031 -0.104 -0.104 1755 2HB LYS 102 1HB LYS 102 31.325 -0.463 -0.463 1756 1HG LYS 102 2HG LYS 102 32.951 -2.211 -2.211 1757 2HG LYS 102 1HG LYS 102 33.438 -2.274 -2.274 1758 1HD LYS 102 2HD LYS 102 30.536 -2.387 -2.387 1759 2HD LYS 102 1HD LYS 102 31.529 -3.830 -3.830 1760 1HE LYS 102 2HE LYS 102 32.044 -3.957 -3.957 1761 2HE LYS 102 1HE LYS 102 31.555 -2.289 -2.289 1762 1HZ LYS 102 2HZ LYS 102 29.298 -3.486 -3.486 1763 2HZ LYS 102 1HZ LYS 102 29.981 -4.678 -4.678 1764 3HZ LYS 102 3HZ LYS 102 29.634 -3.148 -3.148 1765 H GLN 103 HN GLN 103 31.486 1.583 1.583 1766 HA GLN 103 HA GLN 103 29.096 2.624 2.624 1767 1HB GLN 103 2HB GLN 103 31.125 3.768 3.768 1768 2HB GLN 103 1HB GLN 103 30.910 4.933 4.933 1769 1HG GLN 103 2HG GLN 103 29.258 5.805 5.805 1770 2HG GLN 103 1HG GLN 103 28.331 4.348 4.348 1771 1HE2 GLN 103 2HE2 GLN 103 28.023 4.337 4.337 1772 2HE2 GLN 103 1HE2 GLN 103 27.298 4.888 4.888 1773 H PHE 104 HN PHE 104 28.071 3.903 3.903 1774 HA PHE 104 HA PHE 104 28.916 3.679 3.679 1775 1HB PHE 104 2HB PHE 104 26.579 4.013 4.013 1776 2HB PHE 104 1HB PHE 104 26.933 5.606 5.606 1777 HD1 PHE 104 1HD PHE 104 26.578 3.635 3.635 1778 HD2 PHE 104 2HD PHE 104 27.289 7.499 7.499 1779 HE1 PHE 104 1HE PHE 104 26.166 4.641 4.641 1780 HE2 PHE 104 2HE PHE 104 26.878 8.512 8.512 1781 HZ PHE 104 HZ PHE 104 26.316 7.083 7.083 1782 H ARG 105 HN ARG 105 30.571 4.631 4.631 1783 HA ARG 105 HA ARG 105 31.402 7.305 7.305 1784 1HB ARG 105 2HB ARG 105 32.844 4.916 4.916 1785 2HB ARG 105 1HB ARG 105 33.380 6.362 6.362 1786 1HG ARG 105 2HG ARG 105 33.139 6.257 6.257 1787 2HG ARG 105 1HG ARG 105 34.600 5.753 5.753 1788 1HD ARG 105 2HD ARG 105 35.167 7.921 7.921 1789 2HD ARG 105 1HD ARG 105 34.200 8.135 8.135 1790 HE ARG 105 HE ARG 105 32.630 9.248 9.248 1791 1HH1 ARG 105 1HH2 ARG 105 34.800 7.560 7.560 1792 2HH1 ARG 105 2HH2 ARG 105 34.170 8.296 8.296 1793 1HH2 ARG 105 1HH1 ARG 105 31.789 10.225 10.225 1794 2HH2 ARG 105 2HH1 ARG 105 32.456 9.813 9.813 1795 H ARG 106 HN ARG 106 31.983 8.891 8.891 1796 HA ARG 106 HA ARG 106 30.284 8.781 8.781 1797 1HB ARG 106 2HB ARG 106 30.682 11.126 11.126 1798 2HB ARG 106 1HB ARG 106 30.411 10.796 10.796 1799 1HG ARG 106 2HG ARG 106 32.972 10.682 10.682 1800 2HG ARG 106 1HG ARG 106 32.964 11.484 11.484 1801 1HD ARG 106 2HD ARG 106 31.293 13.116 13.116 1802 2HD ARG 106 1HD ARG 106 32.058 12.494 12.494 1803 HE ARG 106 HE ARG 106 34.028 13.283 13.283 1804 1HH1 ARG 106 1HH2 ARG 106 31.658 14.604 14.604 1805 2HH1 ARG 106 2HH2 ARG 106 32.525 16.081 16.081 1806 1HH2 ARG 106 1HH1 ARG 106 35.178 15.225 15.225 1807 2HH2 ARG 106 2HH1 ARG 106 34.527 16.435 16.435 1808 H GLU 107 HN GLU 107 33.656 8.580 8.580 1809 HA GLU 107 HA GLU 107 34.787 9.227 9.227 1810 1HB GLU 107 2HB GLU 107 36.768 8.096 8.096 1811 2HB GLU 107 1HB GLU 107 36.052 8.956 8.956 1812 1HG GLU 107 2HG GLU 107 34.900 6.660 6.660 1813 2HG GLU 107 1HG GLU 107 36.222 6.028 6.028 1814 H TRP 108 HN TRP 108 33.310 6.280 6.280 1815 HA TRP 108 HA TRP 108 34.231 4.436 4.436 1816 1HB TRP 108 2HB TRP 108 31.472 4.641 4.641 1817 2HB TRP 108 1HB TRP 108 32.107 3.218 3.218 1818 HD1 TRP 108 1HD TRP 108 35.075 4.001 4.001 1819 HE1 TRP 108 1HE TRP 108 35.294 3.011 3.011 1820 HE3 TRP 108 3HE TRP 108 30.150 2.977 2.977 1821 HZ2 TRP 108 2HZ TRP 108 33.601 1.939 1.939 1822 HZ3 TRP 108 3HZ TRP 108 29.532 1.970 1.970 1823 HH2 TRP 108 2HH TRP 108 31.224 1.461 1.461 1824 H PHE 109 HN PHE 109 31.847 6.964 6.964 1825 HA PHE 109 HA PHE 109 31.002 5.999 5.999 1826 1HB PHE 109 2HB PHE 109 30.201 8.286 8.286 1827 2HB PHE 109 1HB PHE 109 29.740 8.284 8.284 1828 HD1 PHE 109 1HD PHE 109 29.767 5.857 5.857 1829 HD2 PHE 109 2HD PHE 109 27.633 7.521 7.521 1830 HE1 PHE 109 1HE PHE 109 27.840 4.423 4.423 1831 HE2 PHE 109 2HE PHE 109 25.701 6.092 6.092 1832 HZ PHE 109 HZ PHE 109 25.803 4.539 4.539 1833 H GLN 110 HN GLN 110 33.078 8.469 8.469 1834 HA GLN 110 HA GLN 110 33.679 9.478 9.478 1835 1HB GLN 110 2HB GLN 110 34.611 10.662 10.662 1836 2HB GLN 110 1HB GLN 110 34.573 11.429 11.429 1837 1HG GLN 110 2HG GLN 110 31.987 10.947 10.947 1838 2HG GLN 110 1HG GLN 110 32.381 10.968 10.968 1839 1HE2 GLN 110 2HE2 GLN 110 31.442 14.376 14.376 1840 2HE2 GLN 110 1HE2 GLN 110 30.705 12.818 12.818 1841 H GLY 111 HN GLY 111 34.641 6.918 6.918 1842 1HA GLY 111 2HA GLY 111 37.539 7.473 7.473 1843 2HA GLY 111 1HA GLY 111 36.873 6.199 6.199 1844 H ASP 112 HN ASP 112 37.974 4.527 4.527 1845 HA ASP 112 HA ASP 112 37.715 4.136 4.136 1846 1HB ASP 112 2HB ASP 112 39.401 2.987 2.987 1847 2HB ASP 112 1HB ASP 112 39.045 1.946 1.946 1848 H GLY 113 HN GLY 113 36.902 2.175 2.175 1849 1HA GLY 113 2HA GLY 113 35.769 0.047 0.047 1850 2HA GLY 113 1HA GLY 113 35.019 0.723 0.723 1851 H MET 114 HN MET 114 33.159 -0.279 -0.279 1852 HA MET 114 HA MET 114 32.064 1.805 1.805 1853 1HB MET 114 2HB MET 114 32.452 -0.939 -0.939 1854 2HB MET 114 1HB MET 114 30.720 -0.724 -0.724 1855 1HG MET 114 2HG MET 114 32.048 1.262 1.262 1856 2HG MET 114 1HG MET 114 32.009 -0.389 -0.389 1857 1HE MET 114 1HE MET 114 30.205 -1.773 -1.773 1858 2HE MET 114 3HE MET 114 28.485 -1.383 -1.383 1859 3HE MET 114 2HE MET 114 29.470 -1.002 -1.002 1860 H VAL 115 HN VAL 115 30.158 2.695 2.695 1861 HA VAL 115 HA VAL 115 28.801 1.647 1.647 1862 HB VAL 115 HB VAL 115 28.593 4.406 4.406 1863 1HG1 VAL 115 3HG1 VAL 115 26.612 3.625 3.625 1864 2HG1 VAL 115 2HG1 VAL 115 27.653 3.412 3.412 1865 3HG1 VAL 115 1HG1 VAL 115 27.414 5.020 5.020 1866 1HG2 VAL 115 1HG2 VAL 115 30.833 3.962 3.962 1867 2HG2 VAL 115 3HG2 VAL 115 29.970 5.154 5.154 1868 3HG2 VAL 115 2HG2 VAL 115 30.121 3.492 3.492 1869 H ARG 116 HN ARG 116 26.864 0.744 0.744 1870 HA ARG 116 HA ARG 116 25.457 0.981 0.981 1871 1HB ARG 116 2HB ARG 116 26.038 -1.235 -1.235 1872 2HB ARG 116 1HB ARG 116 24.504 -0.854 -0.854 1873 1HG ARG 116 2HG ARG 116 23.489 -1.880 -1.880 1874 2HG ARG 116 1HG ARG 116 24.039 -0.582 -0.582 1875 1HD ARG 116 2HD ARG 116 26.108 -2.556 -2.556 1876 2HD ARG 116 1HD ARG 116 24.678 -3.258 -3.258 1877 HE ARG 116 HE ARG 116 26.602 -1.558 -1.558 1878 1HH1 ARG 116 1HH2 ARG 116 23.227 -2.418 -2.418 1879 2HH1 ARG 116 2HH2 ARG 116 22.975 -1.955 -1.955 1880 1HH2 ARG 116 1HH1 ARG 116 26.281 -0.949 -0.949 1881 2HH2 ARG 116 2HH1 ARG 116 24.711 -1.120 -1.120 1882 H ARG 117 HN ARG 117 24.087 2.644 2.644 1883 HA ARG 117 HA ARG 117 22.535 3.309 3.309 1884 1HB ARG 117 2HB ARG 117 21.987 5.410 5.410 1885 2HB ARG 117 1HB ARG 117 23.647 5.229 5.229 1886 1HG ARG 117 2HG ARG 117 24.433 4.735 4.735 1887 2HG ARG 117 1HG ARG 117 22.818 4.358 4.358 1888 1HD ARG 117 2HD ARG 117 23.683 6.537 6.537 1889 2HD ARG 117 1HD ARG 117 22.180 6.674 6.674 1890 HE ARG 117 HE ARG 117 24.404 7.025 7.025 1891 1HH1 ARG 117 1HH2 ARG 117 22.592 8.637 8.637 1892 2HH1 ARG 117 2HH2 ARG 117 22.978 10.227 10.227 1893 1HH2 ARG 117 1HH1 ARG 117 24.919 9.113 9.113 1894 2HH2 ARG 117 2HH1 ARG 117 24.302 10.498 10.498 1895 H LYS 118 HN LYS 118 20.565 2.494 2.494 1896 HA LYS 118 HA LYS 118 19.108 1.878 1.878 1897 1HB LYS 118 2HB LYS 118 19.431 0.498 0.498 1898 2HB LYS 118 1HB LYS 118 17.731 0.909 0.909 1899 1HG LYS 118 2HG LYS 118 17.527 -0.322 -0.322 1900 2HG LYS 118 1HG LYS 118 19.274 -0.399 -0.399 1901 1HD LYS 118 2HD LYS 118 19.366 -2.317 -2.317 1902 2HD LYS 118 1HD LYS 118 18.631 -1.554 -1.554 1903 1HE LYS 118 2HE LYS 118 16.532 -2.283 -2.283 1904 2HE LYS 118 1HE LYS 118 16.853 -2.298 -2.298 1905 1HZ LYS 118 2HZ LYS 118 18.425 -4.236 -4.236 1906 2HZ LYS 118 1HZ LYS 118 17.502 -4.336 -4.336 1907 3HZ LYS 118 3HZ LYS 118 16.761 -4.525 -4.525 1908 H ASN 119 HN ASN 119 16.817 2.361 2.361 1909 HA ASN 119 HA ASN 119 15.919 4.476 4.476 1910 1HB ASN 119 2HB ASN 119 15.026 5.655 5.655 1911 2HB ASN 119 1HB ASN 119 16.703 5.884 5.884 1912 1HD2 ASN 119 2HD2 ASN 119 17.993 4.664 4.664 1913 2HD2 ASN 119 1HD2 ASN 119 18.204 5.537 5.537 1914 H LEU 120 HN LEU 120 13.908 4.149 4.149 1915 HA LEU 120 HA LEU 120 12.175 2.400 2.400 1916 1HB LEU 120 2HB LEU 120 12.614 2.668 2.668 1917 2HB LEU 120 1HB LEU 120 10.995 2.274 2.274 1918 HG LEU 120 HG LEU 120 12.249 0.402 0.402 1919 1HD1 LEU 120 3HD1 LEU 120 14.212 1.239 1.239 1920 2HD1 LEU 120 2HD1 LEU 120 14.100 -0.454 -0.454 1921 3HD1 LEU 120 1HD1 LEU 120 14.488 0.781 0.781 1922 1HD2 LEU 120 3HD2 LEU 120 10.592 0.301 0.301 1923 2HD2 LEU 120 2HD2 LEU 120 11.565 -1.116 -1.116 1924 3HD2 LEU 120 1HD2 LEU 120 12.035 -0.072 -0.072 1925 HA PRO 121 HA PRO 121 9.868 6.255 6.255 1926 1HB PRO 121 2HB PRO 121 7.876 5.209 5.209 1927 2HB PRO 121 1HB PRO 121 9.453 5.693 5.693 1928 1HG PRO 121 2HG PRO 121 8.464 2.967 2.967 1929 2HG PRO 121 1HG PRO 121 9.418 3.468 3.468 1930 1HD PRO 121 2HD PRO 121 10.545 2.280 2.280 1931 2HD PRO 121 1HD PRO 121 11.393 3.523 3.523 1932 H ILE 122 HN ILE 122 8.100 7.130 7.130 1933 HA ILE 122 HA ILE 122 6.665 5.398 5.398 1934 HB ILE 122 HB ILE 122 6.670 8.414 8.414 1935 1HG1 ILE 122 2HG1 ILE 122 8.893 7.480 7.480 1936 2HG1 ILE 122 1HG1 ILE 122 8.194 8.365 8.365 1937 1HG2 ILE 122 2HG2 ILE 122 5.320 6.457 6.457 1938 2HG2 ILE 122 1HG2 ILE 122 5.940 7.937 7.937 1939 3HG2 ILE 122 3HG2 ILE 122 4.771 8.029 8.029 1940 1HD1 ILE 122 2HD1 ILE 122 7.336 5.914 5.914 1941 2HD1 ILE 122 1HD1 ILE 122 8.801 5.494 5.494 1942 3HD1 ILE 122 3HD1 ILE 122 8.896 6.548 6.548 1943 H GLU 123 HN GLU 123 4.383 5.441 5.441 1944 HA GLU 123 HA GLU 123 2.921 6.612 6.612 1945 1HB GLU 123 2HB GLU 123 3.469 3.859 3.859 1946 2HB GLU 123 1HB GLU 123 1.773 4.069 4.069 1947 1HG GLU 123 2HG GLU 123 2.658 5.483 5.483 1948 2HG GLU 123 1HG GLU 123 2.707 3.723 3.723 1949 H TYR 124 HN TYR 124 0.638 6.852 6.852 1950 HA TYR 124 HA TYR 124 -0.114 6.787 6.787 1951 1HB TYR 124 2HB TYR 124 -1.006 8.965 8.965 1952 2HB TYR 124 1HB TYR 124 -1.107 8.933 8.933 1953 HD1 TYR 124 1HD TYR 124 1.220 9.254 9.254 1954 HD2 TYR 124 2HD TYR 124 0.698 9.693 9.693 1955 HE1 TYR 124 1HE TYR 124 3.361 10.455 10.455 1956 HE2 TYR 124 2HE TYR 124 2.836 10.897 10.897 1957 HH TYR 124 HH TYR 124 4.316 12.210 12.210 1958 H ASN 125 HN ASN 125 -1.562 5.183 5.183 1959 HA ASN 125 HA ASN 125 -3.461 4.769 4.769 1960 1HB ASN 125 2HB ASN 125 -2.295 3.141 3.141 1961 2HB ASN 125 1HB ASN 125 -4.034 3.148 3.148 1962 1HD2 ASN 125 2HD2 ASN 125 -4.331 0.591 0.591 1963 2HD2 ASN 125 1HD2 ASN 125 -4.579 1.173 1.173 1964 H LEU 126 HN LEU 126 -4.508 6.840 6.840 1965 HA LEU 126 HA LEU 126 -5.938 7.483 7.483 1966 1HB LEU 126 2HB LEU 126 -6.084 8.524 8.524 1967 2HB LEU 126 1HB LEU 126 -7.112 9.134 9.134 1968 HG LEU 126 HG LEU 126 -4.099 9.190 9.190 1969 1HD1 LEU 126 1HD1 LEU 126 -6.048 11.114 11.114 1970 2HD1 LEU 126 3HD1 LEU 126 -4.592 11.718 11.718 1971 3HD1 LEU 126 2HD1 LEU 126 -4.459 10.618 10.618 1972 1HD2 LEU 126 2HD2 LEU 126 -6.328 10.188 10.188 1973 2HD2 LEU 126 1HD2 LEU 126 -4.793 9.453 9.453 1974 3HD2 LEU 126 3HD2 LEU 126 -4.838 11.127 11.127 Start of MODEL 19 1 1H ALA 1 3HN ALA 1 -46.164 2.225 2.225 2 2H ALA 1 2HN ALA 1 -47.278 3.325 3.325 3 3H ALA 1 1HN ALA 1 -45.982 3.909 3.909 4 HA ALA 1 HA ALA 1 -45.290 4.314 4.314 5 1HB ALA 1 3HB ALA 1 -47.088 3.092 3.092 6 2HB ALA 1 2HB ALA 1 -46.279 1.567 1.567 7 3HB ALA 1 1HB ALA 1 -45.520 2.733 2.733 8 H GLN 2 HN GLN 2 -43.216 4.418 4.418 9 HA GLN 2 HA GLN 2 -41.614 1.998 1.998 10 1HB GLN 2 2HB GLN 2 -42.175 3.378 3.378 11 2HB GLN 2 1HB GLN 2 -40.461 3.137 3.137 12 1HG GLN 2 2HG GLN 2 -40.581 0.918 0.918 13 2HG GLN 2 1HG GLN 2 -42.157 0.790 0.790 14 1HE2 GLN 2 2HE2 GLN 2 -44.005 1.007 1.007 15 2HE2 GLN 2 1HE2 GLN 2 -44.019 1.060 1.060 16 H SER 3 HN SER 3 -39.335 2.422 2.422 17 HA SER 3 HA SER 3 -38.857 4.947 4.947 18 1HB SER 3 2HB SER 3 -38.132 2.714 2.714 19 2HB SER 3 1HB SER 3 -36.925 2.648 2.648 20 HG SER 3 HG SER 3 -35.963 3.542 3.542 21 H VAL 4 HN VAL 4 -36.655 5.980 5.980 22 HA VAL 4 HA VAL 4 -36.356 6.473 6.473 23 HB VAL 4 HB VAL 4 -34.799 8.323 8.323 24 1HG1 VAL 4 1HG1 VAL 4 -37.150 8.633 8.633 25 2HG1 VAL 4 3HG1 VAL 4 -37.665 8.476 8.476 26 3HG1 VAL 4 2HG1 VAL 4 -36.624 9.815 9.815 27 1HG2 VAL 4 2HG2 VAL 4 -34.659 7.142 7.142 28 2HG2 VAL 4 1HG2 VAL 4 -34.722 8.902 8.902 29 3HG2 VAL 4 3HG2 VAL 4 -36.174 7.982 7.982 30 HA PRO 5 HA PRO 5 -32.570 4.314 4.314 31 1HB PRO 5 2HB PRO 5 -31.051 6.183 6.183 32 2HB PRO 5 1HB PRO 5 -32.301 5.187 5.187 33 1HG PRO 5 2HG PRO 5 -32.456 8.011 8.011 34 2HG PRO 5 1HG PRO 5 -33.138 7.291 7.291 35 1HD PRO 5 2HD PRO 5 -34.658 7.796 7.796 36 2HD PRO 5 1HD PRO 5 -34.936 6.368 6.368 37 HA PRO 6 HA PRO 6 -29.898 5.479 5.479 38 1HB PRO 6 2HB PRO 6 -27.766 3.898 3.898 39 2HB PRO 6 1HB PRO 6 -29.278 3.268 3.268 40 1HG PRO 6 2HG PRO 6 -28.311 3.276 3.276 41 2HG PRO 6 1HG PRO 6 -29.115 1.980 1.980 42 1HD PRO 6 2HD PRO 6 -30.429 3.567 3.567 43 2HD PRO 6 1HD PRO 6 -31.208 2.887 2.887 44 H GLY 7 HN GLY 7 -28.302 6.943 6.943 45 1HA GLY 7 2HA GLY 7 -27.352 8.534 8.534 46 2HA GLY 7 1HA GLY 7 -26.910 8.715 8.715 47 H ASP 8 HN ASP 8 -25.595 8.311 8.311 48 HA ASP 8 HA ASP 8 -23.877 6.148 6.148 49 1HB ASP 8 2HB ASP 8 -23.690 8.870 8.870 50 2HB ASP 8 1HB ASP 8 -22.296 7.796 7.796 51 H ILE 9 HN ILE 9 -22.331 5.566 5.566 52 HA ILE 9 HA ILE 9 -21.273 7.535 7.535 53 HB ILE 9 HB ILE 9 -20.326 5.595 5.595 54 1HG1 ILE 9 2HG1 ILE 9 -21.859 3.547 3.547 55 2HG1 ILE 9 1HG1 ILE 9 -20.711 4.292 4.292 56 1HG2 ILE 9 2HG2 ILE 9 -23.200 5.960 5.960 57 2HG2 ILE 9 1HG2 ILE 9 -22.749 4.462 4.462 58 3HG2 ILE 9 3HG2 ILE 9 -22.312 6.016 6.016 59 1HD1 ILE 9 3HD1 ILE 9 -18.920 3.843 3.843 60 2HD1 ILE 9 2HD1 ILE 9 -20.102 2.965 2.965 61 3HD1 ILE 9 1HD1 ILE 9 -19.686 2.392 2.392 62 H ASN 10 HN ASN 10 -19.276 8.343 8.343 63 HA ASN 10 HA ASN 10 -17.618 7.812 7.812 64 1HB ASN 10 2HB ASN 10 -17.700 9.702 9.702 65 2HB ASN 10 1HB ASN 10 -16.059 9.097 9.097 66 1HD2 ASN 10 2HD2 ASN 10 -17.149 12.023 12.023 67 2HD2 ASN 10 1HD2 ASN 10 -17.665 11.656 11.656 68 H THR 11 HN THR 11 -15.612 6.793 6.793 69 HA THR 11 HA THR 11 -14.746 5.242 5.242 70 HB THR 11 HB THR 11 -14.325 3.413 3.413 71 HG1 THR 11 1HG THR 11 -16.890 4.437 4.437 72 1HG2 THR 11 2HG2 THR 11 -15.759 3.438 3.438 73 2HG2 THR 11 1HG2 THR 11 -17.044 3.257 3.257 74 3HG2 THR 11 3HG2 THR 11 -15.723 2.091 2.091 75 H GLN 12 HN GLN 12 -12.577 4.981 4.981 76 HA GLN 12 HA GLN 12 -10.891 5.790 5.790 77 1HB GLN 12 2HB GLN 12 -10.501 6.742 6.742 78 2HB GLN 12 1HB GLN 12 -9.480 7.132 7.132 79 1HG GLN 12 2HG GLN 12 -11.359 8.299 8.299 80 2HG GLN 12 1HG GLN 12 -12.362 7.928 7.928 81 1HE2 GLN 12 2HE2 GLN 12 -10.881 11.366 11.366 82 2HE2 GLN 12 1HE2 GLN 12 -11.738 10.518 10.518 83 HA PRO 13 HA PRO 13 -9.280 4.976 4.976 84 1HB PRO 13 2HB PRO 13 -9.350 2.128 2.128 85 2HB PRO 13 1HB PRO 13 -8.187 3.384 3.384 86 1HG PRO 13 2HG PRO 13 -7.547 1.432 1.432 87 2HG PRO 13 1HG PRO 13 -6.950 3.087 3.087 88 1HD PRO 13 2HD PRO 13 -9.192 1.676 1.676 89 2HD PRO 13 1HD PRO 13 -7.953 2.760 2.760 90 H SER 14 HN SER 14 -10.739 5.083 5.083 91 HA SER 14 HA SER 14 -13.456 4.681 4.681 92 1HB SER 14 2HB SER 14 -12.009 5.559 5.559 93 2HB SER 14 1HB SER 14 -13.737 5.216 5.216 94 HG SER 14 HG SER 14 -13.939 7.175 7.175 95 H GLN 15 HN GLN 15 -11.202 2.902 2.902 96 HA GLN 15 HA GLN 15 -12.557 0.459 0.459 97 1HB GLN 15 2HB GLN 15 -13.437 0.142 0.142 98 2HB GLN 15 1HB GLN 15 -14.245 1.466 1.466 99 1HG GLN 15 2HG GLN 15 -12.051 2.570 2.570 100 2HG GLN 15 1HG GLN 15 -12.879 1.476 1.476 101 1HE2 GLN 15 2HE2 GLN 15 -14.554 4.612 4.612 102 2HE2 GLN 15 1HE2 GLN 15 -13.076 3.804 3.804 103 H LYS 16 HN LYS 16 -9.951 1.076 1.076 104 HA LYS 16 HA LYS 16 -8.670 -0.785 -0.785 105 1HB LYS 16 2HB LYS 16 -8.847 1.548 1.548 106 2HB LYS 16 1HB LYS 16 -7.419 1.900 1.900 107 1HG LYS 16 2HG LYS 16 -6.166 0.221 0.221 108 2HG LYS 16 1HG LYS 16 -7.599 -0.593 -0.593 109 1HD LYS 16 2HD LYS 16 -7.964 1.602 1.602 110 2HD LYS 16 1HD LYS 16 -6.262 1.904 1.904 111 1HE LYS 16 2HE LYS 16 -5.874 0.733 0.733 112 2HE LYS 16 1HE LYS 16 -6.199 -0.679 -0.679 113 1HZ LYS 16 2HZ LYS 16 -8.608 0.458 0.458 114 2HZ LYS 16 1HZ LYS 16 -7.554 0.070 0.070 115 3HZ LYS 16 3HZ LYS 16 -8.021 -1.121 -1.121 116 H ILE 17 HN ILE 17 -7.334 -1.790 -1.790 117 HA ILE 17 HA ILE 17 -5.626 -0.230 -0.230 118 HB ILE 17 HB ILE 17 -7.490 -0.924 -0.924 119 1HG1 ILE 17 2HG1 ILE 17 -5.258 -2.814 -2.814 120 2HG1 ILE 17 1HG1 ILE 17 -5.004 -1.073 -1.073 121 1HG2 ILE 17 3HG2 ILE 17 -7.935 -2.953 -2.953 122 2HG2 ILE 17 2HG2 ILE 17 -6.849 -3.802 -3.802 123 3HG2 ILE 17 1HG2 ILE 17 -8.329 -3.066 -3.066 124 1HD1 ILE 17 2HD1 ILE 17 -7.396 -1.589 -1.589 125 2HD1 ILE 17 1HD1 ILE 17 -6.213 -2.777 -2.777 126 3HD1 ILE 17 3HD1 ILE 17 -5.847 -1.055 -1.055 127 H VAL 18 HN VAL 18 -3.645 -1.225 -1.225 128 HA VAL 18 HA VAL 18 -3.097 -3.804 -3.804 129 HB VAL 18 HB VAL 18 -2.409 -2.144 -2.144 130 1HG1 VAL 18 1HG1 VAL 18 -1.954 -0.465 -0.465 131 2HG1 VAL 18 3HG1 VAL 18 -0.301 -1.020 -1.020 132 3HG1 VAL 18 2HG1 VAL 18 -1.203 -0.270 -0.270 133 1HG2 VAL 18 3HG2 VAL 18 -1.025 -4.217 -4.217 134 2HG2 VAL 18 2HG2 VAL 18 -0.205 -2.902 -2.902 135 3HG2 VAL 18 1HG2 VAL 18 0.089 -3.171 -3.171 136 H PHE 19 HN PHE 19 -2.723 -4.924 -4.924 137 HA PHE 19 HA PHE 19 -1.525 -4.056 -4.056 138 1HB PHE 19 2HB PHE 19 -1.503 -6.793 -6.793 139 2HB PHE 19 1HB PHE 19 -0.912 -6.488 -6.488 140 HD1 PHE 19 2HD PHE 19 -3.414 -4.262 -4.262 141 HD2 PHE 19 1HD PHE 19 -2.915 -8.479 -8.479 142 HE1 PHE 19 2HE PHE 19 -5.687 -4.593 -4.593 143 HE2 PHE 19 1HE PHE 19 -5.189 -8.814 -8.814 144 HZ PHE 19 HZ PHE 19 -6.578 -6.871 -6.871 145 H ASN 20 HN ASN 20 0.354 -3.003 -3.003 146 HA ASN 20 HA ASN 20 2.506 -3.474 -3.474 147 1HB ASN 20 2HB ASN 20 1.771 -1.331 -1.331 148 2HB ASN 20 1HB ASN 20 3.042 -1.979 -1.979 149 1HD2 ASN 20 2HD2 ASN 20 5.631 -0.836 -0.836 150 2HD2 ASN 20 1HD2 ASN 20 5.094 -1.583 -1.583 151 H ALA 21 HN ALA 21 4.359 -4.595 -4.595 152 HA ALA 21 HA ALA 21 4.476 -6.728 -6.728 153 1HB ALA 21 3HB ALA 21 6.098 -5.660 -5.660 154 2HB ALA 21 2HB ALA 21 7.105 -6.219 -6.219 155 3HB ALA 21 1HB ALA 21 5.956 -7.320 -7.320 156 HA PRO 22 HA PRO 22 6.594 -7.807 -7.807 157 1HB PRO 22 2HB PRO 22 7.664 -8.948 -8.948 158 2HB PRO 22 1HB PRO 22 8.581 -7.769 -7.769 159 1HG PRO 22 2HG PRO 22 7.166 -7.417 -7.417 160 2HG PRO 22 1HG PRO 22 8.720 -6.751 -6.751 161 1HD PRO 22 2HD PRO 22 6.280 -5.400 -5.400 162 2HD PRO 22 1HD PRO 22 7.726 -4.937 -4.937 163 H TYR 23 HN TYR 23 5.726 -9.914 -9.914 164 HA TYR 23 HA TYR 23 3.223 -9.778 -9.778 165 1HB TYR 23 2HB TYR 23 4.203 -11.713 -11.713 166 2HB TYR 23 1HB TYR 23 2.682 -11.901 -11.901 167 HD1 TYR 23 2HD TYR 23 1.853 -9.012 -9.012 168 HD2 TYR 23 1HD TYR 23 3.434 -11.381 -11.381 169 HE1 TYR 23 2HE TYR 23 0.741 -7.557 -7.557 170 HE2 TYR 23 1HE TYR 23 2.325 -9.931 -9.931 171 HH TYR 23 HH TYR 23 -0.047 -8.162 -8.162 172 H ASP 24 HN ASP 24 5.829 -10.083 -10.083 173 HA ASP 24 HA ASP 24 5.589 -12.798 -12.798 174 1HB ASP 24 2HB ASP 24 7.895 -10.847 -10.847 175 2HB ASP 24 1HB ASP 24 7.894 -12.359 -12.359 176 H ASP 25 HN ASP 25 4.347 -9.909 -9.909 177 HA ASP 25 HA ASP 25 4.240 -10.467 -10.467 178 1HB ASP 25 2HB ASP 25 6.077 -8.633 -8.633 179 2HB ASP 25 1HB ASP 25 4.671 -7.607 -7.607 180 H LYS 26 HN LYS 26 2.410 -9.623 -9.623 181 HA LYS 26 HA LYS 26 0.097 -9.412 -9.412 182 1HB LYS 26 2HB LYS 26 0.613 -8.441 -8.441 183 2HB LYS 26 1HB LYS 26 -0.980 -8.579 -8.579 184 1HG LYS 26 2HG LYS 26 -0.694 -10.978 -10.978 185 2HG LYS 26 1HG LYS 26 0.934 -10.861 -10.861 186 1HD LYS 26 2HD LYS 26 0.183 -10.690 -10.690 187 2HD LYS 26 1HD LYS 26 -1.164 -9.647 -9.647 188 1HE LYS 26 2HE LYS 26 -2.526 -11.464 -11.464 189 2HE LYS 26 1HE LYS 26 -1.159 -12.573 -12.573 190 1HZ LYS 26 3HZ LYS 26 -0.912 -12.073 -12.073 191 2HZ LYS 26 2HZ LYS 26 -2.500 -11.498 -11.498 192 3HZ LYS 26 1HZ LYS 26 -2.160 -13.107 -13.107 193 H HIS 27 HN HIS 27 -0.550 -7.855 -7.855 194 HA HIS 27 HA HIS 27 0.272 -5.085 -5.085 195 1HB HIS 27 2HB HIS 27 0.374 -6.668 -6.668 196 2HB HIS 27 1HB HIS 27 -0.567 -5.200 -5.200 197 HD1 HIS 27 1HD HIS 27 0.938 -3.054 -3.054 198 HD2 HIS 27 2HD HIS 27 2.868 -6.180 -6.180 199 HE1 HIS 27 1HE HIS 27 3.270 -2.232 -2.232 200 H THR 28 HN THR 28 -1.349 -3.963 -3.963 201 HA THR 28 HA THR 28 -4.098 -4.579 -4.579 202 HB THR 28 HB THR 28 -3.096 -2.982 -2.982 203 HG1 THR 28 1HG THR 28 -3.005 -4.821 -4.821 204 1HG2 THR 28 3HG2 THR 28 -5.399 -2.392 -2.392 205 2HG2 THR 28 2HG2 THR 28 -5.878 -4.026 -4.026 206 3HG2 THR 28 1HG2 THR 28 -5.288 -2.904 -2.904 207 H TYR 29 HN TYR 29 -4.891 -3.349 -3.349 208 HA TYR 29 HA TYR 29 -3.863 -0.638 -0.638 209 1HB TYR 29 2HB TYR 29 -5.809 -2.051 -2.051 210 2HB TYR 29 1HB TYR 29 -4.709 -0.733 -0.733 211 HD1 TYR 29 1HD TYR 29 -4.903 -4.344 -4.344 212 HD2 TYR 29 2HD TYR 29 -2.468 -1.160 -1.160 213 HE1 TYR 29 1HE TYR 29 -3.234 -5.975 -5.975 214 HE2 TYR 29 2HE TYR 29 -0.793 -2.782 -2.782 215 HH TYR 29 HH TYR 29 -0.447 -4.996 -4.996 216 H HIS 30 HN HIS 30 -4.940 1.057 1.057 217 HA HIS 30 HA HIS 30 -7.584 0.749 0.749 218 1HB HIS 30 2HB HIS 30 -6.053 3.332 3.332 219 2HB HIS 30 1HB HIS 30 -7.307 2.933 2.933 220 HD1 HIS 30 1HD HIS 30 -3.742 3.208 3.208 221 HD2 HIS 30 2HD HIS 30 -6.376 0.706 0.706 222 HE1 HIS 30 1HE HIS 30 -2.420 2.149 2.149 223 H ILE 31 HN ILE 31 -9.471 1.355 1.355 224 HA ILE 31 HA ILE 31 -9.392 2.742 2.742 225 HB ILE 31 HB ILE 31 -11.578 0.902 0.902 226 1HG1 ILE 31 2HG1 ILE 31 -9.533 -0.390 -0.390 227 2HG1 ILE 31 1HG1 ILE 31 -10.638 -0.757 -0.757 228 1HG2 ILE 31 3HG2 ILE 31 -12.234 2.579 2.579 229 2HG2 ILE 31 2HG2 ILE 31 -10.968 1.986 1.986 230 3HG2 ILE 31 1HG2 ILE 31 -12.318 0.937 0.937 231 1HD1 ILE 31 1HD1 ILE 31 -9.178 1.251 1.251 232 2HD1 ILE 31 3HD1 ILE 31 -7.984 0.473 0.473 233 3HD1 ILE 31 2HD1 ILE 31 -8.828 -0.467 -0.467 234 H LYS 32 HN LYS 32 -11.064 4.258 4.258 235 HA LYS 32 HA LYS 32 -12.291 5.390 5.390 236 1HB LYS 32 2HB LYS 32 -10.555 6.794 6.794 237 2HB LYS 32 1HB LYS 32 -11.597 6.857 6.857 238 1HG LYS 32 2HG LYS 32 -12.400 8.729 8.729 239 2HG LYS 32 1HG LYS 32 -13.284 7.662 7.662 240 1HD LYS 32 2HD LYS 32 -10.501 8.639 8.639 241 2HD LYS 32 1HD LYS 32 -11.945 9.533 9.533 242 1HE LYS 32 2HE LYS 32 -12.694 7.326 7.326 243 2HE LYS 32 1HE LYS 32 -11.012 6.828 6.828 244 1HZ LYS 32 1HZ LYS 32 -11.408 9.437 9.437 245 2HZ LYS 32 3HZ LYS 32 -11.969 8.135 8.135 246 3HZ LYS 32 2HZ LYS 32 -10.350 8.192 8.192 247 H ILE 33 HN ILE 33 -14.431 5.480 5.480 248 HA ILE 33 HA ILE 33 -15.997 5.337 5.337 249 HB ILE 33 HB ILE 33 -16.710 3.849 3.849 250 1HG1 ILE 33 2HG1 ILE 33 -15.798 2.597 2.597 251 2HG1 ILE 33 1HG1 ILE 33 -14.658 3.017 3.017 252 1HG2 ILE 33 2HG2 ILE 33 -18.029 4.298 4.298 253 2HG2 ILE 33 1HG2 ILE 33 -18.172 2.690 2.690 254 3HG2 ILE 33 3HG2 ILE 33 -18.729 4.104 4.104 255 1HD1 ILE 33 1HD1 ILE 33 -16.657 1.595 1.595 256 2HD1 ILE 33 3HD1 ILE 33 -16.411 0.743 0.743 257 3HD1 ILE 33 2HD1 ILE 33 -15.049 1.015 1.015 258 H THR 34 HN THR 34 -17.578 6.818 6.818 259 HA THR 34 HA THR 34 -18.660 7.986 7.986 260 HB THR 34 HB THR 34 -17.392 9.563 9.563 261 HG1 THR 34 1HG THR 34 -15.807 9.510 9.510 262 1HG2 THR 34 2HG2 THR 34 -19.484 10.654 10.654 263 2HG2 THR 34 1HG2 THR 34 -18.938 10.652 10.652 264 3HG2 THR 34 3HG2 THR 34 -18.061 11.587 11.587 265 H ASN 35 HN ASN 35 -20.645 9.144 9.144 266 HA ASN 35 HA ASN 35 -22.171 8.101 8.101 267 1HB ASN 35 2HB ASN 35 -22.867 7.775 7.775 268 2HB ASN 35 1HB ASN 35 -23.372 9.460 9.460 269 1HD2 ASN 35 2HD2 ASN 35 -26.330 7.481 7.481 270 2HD2 ASN 35 1HD2 ASN 35 -25.284 7.769 7.769 271 H ALA 36 HN ALA 36 -22.380 9.427 9.427 272 HA ALA 36 HA ALA 36 -22.221 12.312 12.312 273 1HB ALA 36 2HB ALA 36 -21.066 10.838 10.838 274 2HB ALA 36 1HB ALA 36 -22.600 11.100 11.100 275 3HB ALA 36 3HB ALA 36 -21.615 12.478 12.478 276 H GLY 37 HN GLY 37 -24.619 10.545 10.545 277 1HA GLY 37 2HA GLY 37 -26.615 11.862 11.862 278 2HA GLY 37 1HA GLY 37 -26.889 10.386 10.386 279 H GLY 38 HN GLY 38 -28.598 10.999 10.999 280 1HA GLY 38 2HA GLY 38 -28.017 12.902 12.902 281 2HA GLY 38 1HA GLY 38 -29.380 13.293 13.293 282 H ARG 39 HN ARG 39 -28.536 10.002 10.002 283 HA ARG 39 HA ARG 39 -30.463 9.837 9.837 284 1HB ARG 39 2HB ARG 39 -31.108 9.005 9.005 285 2HB ARG 39 1HB ARG 39 -31.466 7.810 7.810 286 1HG ARG 39 2HG ARG 39 -32.840 9.433 9.433 287 2HG ARG 39 1HG ARG 39 -32.466 10.650 10.650 288 1HD ARG 39 2HD ARG 39 -34.108 9.904 9.904 289 2HD ARG 39 1HD ARG 39 -33.414 8.283 8.283 290 HE ARG 39 HE ARG 39 -34.753 8.612 8.612 291 1HH1 ARG 39 1HH2 ARG 39 -35.505 8.531 8.531 292 2HH1 ARG 39 2HH2 ARG 39 -37.102 7.905 7.905 293 1HH2 ARG 39 1HH1 ARG 39 -36.856 7.788 7.788 294 2HH2 ARG 39 2HH1 ARG 39 -37.871 7.483 7.483 295 H ARG 40 HN ARG 40 -30.304 7.921 7.921 296 HA ARG 40 HA ARG 40 -27.800 6.740 6.740 297 1HB ARG 40 2HB ARG 40 -30.039 6.697 6.697 298 2HB ARG 40 1HB ARG 40 -30.064 5.063 5.063 299 1HG ARG 40 2HG ARG 40 -28.110 4.467 4.467 300 2HG ARG 40 1HG ARG 40 -27.548 6.134 6.134 301 1HD ARG 40 2HD ARG 40 -28.360 4.956 4.956 302 2HD ARG 40 1HD ARG 40 -28.943 6.588 6.588 303 HE ARG 40 HE ARG 40 -30.707 4.619 4.619 304 1HH1 ARG 40 1HH2 ARG 40 -29.741 6.209 6.209 305 2HH1 ARG 40 2HH2 ARG 40 -31.269 5.974 5.974 306 1HH2 ARG 40 1HH1 ARG 40 -32.724 4.302 4.302 307 2HH2 ARG 40 2HH1 ARG 40 -32.963 4.888 4.888 308 H ILE 41 HN ILE 41 -27.176 4.484 4.484 309 HA ILE 41 HA ILE 41 -28.676 2.984 2.984 310 HB ILE 41 HB ILE 41 -26.649 2.795 2.795 311 1HG1 ILE 41 2HG1 ILE 41 -25.821 5.419 5.419 312 2HG1 ILE 41 1HG1 ILE 41 -25.152 3.887 3.887 313 1HG2 ILE 41 3HG2 ILE 41 -28.776 4.300 4.300 314 2HG2 ILE 41 2HG2 ILE 41 -27.613 5.610 5.610 315 3HG2 ILE 41 1HG2 ILE 41 -27.420 4.453 4.453 316 1HD1 ILE 41 2HD1 ILE 41 -25.076 4.577 4.577 317 2HD1 ILE 41 1HD1 ILE 41 -23.896 5.272 5.272 318 3HD1 ILE 41 3HD1 ILE 41 -24.016 3.522 3.522 319 H GLY 42 HN GLY 42 -27.554 0.919 0.919 320 1HA GLY 42 2HA GLY 42 -25.874 -0.020 -0.020 321 2HA GLY 42 1HA GLY 42 -27.187 -0.989 -0.989 322 H TRP 43 HN TRP 43 -23.893 -0.315 -0.315 323 HA TRP 43 HA TRP 43 -23.649 -1.452 -1.452 324 1HB TRP 43 2HB TRP 43 -21.336 -0.624 -0.624 325 2HB TRP 43 1HB TRP 43 -22.494 0.670 0.670 326 HD1 TRP 43 1HD TRP 43 -22.735 1.465 1.465 327 HE1 TRP 43 1HE TRP 43 -20.932 1.569 1.569 328 HE3 TRP 43 3HE TRP 43 -19.274 -1.669 -1.669 329 HZ2 TRP 43 2HZ TRP 43 -18.382 0.469 0.469 330 HZ3 TRP 43 3HZ TRP 43 -17.178 -2.089 -2.089 331 HH2 TRP 43 2HH TRP 43 -16.744 -1.042 -1.042 332 H ALA 44 HN ALA 44 -21.900 -2.959 -2.959 333 HA ALA 44 HA ALA 44 -20.857 -4.496 -4.496 334 1HB ALA 44 2HB ALA 44 -23.089 -5.466 -5.466 335 2HB ALA 44 1HB ALA 44 -22.798 -5.777 -5.777 336 3HB ALA 44 3HB ALA 44 -21.850 -6.621 -6.621 337 H ILE 45 HN ILE 45 -19.184 -5.939 -5.939 338 HA ILE 45 HA ILE 45 -18.311 -5.560 -5.560 339 HB ILE 45 HB ILE 45 -16.446 -5.894 -5.894 340 1HG1 ILE 45 2HG1 ILE 45 -17.748 -3.807 -3.807 341 2HG1 ILE 45 1HG1 ILE 45 -16.048 -3.490 -3.490 342 1HG2 ILE 45 3HG2 ILE 45 -16.136 -5.849 -5.849 343 2HG2 ILE 45 2HG2 ILE 45 -15.224 -4.536 -4.536 344 3HG2 ILE 45 1HG2 ILE 45 -14.945 -6.202 -6.202 345 1HD1 ILE 45 3HD1 ILE 45 -17.709 -3.635 -3.635 346 2HD1 ILE 45 2HD1 ILE 45 -18.156 -2.341 -2.341 347 3HD1 ILE 45 1HD1 ILE 45 -16.510 -2.436 -2.436 348 H LYS 46 HN LYS 46 -17.528 -7.291 -7.291 349 HA LYS 46 HA LYS 46 -17.148 -9.826 -9.826 350 1HB LYS 46 2HB LYS 46 -18.539 -11.039 -11.039 351 2HB LYS 46 1HB LYS 46 -19.487 -9.857 -9.857 352 1HG LYS 46 2HG LYS 46 -19.495 -8.361 -8.361 353 2HG LYS 46 1HG LYS 46 -18.383 -9.405 -9.405 354 1HD LYS 46 2HD LYS 46 -21.113 -10.282 -10.282 355 2HD LYS 46 1HD LYS 46 -20.797 -9.596 -9.596 356 1HE LYS 46 2HE LYS 46 -19.071 -11.414 -11.414 357 2HE LYS 46 1HE LYS 46 -19.717 -12.152 -12.152 358 1HZ LYS 46 1HZ LYS 46 -21.954 -11.816 -11.816 359 2HZ LYS 46 3HZ LYS 46 -20.883 -11.980 -11.980 360 3HZ LYS 46 2HZ LYS 46 -21.004 -13.208 -13.208 361 H THR 47 HN THR 47 -15.448 -10.933 -10.933 362 HA THR 47 HA THR 47 -14.277 -10.044 -10.044 363 HB THR 47 HB THR 47 -12.097 -10.766 -10.766 364 HG1 THR 47 1HG THR 47 -12.033 -11.883 -11.883 365 1HG2 THR 47 3HG2 THR 47 -13.142 -8.417 -8.417 366 2HG2 THR 47 2HG2 THR 47 -13.222 -8.974 -8.974 367 3HG2 THR 47 1HG2 THR 47 -11.669 -8.904 -8.904 368 H THR 48 HN THR 48 -13.216 -11.628 -11.628 369 HA THR 48 HA THR 48 -14.687 -13.961 -13.961 370 HB THR 48 HB THR 48 -12.461 -14.614 -14.614 371 HG1 THR 48 1HG THR 48 -10.981 -13.180 -13.180 372 1HG2 THR 48 1HG2 THR 48 -14.499 -12.566 -12.566 373 2HG2 THR 48 3HG2 THR 48 -13.104 -12.775 -12.775 374 3HG2 THR 48 2HG2 THR 48 -14.178 -14.137 -14.137 375 H ASN 49 HN ASN 49 -11.730 -13.401 -13.401 376 HA ASN 49 HA ASN 49 -11.914 -16.158 -16.158 377 1HB ASN 49 2HB ASN 49 -9.537 -14.601 -14.601 378 2HB ASN 49 1HB ASN 49 -9.332 -15.758 -15.758 379 1HD2 ASN 49 2HD2 ASN 49 -8.631 -18.034 -18.034 380 2HD2 ASN 49 1HD2 ASN 49 -7.995 -17.035 -17.035 381 H MET 50 HN MET 50 -12.605 -16.069 -16.069 382 HA MET 50 HA MET 50 -11.843 -13.785 -13.785 383 1HB MET 50 2HB MET 50 -14.139 -15.659 -15.659 384 2HB MET 50 1HB MET 50 -13.609 -15.120 -15.120 385 1HG MET 50 2HG MET 50 -13.702 -12.819 -12.819 386 2HG MET 50 1HG MET 50 -15.153 -13.735 -13.735 387 1HE MET 50 3HE MET 50 -13.128 -11.834 -11.834 388 2HE MET 50 2HE MET 50 -14.360 -10.806 -10.806 389 3HE MET 50 1HE MET 50 -14.438 -11.187 -11.187 390 H ARG 51 HN ARG 51 -10.130 -16.163 -16.163 391 HA ARG 51 HA ARG 51 -9.792 -17.356 -17.356 392 1HB ARG 51 2HB ARG 51 -8.135 -18.159 -18.159 393 2HB ARG 51 1HB ARG 51 -8.703 -19.132 -19.132 394 1HG ARG 51 2HG ARG 51 -11.014 -18.935 -18.935 395 2HG ARG 51 1HG ARG 51 -10.279 -18.198 -18.198 396 1HD ARG 51 2HD ARG 51 -9.853 -20.219 -20.219 397 2HD ARG 51 1HD ARG 51 -8.824 -20.552 -20.552 398 HE ARG 51 HE ARG 51 -10.457 -21.924 -21.924 399 1HH1 ARG 51 1HH2 ARG 51 -11.884 -19.727 -19.727 400 2HH1 ARG 51 2HH2 ARG 51 -13.442 -20.484 -20.484 401 1HH2 ARG 51 1HH1 ARG 51 -12.503 -22.928 -22.928 402 2HH2 ARG 51 2HH1 ARG 51 -13.794 -22.304 -22.304 403 H ARG 52 HN ARG 52 -8.115 -15.426 -15.426 404 HA ARG 52 HA ARG 52 -5.891 -15.045 -15.045 405 1HB ARG 52 2HB ARG 52 -6.054 -15.262 -15.262 406 2HB ARG 52 1HB ARG 52 -5.079 -13.905 -13.905 407 1HG ARG 52 2HG ARG 52 -3.687 -15.844 -15.844 408 2HG ARG 52 1HG ARG 52 -3.743 -15.441 -15.441 409 1HD ARG 52 2HD ARG 52 -5.866 -17.259 -17.259 410 2HD ARG 52 1HD ARG 52 -4.316 -17.909 -17.909 411 HE ARG 52 HE ARG 52 -4.053 -16.946 -16.946 412 1HH1 ARG 52 1HH2 ARG 52 -5.603 -19.514 -19.514 413 2HH1 ARG 52 2HH2 ARG 52 -5.582 -20.620 -20.620 414 1HH2 ARG 52 1HH1 ARG 52 -4.020 -18.395 -18.395 415 2HH2 ARG 52 2HH1 ARG 52 -4.682 -19.984 -19.984 416 H LEU 53 HN LEU 53 -8.344 -13.407 -13.407 417 HA LEU 53 HA LEU 53 -7.404 -10.796 -10.796 418 1HB LEU 53 2HB LEU 53 -9.796 -11.241 -11.241 419 2HB LEU 53 1HB LEU 53 -8.773 -9.822 -9.822 420 HG LEU 53 HG LEU 53 -7.968 -12.456 -12.456 421 1HD1 LEU 53 1HD1 LEU 53 -8.834 -9.832 -9.832 422 2HD1 LEU 53 3HD1 LEU 53 -7.927 -11.042 -11.042 423 3HD1 LEU 53 2HD1 LEU 53 -9.523 -11.433 -11.433 424 1HD2 LEU 53 2HD2 LEU 53 -6.130 -11.167 -11.167 425 2HD2 LEU 53 1HD2 LEU 53 -5.944 -11.364 -11.364 426 3HD2 LEU 53 3HD2 LEU 53 -6.499 -9.825 -9.825 427 H SER 54 HN SER 54 -8.576 -9.477 -9.477 428 HA SER 54 HA SER 54 -11.154 -10.444 -10.444 429 1HB SER 54 2HB SER 54 -9.396 -9.400 -9.400 430 2HB SER 54 1HB SER 54 -10.498 -10.777 -10.777 431 HG SER 54 HG SER 54 -8.905 -11.956 -11.956 432 H VAL 55 HN VAL 55 -12.599 -8.856 -8.856 433 HA VAL 55 HA VAL 55 -11.615 -6.083 -6.083 434 HB VAL 55 HB VAL 55 -14.141 -5.729 -5.729 435 1HG1 VAL 55 1HG1 VAL 55 -11.648 -6.172 -6.172 436 2HG1 VAL 55 3HG1 VAL 55 -13.096 -6.386 -6.386 437 3HG1 VAL 55 2HG1 VAL 55 -12.823 -4.864 -4.864 438 1HG2 VAL 55 2HG2 VAL 55 -14.557 -8.223 -8.223 439 2HG2 VAL 55 1HG2 VAL 55 -15.081 -7.462 -7.462 440 3HG2 VAL 55 3HG2 VAL 55 -13.589 -8.404 -8.404 441 H ASP 56 HN ASP 56 -12.049 -4.812 -4.812 442 HA ASP 56 HA ASP 56 -14.356 -5.375 -5.375 443 1HB ASP 56 2HB ASP 56 -12.202 -6.544 -6.544 444 2HB ASP 56 1HB ASP 56 -11.702 -4.922 -4.922 445 HA PRO 57 HA PRO 57 -15.651 -4.427 -4.427 446 1HB PRO 57 2HB PRO 57 -17.780 -2.807 -2.807 447 2HB PRO 57 1HB PRO 57 -16.685 -2.610 -2.610 448 1HG PRO 57 2HG PRO 57 -16.749 -1.125 -1.125 449 2HG PRO 57 1HG PRO 57 -16.535 -0.494 -0.494 450 1HD PRO 57 2HD PRO 57 -14.458 -0.888 -0.888 451 2HD PRO 57 1HD PRO 57 -14.304 -1.063 -1.063 452 HA PRO 58 HA PRO 58 -16.677 -6.284 -6.284 453 1HB PRO 58 2HB PRO 58 -18.848 -7.540 -7.540 454 2HB PRO 58 1HB PRO 58 -17.632 -8.296 -8.296 455 1HG PRO 58 2HG PRO 58 -17.427 -8.424 -8.424 456 2HG PRO 58 1HG PRO 58 -15.990 -8.205 -8.205 457 1HD PRO 58 2HD PRO 58 -17.470 -6.202 -6.202 458 2HD PRO 58 1HD PRO 58 -15.725 -6.363 -6.363 459 H CYS 59 HN CYS 59 -19.352 -5.263 -5.263 460 HA CYS 59 HA CYS 59 -20.535 -3.803 -3.803 461 1HB CYS 59 2HB CYS 59 -22.739 -4.771 -4.771 462 2HB CYS 59 1HB CYS 59 -21.584 -6.047 -6.047 463 HG CYS 59 HG CYS 59 -22.916 -5.594 -5.594 464 H GLY 60 HN GLY 60 -21.949 -2.122 -2.122 465 1HA GLY 60 2HA GLY 60 -22.501 -1.683 -1.683 466 2HA GLY 60 1HA GLY 60 -21.283 -0.601 -0.601 467 H VAL 61 HN VAL 61 -23.061 0.908 0.908 468 HA VAL 61 HA VAL 61 -24.934 1.401 1.401 469 HB VAL 61 HB VAL 61 -25.464 2.225 2.225 470 1HG1 VAL 61 1HG1 VAL 61 -26.616 3.194 3.194 471 2HG1 VAL 61 3HG1 VAL 61 -27.550 1.701 1.701 472 3HG1 VAL 61 2HG1 VAL 61 -27.559 2.830 2.830 473 1HG2 VAL 61 1HG2 VAL 61 -25.723 -0.418 -0.418 474 2HG2 VAL 61 3HG2 VAL 61 -25.696 0.041 0.041 475 3HG2 VAL 61 2HG2 VAL 61 -27.194 0.167 0.167 476 H LEU 62 HN LEU 62 -24.311 3.139 3.139 477 HA LEU 62 HA LEU 62 -22.685 5.181 5.181 478 1HB LEU 62 2HB LEU 62 -23.195 4.266 4.266 479 2HB LEU 62 1HB LEU 62 -23.224 6.014 6.014 480 HG LEU 62 HG LEU 62 -20.935 4.537 4.537 481 1HD1 LEU 62 3HD1 LEU 62 -21.615 4.010 4.010 482 2HD1 LEU 62 2HD1 LEU 62 -20.494 5.362 5.362 483 3HD1 LEU 62 1HD1 LEU 62 -19.990 3.898 3.898 484 1HD2 LEU 62 1HD2 LEU 62 -21.625 7.260 7.260 485 2HD2 LEU 62 3HD2 LEU 62 -20.442 6.681 6.681 486 3HD2 LEU 62 2HD2 LEU 62 -20.023 6.756 6.756 487 H ASP 63 HN ASP 63 -23.182 7.482 7.482 488 HA ASP 63 HA ASP 63 -26.084 7.991 7.991 489 1HB ASP 63 2HB ASP 63 -24.135 8.498 8.498 490 2HB ASP 63 1HB ASP 63 -24.694 10.050 10.050 491 HA PRO 64 HA PRO 64 -25.761 11.275 11.275 492 1HB PRO 64 2HB PRO 64 -26.326 13.401 13.401 493 2HB PRO 64 1HB PRO 64 -27.227 12.947 12.947 494 1HG PRO 64 2HG PRO 64 -28.158 12.376 12.376 495 2HG PRO 64 1HG PRO 64 -28.374 11.252 11.252 496 1HD PRO 64 2HD PRO 64 -26.411 11.145 11.145 497 2HD PRO 64 1HD PRO 64 -27.335 9.828 9.828 498 H LYS 65 HN LYS 65 -23.697 11.561 11.561 499 HA LYS 65 HA LYS 65 -21.652 12.529 12.529 500 1HB LYS 65 2HB LYS 65 -23.277 14.570 14.570 501 2HB LYS 65 1HB LYS 65 -22.038 14.618 14.618 502 1HG LYS 65 2HG LYS 65 -20.511 14.415 14.415 503 2HG LYS 65 1HG LYS 65 -21.891 15.329 15.329 504 1HD LYS 65 2HD LYS 65 -21.561 16.768 16.768 505 2HD LYS 65 1HD LYS 65 -19.947 16.052 16.052 506 1HE LYS 65 2HE LYS 65 -19.387 16.987 16.987 507 2HE LYS 65 1HE LYS 65 -21.067 17.375 17.375 508 1HZ LYS 65 3HZ LYS 65 -20.295 18.653 18.653 509 2HZ LYS 65 2HZ LYS 65 -19.174 19.019 19.019 510 3HZ LYS 65 1HZ LYS 65 -20.816 19.347 19.347 511 H GLU 66 HN GLU 66 -22.034 10.462 10.462 512 HA GLU 66 HA GLU 66 -20.231 11.212 11.212 513 1HB GLU 66 2HB GLU 66 -22.341 9.246 9.246 514 2HB GLU 66 1HB GLU 66 -20.880 8.521 8.521 515 1HG GLU 66 2HG GLU 66 -21.142 10.813 10.813 516 2HG GLU 66 1HG GLU 66 -22.812 10.301 10.301 517 H LYS 67 HN LYS 67 -18.331 10.037 10.037 518 HA LYS 67 HA LYS 67 -17.135 8.775 8.775 519 1HB LYS 67 2HB LYS 67 -15.973 10.322 10.322 520 2HB LYS 67 1HB LYS 67 -14.964 9.250 9.250 521 1HG LYS 67 2HG LYS 67 -16.327 10.767 10.767 522 2HG LYS 67 1HG LYS 67 -15.925 11.908 11.908 523 1HD LYS 67 2HD LYS 67 -13.568 10.837 10.837 524 2HD LYS 67 1HD LYS 67 -14.098 10.251 10.251 525 1HE LYS 67 2HE LYS 67 -14.026 13.129 13.129 526 2HE LYS 67 1HE LYS 67 -12.892 12.359 12.359 527 1HZ LYS 67 2HZ LYS 67 -15.652 12.082 12.082 528 2HZ LYS 67 1HZ LYS 67 -15.121 13.686 13.686 529 3HZ LYS 67 3HZ LYS 67 -14.313 12.550 12.550 530 H VAL 68 HN VAL 68 -15.710 6.961 6.961 531 HA VAL 68 HA VAL 68 -15.934 5.512 5.512 532 HB VAL 68 HB VAL 68 -16.857 4.285 4.285 533 1HG1 VAL 68 2HG1 VAL 68 -16.349 3.173 3.173 534 2HG1 VAL 68 1HG1 VAL 68 -17.576 2.450 2.450 535 3HG1 VAL 68 3HG1 VAL 68 -15.898 2.523 2.523 536 1HG2 VAL 68 3HG2 VAL 68 -18.380 5.149 5.149 537 2HG2 VAL 68 2HG2 VAL 68 -18.558 5.757 5.757 538 3HG2 VAL 68 1HG2 VAL 68 -19.046 4.108 4.108 539 H LEU 69 HN LEU 69 -14.338 3.954 3.954 540 HA LEU 69 HA LEU 69 -12.184 3.986 3.986 541 1HB LEU 69 2HB LEU 69 -12.191 4.401 4.401 542 2HB LEU 69 1HB LEU 69 -11.132 3.071 3.071 543 HG LEU 69 HG LEU 69 -10.968 5.902 5.902 544 1HD1 LEU 69 2HD1 LEU 69 -10.154 5.220 5.220 545 2HD1 LEU 69 1HD1 LEU 69 -8.832 4.446 4.446 546 3HD1 LEU 69 3HD1 LEU 69 -9.103 6.181 6.181 547 1HD2 LEU 69 1HD2 LEU 69 -9.901 3.390 3.390 548 2HD2 LEU 69 3HD2 LEU 69 -10.051 4.966 4.966 549 3HD2 LEU 69 2HD2 LEU 69 -8.673 4.627 4.627 550 H MET 70 HN MET 70 -11.409 2.098 2.098 551 HA MET 70 HA MET 70 -12.470 -0.390 -0.390 552 1HB MET 70 2HB MET 70 -13.047 0.647 0.647 553 2HB MET 70 1HB MET 70 -11.869 -0.625 -0.625 554 1HG MET 70 2HG MET 70 -13.540 -1.865 -1.865 555 2HG MET 70 1HG MET 70 -14.659 -0.798 -0.798 556 1HE MET 70 1HE MET 70 -13.614 -0.314 -0.314 557 2HE MET 70 3HE MET 70 -12.369 -1.413 -1.413 558 3HE MET 70 2HE MET 70 -14.035 -1.586 -1.586 559 H ALA 71 HN ALA 71 -11.185 -2.295 -2.295 560 HA ALA 71 HA ALA 71 -8.354 -1.758 -1.758 561 1HB ALA 71 1HB ALA 71 -8.737 -1.798 -1.798 562 2HB ALA 71 3HB ALA 71 -9.311 -3.459 -3.459 563 3HB ALA 71 2HB ALA 71 -7.641 -3.061 -3.061 564 H VAL 72 HN VAL 72 -7.601 -3.080 -3.080 565 HA VAL 72 HA VAL 72 -9.013 -5.618 -5.618 566 HB VAL 72 HB VAL 72 -7.176 -4.288 -4.288 567 1HG1 VAL 72 3HG1 VAL 72 -8.282 -6.748 -6.748 568 2HG1 VAL 72 2HG1 VAL 72 -9.543 -5.825 -5.825 569 3HG1 VAL 72 1HG1 VAL 72 -7.898 -5.828 -5.828 570 1HG2 VAL 72 2HG2 VAL 72 -10.023 -3.642 -3.642 571 2HG2 VAL 72 1HG2 VAL 72 -8.685 -2.559 -2.559 572 3HG2 VAL 72 3HG2 VAL 72 -9.440 -3.509 -3.509 573 H SER 73 HN SER 73 -7.816 -6.776 -6.776 574 HA SER 73 HA SER 73 -5.010 -6.880 -6.880 575 1HB SER 73 2HB SER 73 -7.257 -8.394 -8.394 576 2HB SER 73 1HB SER 73 -5.793 -9.349 -9.349 577 HG SER 73 HG SER 73 -4.671 -7.862 -7.862 578 H CYS 74 HN CYS 74 -3.524 -7.950 -7.950 579 HA CYS 74 HA CYS 74 -4.461 -9.940 -9.940 580 1HB CYS 74 2HB CYS 74 -3.755 -7.699 -7.699 581 2HB CYS 74 1HB CYS 74 -2.122 -8.082 -8.082 582 HG CYS 74 HG CYS 74 -3.624 -9.518 -9.518 583 H ASP 75 HN ASP 75 -3.957 -11.647 -11.647 584 HA ASP 75 HA ASP 75 -1.658 -12.056 -12.056 585 1HB ASP 75 2HB ASP 75 -3.533 -13.945 -13.945 586 2HB ASP 75 1HB ASP 75 -2.106 -14.563 -14.563 587 H THR 76 HN THR 76 0.308 -13.126 -13.126 588 HA THR 76 HA THR 76 1.575 -12.502 -12.502 589 HB THR 76 HB THR 76 3.511 -13.392 -13.392 590 HG1 THR 76 1HG THR 76 3.575 -15.126 -15.126 591 1HG2 THR 76 1HG2 THR 76 2.143 -11.736 -11.736 592 2HG2 THR 76 3HG2 THR 76 2.212 -13.134 -13.134 593 3HG2 THR 76 2HG2 THR 76 3.703 -12.417 -12.417 594 H PHE 77 HN PHE 77 1.965 -13.652 -13.652 595 HA PHE 77 HA PHE 77 1.370 -16.507 -16.507 596 1HB PHE 77 2HB PHE 77 -0.151 -16.362 -16.362 597 2HB PHE 77 1HB PHE 77 -0.735 -15.268 -15.268 598 HD1 PHE 77 2HD PHE 77 -0.226 -12.802 -12.802 599 HD2 PHE 77 1HD PHE 77 0.303 -15.588 -15.588 600 HE1 PHE 77 2HE PHE 77 -0.251 -10.952 -10.952 601 HE2 PHE 77 1HE PHE 77 0.281 -13.744 -13.744 602 HZ PHE 77 HZ PHE 77 0.004 -11.423 -11.423 603 H ASN 78 HN ASN 78 1.495 -16.852 -16.852 604 HA ASN 78 HA ASN 78 4.168 -15.818 -15.818 605 1HB ASN 78 2HB ASN 78 3.203 -18.612 -18.612 606 2HB ASN 78 1HB ASN 78 4.178 -18.219 -18.219 607 1HD2 ASN 78 2HD2 ASN 78 6.182 -19.307 -19.307 608 2HD2 ASN 78 1HD2 ASN 78 4.694 -19.897 -19.897 609 H ALA 79 HN ALA 79 4.369 -14.974 -14.974 610 HA ALA 79 HA ALA 79 2.045 -15.109 -15.109 611 1HB ALA 79 2HB ALA 79 3.424 -12.958 -12.958 612 2HB ALA 79 1HB ALA 79 4.281 -13.309 -13.309 613 3HB ALA 79 3HB ALA 79 2.542 -13.020 -13.020 614 H ALA 80 HN ALA 80 4.280 -17.172 -17.172 615 HA ALA 80 HA ALA 80 5.183 -17.215 -17.215 616 1HB ALA 80 1HB ALA 80 6.656 -17.486 -17.486 617 2HB ALA 80 3HB ALA 80 6.536 -19.118 -19.118 618 3HB ALA 80 2HB ALA 80 7.204 -17.816 -17.816 619 H THR 81 HN THR 81 3.733 -19.121 -19.121 620 HA THR 81 HA THR 81 2.698 -20.963 -20.963 621 HB THR 81 HB THR 81 3.171 -22.891 -22.891 622 HG1 THR 81 1HG THR 81 4.005 -22.634 -22.634 623 1HG2 THR 81 2HG2 THR 81 4.804 -22.170 -22.170 624 2HG2 THR 81 1HG2 THR 81 5.722 -21.383 -21.383 625 3HG2 THR 81 3HG2 THR 81 5.475 -23.129 -23.129 626 H GLU 82 HN GLU 82 1.608 -18.731 -18.731 627 HA GLU 82 HA GLU 82 -0.832 -20.036 -20.036 628 1HB GLU 82 2HB GLU 82 0.940 -18.805 -18.805 629 2HB GLU 82 1HB GLU 82 -0.778 -19.093 -19.093 630 1HG GLU 82 2HG GLU 82 -0.246 -21.526 -21.526 631 2HG GLU 82 1HG GLU 82 1.433 -21.081 -21.081 632 H ASP 83 HN ASP 83 -2.497 -18.465 -18.465 633 HA ASP 83 HA ASP 83 -3.683 -16.551 -16.551 634 1HB ASP 83 2HB ASP 83 -1.407 -15.796 -15.796 635 2HB ASP 83 1HB ASP 83 -1.374 -14.743 -14.743 636 H LEU 84 HN LEU 84 -3.962 -14.679 -14.679 637 HA LEU 84 HA LEU 84 -3.850 -13.617 -13.617 638 1HB LEU 84 2HB LEU 84 -1.790 -15.619 -15.619 639 2HB LEU 84 1HB LEU 84 -2.149 -14.050 -14.050 640 HG LEU 84 HG LEU 84 -1.127 -14.219 -14.219 641 1HD1 LEU 84 3HD1 LEU 84 0.455 -14.571 -14.571 642 2HD1 LEU 84 2HD1 LEU 84 1.172 -13.873 -13.873 643 3HD1 LEU 84 1HD1 LEU 84 0.520 -15.512 -15.512 644 1HD2 LEU 84 2HD2 LEU 84 -1.996 -12.139 -12.139 645 2HD2 LEU 84 1HD2 LEU 84 -0.694 -12.007 -12.007 646 3HD2 LEU 84 3HD2 LEU 84 -0.316 -12.154 -12.154 647 H ASN 85 HN ASN 85 -5.860 -15.157 -15.157 648 HA ASN 85 HA ASN 85 -6.271 -16.711 -16.711 649 1HB ASN 85 2HB ASN 85 -7.959 -18.035 -18.035 650 2HB ASN 85 1HB ASN 85 -6.245 -18.376 -18.376 651 1HD2 ASN 85 2HD2 ASN 85 -6.082 -17.090 -17.090 652 2HD2 ASN 85 1HD2 ASN 85 -5.184 -17.474 -17.474 653 H ASN 86 HN ASN 86 -6.769 -13.898 -13.898 654 HA ASN 86 HA ASN 86 -8.330 -12.375 -12.375 655 1HB ASN 86 2HB ASN 86 -10.460 -14.497 -14.497 656 2HB ASN 86 1HB ASN 86 -10.396 -12.978 -12.978 657 1HD2 ASN 86 2HD2 ASN 86 -9.299 -16.201 -16.201 658 2HD2 ASN 86 1HD2 ASN 86 -10.421 -16.061 -16.061 659 H ASP 87 HN ASP 87 -8.315 -11.280 -11.280 660 HA ASP 87 HA ASP 87 -10.338 -12.018 -12.018 661 1HB ASP 87 2HB ASP 87 -7.530 -11.032 -11.032 662 2HB ASP 87 1HB ASP 87 -8.734 -10.613 -10.613 663 H ARG 88 HN ARG 88 -11.703 -10.446 -10.446 664 HA ARG 88 HA ARG 88 -11.225 -7.661 -7.661 665 1HB ARG 88 2HB ARG 88 -13.394 -7.475 -7.475 666 2HB ARG 88 1HB ARG 88 -11.905 -7.954 -7.954 667 1HG ARG 88 2HG ARG 88 -12.586 -10.151 -10.151 668 2HG ARG 88 1HG ARG 88 -13.782 -10.028 -10.028 669 1HD ARG 88 2HD ARG 88 -15.359 -9.499 -9.499 670 2HD ARG 88 1HD ARG 88 -14.407 -8.127 -8.127 671 HE ARG 88 HE ARG 88 -13.389 -10.471 -10.471 672 1HH1 ARG 88 1HH2 ARG 88 -16.219 -8.447 -8.447 673 2HH1 ARG 88 2HH2 ARG 88 -16.593 -8.842 -8.842 674 1HH2 ARG 88 1HH1 ARG 88 -13.870 -10.999 -10.999 675 2HH2 ARG 88 2HH1 ARG 88 -15.257 -10.294 -10.294 676 H ILE 89 HN ILE 89 -12.315 -6.471 -6.471 677 HA ILE 89 HA ILE 89 -14.092 -7.822 -7.822 678 HB ILE 89 HB ILE 89 -13.413 -4.891 -4.891 679 1HG1 ILE 89 2HG1 ILE 89 -11.768 -7.178 -7.178 680 2HG1 ILE 89 1HG1 ILE 89 -11.309 -6.131 -6.131 681 1HG2 ILE 89 2HG2 ILE 89 -14.567 -6.870 -6.870 682 2HG2 ILE 89 1HG2 ILE 89 -13.460 -5.686 -5.686 683 3HG2 ILE 89 3HG2 ILE 89 -14.897 -5.146 -5.146 684 1HD1 ILE 89 3HD1 ILE 89 -11.968 -4.642 -4.642 685 2HD1 ILE 89 2HD1 ILE 89 -10.646 -5.784 -5.784 686 3HD1 ILE 89 1HD1 ILE 89 -10.538 -4.564 -4.564 687 H THR 90 HN THR 90 -16.140 -6.678 -6.678 688 HA THR 90 HA THR 90 -17.436 -5.223 -5.223 689 HB THR 90 HB THR 90 -18.875 -7.496 -7.496 690 HG1 THR 90 1HG THR 90 -17.136 -7.587 -7.587 691 1HG2 THR 90 3HG2 THR 90 -20.042 -5.695 -5.695 692 2HG2 THR 90 2HG2 THR 90 -19.294 -6.514 -6.514 693 3HG2 THR 90 1HG2 THR 90 -20.400 -7.393 -7.393 694 H ILE 91 HN ILE 91 -18.246 -3.426 -3.426 695 HA ILE 91 HA ILE 91 -19.136 -3.426 -3.426 696 HB ILE 91 HB ILE 91 -18.469 -1.005 -1.005 697 1HG1 ILE 91 2HG1 ILE 91 -16.374 -1.057 -1.057 698 2HG1 ILE 91 1HG1 ILE 91 -16.730 -2.777 -2.777 699 1HG2 ILE 91 2HG2 ILE 91 -19.624 -1.389 -1.389 700 2HG2 ILE 91 1HG2 ILE 91 -18.063 -0.587 -0.587 701 3HG2 ILE 91 3HG2 ILE 91 -19.307 0.115 0.115 702 1HD1 ILE 91 1HD1 ILE 91 -16.696 -1.741 -1.741 703 2HD1 ILE 91 3HD1 ILE 91 -15.152 -1.643 -1.643 704 3HD1 ILE 91 2HD1 ILE 91 -15.968 -3.197 -3.197 705 H GLU 92 HN GLU 92 -21.268 -3.861 -3.861 706 HA GLU 92 HA GLU 92 -22.989 -2.323 -2.323 707 1HB GLU 92 2HB GLU 92 -23.952 -4.792 -4.792 708 2HB GLU 92 1HB GLU 92 -24.472 -4.099 -4.099 709 1HG GLU 92 2HG GLU 92 -22.567 -4.920 -4.920 710 2HG GLU 92 1HG GLU 92 -21.767 -5.343 -5.343 711 H TRP 93 HN TRP 93 -24.697 -1.176 -1.176 712 HA TRP 93 HA TRP 93 -25.386 -1.426 -1.426 713 1HB TRP 93 2HB TRP 93 -24.956 0.868 0.868 714 2HB TRP 93 1HB TRP 93 -23.472 0.187 0.187 715 HD1 TRP 93 1HD TRP 93 -25.762 3.078 3.078 716 HE1 TRP 93 1HE TRP 93 -25.118 4.452 4.452 717 HE3 TRP 93 3HE TRP 93 -22.547 -0.233 -0.233 718 HZ2 TRP 93 2HZ TRP 93 -23.468 4.170 4.170 719 HZ3 TRP 93 3HZ TRP 93 -21.479 0.397 0.397 720 HH2 TRP 93 2HH TRP 93 -21.931 2.553 2.553 721 H THR 94 HN THR 94 -27.442 -0.770 -0.770 722 HA THR 94 HA THR 94 -28.973 0.525 0.525 723 HB THR 94 HB THR 94 -29.506 -1.806 -1.806 724 HG1 THR 94 1HG THR 94 -31.285 -0.332 -0.332 725 1HG2 THR 94 1HG2 THR 94 -28.987 -2.000 -2.000 726 2HG2 THR 94 3HG2 THR 94 -30.729 -2.247 -2.247 727 3HG2 THR 94 2HG2 THR 94 -29.629 -3.269 -3.269 728 H ASN 95 HN ASN 95 -30.699 1.817 1.817 729 HA ASN 95 HA ASN 95 -30.402 3.273 3.273 730 1HB ASN 95 2HB ASN 95 -32.140 3.298 3.298 731 2HB ASN 95 1HB ASN 95 -33.183 3.213 3.213 732 1HD2 ASN 95 2HD2 ASN 95 -31.839 6.705 6.705 733 2HD2 ASN 95 1HD2 ASN 95 -32.089 5.321 5.321 734 H THR 96 HN THR 96 -31.171 3.157 3.157 735 HA THR 96 HA THR 96 -32.169 0.596 0.596 736 HB THR 96 HB THR 96 -32.124 1.866 1.866 737 HG1 THR 96 1HG THR 96 -31.899 3.935 3.935 738 1HG2 THR 96 1HG2 THR 96 -30.331 0.272 0.272 739 2HG2 THR 96 3HG2 THR 96 -29.396 1.767 1.767 740 3HG2 THR 96 2HG2 THR 96 -30.012 1.151 1.151 741 HA PRO 97 HA PRO 97 -36.503 1.447 1.447 742 1HB PRO 97 2HB PRO 97 -36.537 0.063 0.063 743 2HB PRO 97 1HB PRO 97 -37.463 -0.281 -0.281 744 1HG PRO 97 2HG PRO 97 -35.426 -1.841 -1.841 745 2HG PRO 97 1HG PRO 97 -35.729 -1.463 -1.463 746 1HD PRO 97 2HD PRO 97 -33.658 -0.361 -0.361 747 2HD PRO 97 1HD PRO 97 -33.538 -0.747 -0.747 748 H ASP 98 HN ASP 98 -38.139 2.600 2.600 749 HA ASP 98 HA ASP 98 -37.321 4.955 4.955 750 1HB ASP 98 2HB ASP 98 -39.740 3.882 3.882 751 2HB ASP 98 1HB ASP 98 -39.901 3.993 3.993 752 H GLY 99 HN GLY 99 -36.388 5.415 5.415 753 1HA GLY 99 2HA GLY 99 -35.625 5.200 5.200 754 2HA GLY 99 1HA GLY 99 -37.242 4.610 4.610 755 H ALA 100 HN ALA 100 -34.733 3.155 3.155 756 HA ALA 100 HA ALA 100 -35.140 0.565 0.565 757 1HB ALA 100 3HB ALA 100 -33.920 1.520 1.520 758 2HB ALA 100 2HB ALA 100 -32.509 1.164 1.164 759 3HB ALA 100 1HB ALA 100 -33.666 -0.112 -0.112 760 H ALA 101 HN ALA 101 -33.535 -0.769 -0.769 761 HA ALA 101 HA ALA 101 -32.633 0.500 0.500 762 1HB ALA 101 3HB ALA 101 -33.508 -1.774 -1.774 763 2HB ALA 101 2HB ALA 101 -32.176 -2.309 -2.309 764 3HB ALA 101 1HB ALA 101 -31.852 -1.725 -1.725 765 H LYS 102 HN LYS 102 -30.436 0.184 0.184 766 HA LYS 102 HA LYS 102 -28.505 1.039 1.039 767 1HB LYS 102 2HB LYS 102 -27.028 1.402 1.402 768 2HB LYS 102 1HB LYS 102 -28.506 2.355 2.355 769 1HG LYS 102 2HG LYS 102 -29.442 1.203 1.203 770 2HG LYS 102 1HG LYS 102 -28.508 -0.259 -0.259 771 1HD LYS 102 2HD LYS 102 -26.468 1.199 1.199 772 2HD LYS 102 1HD LYS 102 -27.674 2.250 2.250 773 1HE LYS 102 2HE LYS 102 -28.182 -0.488 -0.488 774 2HE LYS 102 1HE LYS 102 -26.510 -0.073 -0.073 775 1HZ LYS 102 1HZ LYS 102 -28.560 1.846 1.846 776 2HZ LYS 102 3HZ LYS 102 -28.489 0.402 0.402 777 3HZ LYS 102 2HZ LYS 102 -27.130 1.405 1.405 778 H GLN 103 HN GLN 103 -28.655 -1.152 -1.152 779 HA GLN 103 HA GLN 103 -26.310 -2.612 -2.612 780 1HB GLN 103 2HB GLN 103 -28.628 -3.389 -3.389 781 2HB GLN 103 1HB GLN 103 -28.183 -4.687 -4.687 782 1HG GLN 103 2HG GLN 103 -25.901 -3.533 -3.533 783 2HG GLN 103 1HG GLN 103 -27.104 -4.228 -4.228 784 1HE2 GLN 103 2HE2 GLN 103 -25.161 -7.126 -7.126 785 2HE2 GLN 103 1HE2 GLN 103 -25.393 -5.748 -5.748 786 H PHE 104 HN PHE 104 -25.725 -3.751 -3.751 787 HA PHE 104 HA PHE 104 -27.128 -3.486 -3.486 788 1HB PHE 104 2HB PHE 104 -24.732 -3.860 -3.860 789 2HB PHE 104 1HB PHE 104 -24.951 -5.442 -5.442 790 HD1 PHE 104 1HD PHE 104 -25.907 -3.517 -3.517 791 HD2 PHE 104 2HD PHE 104 -25.005 -7.314 -7.314 792 HE1 PHE 104 1HE PHE 104 -26.017 -4.537 -4.537 793 HE2 PHE 104 2HE PHE 104 -25.111 -8.341 -8.341 794 HZ PHE 104 HZ PHE 104 -25.618 -6.952 -6.952 795 H ARG 105 HN ARG 105 -28.365 -4.892 -4.892 796 HA ARG 105 HA ARG 105 -29.333 -7.303 -7.303 797 1HB ARG 105 2HB ARG 105 -30.851 -5.091 -5.091 798 2HB ARG 105 1HB ARG 105 -31.500 -6.722 -6.722 799 1HG ARG 105 2HG ARG 105 -30.689 -6.104 -6.104 800 2HG ARG 105 1HG ARG 105 -31.830 -4.908 -4.908 801 1HD ARG 105 2HD ARG 105 -33.493 -6.497 -6.497 802 2HD ARG 105 1HD ARG 105 -32.347 -7.837 -7.837 803 HE ARG 105 HE ARG 105 -32.194 -6.796 -6.796 804 1HH1 ARG 105 1HH2 ARG 105 -34.760 -8.026 -8.026 805 2HH1 ARG 105 2HH2 ARG 105 -35.705 -8.597 -8.597 806 1HH2 ARG 105 1HH1 ARG 105 -33.431 -7.542 -7.542 807 2HH2 ARG 105 2HH1 ARG 105 -34.950 -8.321 -8.321 808 H ARG 106 HN ARG 106 -29.993 -9.051 -9.051 809 HA ARG 106 HA ARG 106 -28.426 -9.275 -9.275 810 1HB ARG 106 2HB ARG 106 -28.745 -11.110 -11.110 811 2HB ARG 106 1HB ARG 106 -30.378 -11.295 -11.295 812 1HG ARG 106 2HG ARG 106 -28.953 -11.438 -11.438 813 2HG ARG 106 1HG ARG 106 -27.814 -12.142 -12.142 814 1HD ARG 106 2HD ARG 106 -30.653 -13.021 -13.021 815 2HD ARG 106 1HD ARG 106 -29.184 -13.885 -13.885 816 HE ARG 106 HE ARG 106 -29.227 -13.424 -13.424 817 1HH1 ARG 106 1HH2 ARG 106 -30.718 -15.374 -15.374 818 2HH1 ARG 106 2HH2 ARG 106 -31.064 -16.695 -16.695 819 1HH2 ARG 106 1HH1 ARG 106 -29.676 -15.156 -15.156 820 2HH2 ARG 106 2HH1 ARG 106 -30.471 -16.569 -16.569 821 H GLU 107 HN GLU 107 -31.876 -9.296 -9.296 822 HA GLU 107 HA GLU 107 -32.788 -9.691 -9.691 823 1HB GLU 107 2HB GLU 107 -33.941 -9.429 -9.429 824 2HB GLU 107 1HB GLU 107 -34.744 -8.283 -8.283 825 1HG GLU 107 2HG GLU 107 -35.267 -10.075 -10.075 826 2HG GLU 107 1HG GLU 107 -34.434 -11.231 -11.231 827 H TRP 108 HN TRP 108 -31.446 -6.966 -6.966 828 HA TRP 108 HA TRP 108 -32.827 -4.822 -4.822 829 1HB TRP 108 2HB TRP 108 -30.021 -5.295 -5.295 830 2HB TRP 108 1HB TRP 108 -30.313 -3.873 -3.873 831 HD1 TRP 108 1HD TRP 108 -33.321 -4.386 -4.386 832 HE1 TRP 108 1HE TRP 108 -33.327 -2.856 -2.856 833 HE3 TRP 108 3HE TRP 108 -28.424 -2.918 -2.918 834 HZ2 TRP 108 2HZ TRP 108 -31.499 -1.240 -1.240 835 HZ3 TRP 108 3HZ TRP 108 -27.632 -1.378 -1.378 836 HH2 TRP 108 2HH TRP 108 -29.139 -0.557 -0.557 837 H PHE 109 HN PHE 109 -30.855 -7.130 -7.130 838 HA PHE 109 HA PHE 109 -30.790 -5.481 -5.481 839 1HB PHE 109 2HB PHE 109 -29.326 -7.970 -7.970 840 2HB PHE 109 1HB PHE 109 -29.370 -7.470 -7.470 841 HD1 PHE 109 2HD PHE 109 -29.038 -4.661 -4.661 842 HD2 PHE 109 1HD PHE 109 -27.281 -7.516 -7.516 843 HE1 PHE 109 2HE PHE 109 -27.159 -3.125 -3.125 844 HE2 PHE 109 1HE PHE 109 -25.399 -5.985 -5.985 845 HZ PHE 109 HZ PHE 109 -25.336 -3.786 -3.786 846 H GLN 110 HN GLN 110 -32.276 -8.298 -8.298 847 HA GLN 110 HA GLN 110 -33.410 -9.108 -9.108 848 1HB GLN 110 2HB GLN 110 -33.596 -10.329 -10.329 849 2HB GLN 110 1HB GLN 110 -34.388 -10.986 -10.986 850 1HG GLN 110 2HG GLN 110 -32.259 -11.385 -11.385 851 2HG GLN 110 1HG GLN 110 -31.417 -10.612 -10.612 852 1HE2 GLN 110 2HE2 GLN 110 -31.767 -14.454 -14.454 853 2HE2 GLN 110 1HE2 GLN 110 -31.613 -13.436 -13.436 854 H GLY 111 HN GLY 111 -34.130 -6.579 -6.579 855 1HA GLY 111 2HA GLY 111 -37.043 -7.031 -7.031 856 2HA GLY 111 1HA GLY 111 -36.282 -6.116 -6.116 857 H ASP 112 HN ASP 112 -34.915 -4.260 -4.260 858 HA ASP 112 HA ASP 112 -36.523 -2.516 -2.516 859 1HB ASP 112 2HB ASP 112 -33.786 -2.247 -2.247 860 2HB ASP 112 1HB ASP 112 -34.508 -0.959 -0.959 861 H GLY 113 HN GLY 113 -36.646 -2.627 -2.627 862 1HA GLY 113 2HA GLY 113 -35.091 -4.044 -4.044 863 2HA GLY 113 1HA GLY 113 -35.974 -2.599 -2.599 864 H MET 114 HN MET 114 -34.861 -0.514 -0.514 865 HA MET 114 HA MET 114 -32.544 -0.219 -0.219 866 1HB MET 114 2HB MET 114 -33.426 1.431 1.431 867 2HB MET 114 1HB MET 114 -32.214 1.925 1.925 868 1HG MET 114 2HG MET 114 -33.742 2.444 2.444 869 2HG MET 114 1HG MET 114 -34.818 1.124 1.124 870 1HE MET 114 3HE MET 114 -36.791 2.647 2.647 871 2HE MET 114 2HE MET 114 -37.252 4.082 4.082 872 3HE MET 114 1HE MET 114 -35.933 4.167 4.167 873 H VAL 115 HN VAL 115 -30.687 -1.266 -1.266 874 HA VAL 115 HA VAL 115 -29.368 -1.147 -1.147 875 HB VAL 115 HB VAL 115 -29.539 -3.663 -3.663 876 1HG1 VAL 115 1HG1 VAL 115 -28.136 -3.101 -3.101 877 2HG1 VAL 115 3HG1 VAL 115 -28.326 -4.698 -4.698 878 3HG1 VAL 115 2HG1 VAL 115 -27.376 -3.463 -3.463 879 1HG2 VAL 115 2HG2 VAL 115 -31.292 -2.625 -2.625 880 2HG2 VAL 115 1HG2 VAL 115 -31.364 -4.183 -4.183 881 3HG2 VAL 115 3HG2 VAL 115 -30.460 -4.022 -4.022 882 H ARG 116 HN ARG 116 -27.379 -0.360 -0.360 883 HA ARG 116 HA ARG 116 -26.200 -0.111 -0.111 884 1HB ARG 116 2HB ARG 116 -25.824 1.167 1.167 885 2HB ARG 116 1HB ARG 116 -24.377 1.016 1.016 886 1HG ARG 116 2HG ARG 116 -26.945 2.292 2.292 887 2HG ARG 116 1HG ARG 116 -25.549 3.170 3.170 888 1HD ARG 116 2HD ARG 116 -24.476 3.043 3.043 889 2HD ARG 116 1HD ARG 116 -24.806 1.317 1.317 890 HE ARG 116 HE ARG 116 -27.177 2.546 2.546 891 1HH1 ARG 116 1HH2 ARG 116 -23.916 2.691 2.691 892 2HH1 ARG 116 2HH2 ARG 116 -24.396 3.083 3.083 893 1HH2 ARG 116 1HH1 ARG 116 -27.821 3.061 3.061 894 2HH2 ARG 116 2HH1 ARG 116 -26.617 3.293 3.293 895 H ARG 117 HN ARG 117 -24.311 -1.030 -1.030 896 HA ARG 117 HA ARG 117 -22.964 -2.891 -2.891 897 1HB ARG 117 2HB ARG 117 -24.444 -4.226 -4.226 898 2HB ARG 117 1HB ARG 117 -23.799 -3.474 -3.474 899 1HG ARG 117 2HG ARG 117 -21.560 -4.433 -4.433 900 2HG ARG 117 1HG ARG 117 -22.394 -5.352 -5.352 901 1HD ARG 117 2HD ARG 117 -23.316 -5.457 -5.457 902 2HD ARG 117 1HD ARG 117 -21.971 -6.457 -6.457 903 HE ARG 117 HE ARG 117 -24.069 -6.833 -6.833 904 1HH1 ARG 117 1HH2 ARG 117 -23.372 -7.406 -7.406 905 2HH1 ARG 117 2HH2 ARG 117 -24.411 -8.788 -8.788 906 1HH2 ARG 117 1HH1 ARG 117 -25.440 -8.650 -8.650 907 2HH2 ARG 117 2HH1 ARG 117 -25.587 -9.495 -9.495 908 H LYS 118 HN LYS 118 -20.818 -2.691 -2.691 909 HA LYS 118 HA LYS 118 -19.521 -1.334 -1.334 910 1HB LYS 118 2HB LYS 118 -19.423 -0.723 -0.723 911 2HB LYS 118 1HB LYS 118 -17.894 -0.642 -0.642 912 1HG LYS 118 2HG LYS 118 -19.198 0.823 0.823 913 2HG LYS 118 1HG LYS 118 -20.361 1.002 1.002 914 1HD LYS 118 2HD LYS 118 -18.975 2.811 2.811 915 2HD LYS 118 1HD LYS 118 -18.249 1.596 1.596 916 1HE LYS 118 2HE LYS 118 -16.377 2.345 2.345 917 2HE LYS 118 1HE LYS 118 -16.851 1.051 1.051 918 1HZ LYS 118 3HZ LYS 118 -18.203 3.042 3.042 919 2HZ LYS 118 2HZ LYS 118 -16.946 3.941 3.941 920 3HZ LYS 118 1HZ LYS 118 -16.599 2.714 2.714 921 H ASN 119 HN ASN 119 -17.191 -1.745 -1.745 922 HA ASN 119 HA ASN 119 -16.294 -4.235 -4.235 923 1HB ASN 119 2HB ASN 119 -16.302 -3.793 -3.793 924 2HB ASN 119 1HB ASN 119 -15.592 -5.173 -5.173 925 1HD2 ASN 119 2HD2 ASN 119 -19.527 -5.039 -5.039 926 2HD2 ASN 119 1HD2 ASN 119 -18.437 -3.767 -3.767 927 H LEU 120 HN LEU 120 -14.085 -4.389 -4.389 928 HA LEU 120 HA LEU 120 -12.473 -2.161 -2.161 929 1HB LEU 120 2HB LEU 120 -12.837 -3.096 -3.096 930 2HB LEU 120 1HB LEU 120 -11.198 -2.696 -2.696 931 HG LEU 120 HG LEU 120 -11.937 -0.437 -0.437 932 1HD1 LEU 120 3HD1 LEU 120 -14.547 -1.642 -1.642 933 2HD1 LEU 120 2HD1 LEU 120 -14.388 -0.145 -0.145 934 3HD1 LEU 120 1HD1 LEU 120 -14.088 -0.150 -0.150 935 1HD2 LEU 120 3HD2 LEU 120 -11.189 -1.105 -1.105 936 2HD2 LEU 120 2HD2 LEU 120 -12.051 0.424 0.424 937 3HD2 LEU 120 1HD2 LEU 120 -12.894 -0.997 -0.997 938 HA PRO 121 HA PRO 121 -10.480 -5.991 -5.991 939 1HB PRO 121 2HB PRO 121 -8.973 -3.919 -3.919 940 2HB PRO 121 1HB PRO 121 -9.763 -5.385 -5.385 941 1HG PRO 121 2HG PRO 121 -10.831 -2.983 -2.983 942 2HG PRO 121 1HG PRO 121 -11.853 -4.387 -4.387 943 1HD PRO 121 2HD PRO 121 -11.044 -2.119 -2.119 944 2HD PRO 121 1HD PRO 121 -12.599 -2.968 -2.968 945 H ILE 122 HN ILE 122 -8.707 -6.939 -6.939 946 HA ILE 122 HA ILE 122 -6.867 -5.275 -5.275 947 HB ILE 122 HB ILE 122 -6.956 -8.285 -8.285 948 1HG1 ILE 122 2HG1 ILE 122 -9.187 -7.393 -7.393 949 2HG1 ILE 122 1HG1 ILE 122 -8.414 -8.181 -8.181 950 1HG2 ILE 122 1HG2 ILE 122 -5.534 -6.213 -6.213 951 2HG2 ILE 122 3HG2 ILE 122 -6.195 -7.539 -7.539 952 3HG2 ILE 122 2HG2 ILE 122 -5.073 -7.877 -7.877 953 1HD1 ILE 122 2HD1 ILE 122 -7.634 -5.781 -5.781 954 2HD1 ILE 122 1HD1 ILE 122 -8.950 -5.288 -5.288 955 3HD1 ILE 122 3HD1 ILE 122 -9.288 -6.281 -6.281 956 H GLU 123 HN GLU 123 -4.658 -5.297 -5.297 957 HA GLU 123 HA GLU 123 -3.602 -6.740 -6.740 958 1HB GLU 123 2HB GLU 123 -3.557 -3.815 -3.815 959 2HB GLU 123 1HB GLU 123 -2.120 -4.530 -4.530 960 1HG GLU 123 2HG GLU 123 -3.794 -5.560 -5.560 961 2HG GLU 123 1HG GLU 123 -4.874 -4.290 -4.290 962 H TYR 124 HN TYR 124 -1.219 -6.849 -6.849 963 HA TYR 124 HA TYR 124 -0.131 -6.846 -6.846 964 1HB TYR 124 2HB TYR 124 0.628 -8.904 -8.904 965 2HB TYR 124 1HB TYR 124 0.910 -8.942 -8.942 966 HD1 TYR 124 1HD TYR 124 -1.868 -8.916 -8.916 967 HD2 TYR 124 2HD TYR 124 -0.539 -10.146 -10.146 968 HE1 TYR 124 1HE TYR 124 -3.943 -10.202 -10.202 969 HE2 TYR 124 2HE TYR 124 -2.609 -11.436 -11.436 970 HH TYR 124 HH TYR 124 -5.312 -11.016 -11.016 971 H ASN 125 HN ASN 125 1.672 -5.719 -5.719 972 HA ASN 125 HA ASN 125 3.262 -5.074 -5.074 973 1HB ASN 125 2HB ASN 125 2.012 -3.204 -3.204 974 2HB ASN 125 1HB ASN 125 3.317 -3.399 -3.399 975 1HD2 ASN 125 2HD2 ASN 125 5.102 -1.027 -1.027 976 2HD2 ASN 125 1HD2 ASN 125 4.360 -1.502 -1.502 977 H LEU 126 HN LEU 126 4.464 -7.028 -7.028 978 HA LEU 126 HA LEU 126 5.865 -7.663 -7.663 979 1HB LEU 126 2HB LEU 126 6.871 -8.296 -8.296 980 2HB LEU 126 1HB LEU 126 7.072 -9.228 -9.228 981 HG LEU 126 HG LEU 126 4.568 -8.923 -8.923 982 1HD1 LEU 126 2HD1 LEU 126 6.441 -11.178 -11.178 983 2HD1 LEU 126 1HD1 LEU 126 4.786 -11.470 -11.470 984 3HD1 LEU 126 3HD1 LEU 126 5.906 -10.589 -10.589 985 1HD2 LEU 126 3HD2 LEU 126 4.879 -9.503 -9.503 986 2HD2 LEU 126 2HD2 LEU 126 3.432 -9.099 -9.099 987 3HD2 LEU 126 1HD2 LEU 126 4.013 -10.764 -10.764 988 1H ALA 1 3HN ALA 1 46.155 -2.223 -2.223 989 2H ALA 1 2HN ALA 1 47.275 -3.316 -3.316 990 3H ALA 1 1HN ALA 1 45.981 -3.908 -3.908 991 HA ALA 1 HA ALA 1 45.287 -4.309 -4.309 992 1HB ALA 1 3HB ALA 1 47.088 -3.083 -3.083 993 2HB ALA 1 2HB ALA 1 46.271 -1.561 -1.561 994 3HB ALA 1 1HB ALA 1 45.518 -2.733 -2.733 995 H GLN 2 HN GLN 2 43.215 -4.416 -4.416 996 HA GLN 2 HA GLN 2 41.609 -1.997 -1.997 997 1HB GLN 2 2HB GLN 2 42.174 -3.379 -3.379 998 2HB GLN 2 1HB GLN 2 40.460 -3.140 -3.140 999 1HG GLN 2 2HG GLN 2 40.579 -0.920 -0.920 1000 2HG GLN 2 1HG GLN 2 42.155 -0.791 -0.791 1001 1HE2 GLN 2 2HE2 GLN 2 44.006 -1.007 -1.007 1002 2HE2 GLN 2 1HE2 GLN 2 44.017 -1.060 -1.060 1003 H SER 3 HN SER 3 39.335 -2.421 -2.421 1004 HA SER 3 HA SER 3 38.855 -4.942 -4.942 1005 1HB SER 3 2HB SER 3 38.133 -2.702 -2.702 1006 2HB SER 3 1HB SER 3 36.922 -2.645 -2.645 1007 HG SER 3 HG SER 3 35.964 -3.531 -3.531 1008 H VAL 4 HN VAL 4 36.657 -5.979 -5.979 1009 HA VAL 4 HA VAL 4 36.356 -6.473 -6.473 1010 HB VAL 4 HB VAL 4 34.797 -8.321 -8.321 1011 1HG1 VAL 4 1HG1 VAL 4 37.147 -8.634 -8.634 1012 2HG1 VAL 4 3HG1 VAL 4 37.663 -8.480 -8.480 1013 3HG1 VAL 4 2HG1 VAL 4 36.618 -9.816 -9.816 1014 1HG2 VAL 4 2HG2 VAL 4 34.658 -7.142 -7.142 1015 2HG2 VAL 4 1HG2 VAL 4 34.726 -8.903 -8.903 1016 3HG2 VAL 4 3HG2 VAL 4 36.175 -7.977 -7.977 1017 HA PRO 5 HA PRO 5 32.569 -4.314 -4.314 1018 1HB PRO 5 2HB PRO 5 31.051 -6.185 -6.185 1019 2HB PRO 5 1HB PRO 5 32.300 -5.191 -5.191 1020 1HG PRO 5 2HG PRO 5 32.455 -8.013 -8.013 1021 2HG PRO 5 1HG PRO 5 33.135 -7.297 -7.297 1022 1HD PRO 5 2HD PRO 5 34.659 -7.795 -7.795 1023 2HD PRO 5 1HD PRO 5 34.933 -6.368 -6.368 1024 HA PRO 6 HA PRO 6 29.897 -5.476 -5.476 1025 1HB PRO 6 2HB PRO 6 27.767 -3.895 -3.895 1026 2HB PRO 6 1HB PRO 6 29.280 -3.263 -3.263 1027 1HG PRO 6 2HG PRO 6 28.309 -3.283 -3.283 1028 2HG PRO 6 1HG PRO 6 29.108 -1.980 -1.980 1029 1HD PRO 6 2HD PRO 6 30.432 -3.568 -3.568 1030 2HD PRO 6 1HD PRO 6 31.206 -2.885 -2.885 1031 H GLY 7 HN GLY 7 28.305 -6.939 -6.939 1032 1HA GLY 7 2HA GLY 7 27.352 -8.535 -8.535 1033 2HA GLY 7 1HA GLY 7 26.912 -8.711 -8.711 1034 H ASP 8 HN ASP 8 25.598 -8.312 -8.312 1035 HA ASP 8 HA ASP 8 23.877 -6.152 -6.152 1036 1HB ASP 8 2HB ASP 8 23.697 -8.875 -8.875 1037 2HB ASP 8 1HB ASP 8 22.298 -7.806 -7.806 1038 H ILE 9 HN ILE 9 22.336 -5.568 -5.568 1039 HA ILE 9 HA ILE 9 21.275 -7.535 -7.535 1040 HB ILE 9 HB ILE 9 20.327 -5.595 -5.595 1041 1HG1 ILE 9 2HG1 ILE 9 21.858 -3.546 -3.546 1042 2HG1 ILE 9 1HG1 ILE 9 20.710 -4.292 -4.292 1043 1HG2 ILE 9 2HG2 ILE 9 23.201 -5.960 -5.960 1044 2HG2 ILE 9 1HG2 ILE 9 22.749 -4.461 -4.461 1045 3HG2 ILE 9 3HG2 ILE 9 22.312 -6.014 -6.014 1046 1HD1 ILE 9 3HD1 ILE 9 18.920 -3.847 -3.847 1047 2HD1 ILE 9 2HD1 ILE 9 20.101 -2.963 -2.963 1048 3HD1 ILE 9 1HD1 ILE 9 19.681 -2.394 -2.394 1049 H ASN 10 HN ASN 10 19.279 -8.341 -8.341 1050 HA ASN 10 HA ASN 10 17.621 -7.815 -7.815 1051 1HB ASN 10 2HB ASN 10 17.708 -9.704 -9.704 1052 2HB ASN 10 1HB ASN 10 16.066 -9.100 -9.100 1053 1HD2 ASN 10 2HD2 ASN 10 17.147 -12.027 -12.027 1054 2HD2 ASN 10 1HD2 ASN 10 17.666 -11.660 -11.660 1055 H THR 11 HN THR 11 15.610 -6.799 -6.799 1056 HA THR 11 HA THR 11 14.747 -5.247 -5.247 1057 HB THR 11 HB THR 11 14.324 -3.417 -3.417 1058 HG1 THR 11 1HG THR 11 16.888 -4.445 -4.445 1059 1HG2 THR 11 2HG2 THR 11 15.756 -3.439 -3.439 1060 2HG2 THR 11 1HG2 THR 11 17.044 -3.264 -3.264 1061 3HG2 THR 11 3HG2 THR 11 15.725 -2.095 -2.095 1062 H GLN 12 HN GLN 12 12.579 -4.983 -4.983 1063 HA GLN 12 HA GLN 12 10.892 -5.795 -5.795 1064 1HB GLN 12 2HB GLN 12 10.505 -6.744 -6.744 1065 2HB GLN 12 1HB GLN 12 9.483 -7.136 -7.136 1066 1HG GLN 12 2HG GLN 12 11.363 -8.302 -8.302 1067 2HG GLN 12 1HG GLN 12 12.366 -7.929 -7.929 1068 1HE2 GLN 12 2HE2 GLN 12 10.886 -11.368 -11.368 1069 2HE2 GLN 12 1HE2 GLN 12 11.741 -10.521 -10.521 1070 HA PRO 13 HA PRO 13 9.282 -4.984 -4.984 1071 1HB PRO 13 2HB PRO 13 9.351 -2.138 -2.138 1072 2HB PRO 13 1HB PRO 13 8.186 -3.396 -3.396 1073 1HG PRO 13 2HG PRO 13 7.549 -1.438 -1.438 1074 2HG PRO 13 1HG PRO 13 6.950 -3.093 -3.093 1075 1HD PRO 13 2HD PRO 13 9.192 -1.678 -1.678 1076 2HD PRO 13 1HD PRO 13 7.952 -2.761 -2.761 1077 H SER 14 HN SER 14 10.740 -5.092 -5.092 1078 HA SER 14 HA SER 14 13.456 -4.692 -4.692 1079 1HB SER 14 2HB SER 14 12.006 -5.561 -5.561 1080 2HB SER 14 1HB SER 14 13.735 -5.225 -5.225 1081 HG SER 14 HG SER 14 13.939 -7.179 -7.179 1082 H GLN 15 HN GLN 15 11.202 -2.914 -2.914 1083 HA GLN 15 HA GLN 15 12.554 -0.469 -0.469 1084 1HB GLN 15 2HB GLN 15 13.430 -0.151 -0.151 1085 2HB GLN 15 1HB GLN 15 14.243 -1.473 -1.473 1086 1HG GLN 15 2HG GLN 15 12.047 -2.580 -2.580 1087 2HG GLN 15 1HG GLN 15 12.871 -1.486 -1.486 1088 1HE2 GLN 15 2HE2 GLN 15 14.550 -4.620 -4.620 1089 2HE2 GLN 15 1HE2 GLN 15 13.069 -3.813 -3.813 1090 H LYS 16 HN LYS 16 9.948 -1.083 -1.083 1091 HA LYS 16 HA LYS 16 8.667 0.774 0.774 1092 1HB LYS 16 2HB LYS 16 8.847 -1.558 -1.558 1093 2HB LYS 16 1HB LYS 16 7.420 -1.913 -1.913 1094 1HG LYS 16 2HG LYS 16 6.164 -0.234 -0.234 1095 2HG LYS 16 1HG LYS 16 7.597 0.581 0.581 1096 1HD LYS 16 2HD LYS 16 7.964 -1.615 -1.615 1097 2HD LYS 16 1HD LYS 16 6.261 -1.919 -1.919 1098 1HE LYS 16 2HE LYS 16 5.870 -0.752 -0.752 1099 2HE LYS 16 1HE LYS 16 6.192 0.662 0.662 1100 1HZ LYS 16 2HZ LYS 16 8.603 -0.469 -0.469 1101 2HZ LYS 16 1HZ LYS 16 7.548 -0.087 -0.087 1102 3HZ LYS 16 3HZ LYS 16 8.012 1.108 1.108 1103 H ILE 17 HN ILE 17 7.333 1.779 1.779 1104 HA ILE 17 HA ILE 17 5.623 0.219 0.219 1105 HB ILE 17 HB ILE 17 7.488 0.917 0.917 1106 1HG1 ILE 17 2HG1 ILE 17 5.259 2.812 2.812 1107 2HG1 ILE 17 1HG1 ILE 17 5.003 1.070 1.070 1108 1HG2 ILE 17 3HG2 ILE 17 7.928 2.943 2.943 1109 2HG2 ILE 17 2HG2 ILE 17 6.847 3.794 3.794 1110 3HG2 ILE 17 1HG2 ILE 17 8.329 3.058 3.058 1111 1HD1 ILE 17 2HD1 ILE 17 7.396 1.584 1.584 1112 2HD1 ILE 17 1HD1 ILE 17 6.217 2.777 2.777 1113 3HD1 ILE 17 3HD1 ILE 17 5.847 1.057 1.057 1114 H VAL 18 HN VAL 18 3.643 1.220 1.220 1115 HA VAL 18 HA VAL 18 3.094 3.794 3.794 1116 HB VAL 18 HB VAL 18 2.404 2.134 2.134 1117 1HG1 VAL 18 1HG1 VAL 18 1.953 0.450 0.450 1118 2HG1 VAL 18 3HG1 VAL 18 0.300 1.010 1.010 1119 3HG1 VAL 18 2HG1 VAL 18 1.190 0.263 0.263 1120 1HG2 VAL 18 3HG2 VAL 18 1.022 4.207 4.207 1121 2HG2 VAL 18 2HG2 VAL 18 0.200 2.892 2.892 1122 3HG2 VAL 18 1HG2 VAL 18 -0.092 3.165 3.165 1123 H PHE 19 HN PHE 19 2.720 4.918 4.918 1124 HA PHE 19 HA PHE 19 1.522 4.051 4.051 1125 1HB PHE 19 2HB PHE 19 1.500 6.789 6.789 1126 2HB PHE 19 1HB PHE 19 0.912 6.483 6.483 1127 HD1 PHE 19 2HD PHE 19 3.411 4.257 4.257 1128 HD2 PHE 19 1HD PHE 19 2.915 8.474 8.474 1129 HE1 PHE 19 2HE PHE 19 5.684 4.589 4.589 1130 HE2 PHE 19 1HE PHE 19 5.190 8.809 8.809 1131 HZ PHE 19 HZ PHE 19 6.577 6.866 6.866 1132 H ASN 20 HN ASN 20 -0.356 2.998 2.998 1133 HA ASN 20 HA ASN 20 -2.508 3.467 3.467 1134 1HB ASN 20 2HB ASN 20 -1.771 1.327 1.327 1135 2HB ASN 20 1HB ASN 20 -3.041 1.973 1.973 1136 1HD2 ASN 20 2HD2 ASN 20 -5.633 0.827 0.827 1137 2HD2 ASN 20 1HD2 ASN 20 -5.093 1.578 1.578 1138 H ALA 21 HN ALA 21 -4.361 4.591 4.591 1139 HA ALA 21 HA ALA 21 -4.477 6.721 6.721 1140 1HB ALA 21 3HB ALA 21 -6.105 5.650 5.650 1141 2HB ALA 21 2HB ALA 21 -7.107 6.216 6.216 1142 3HB ALA 21 1HB ALA 21 -5.957 7.312 7.312 1143 HA PRO 22 HA PRO 22 -6.595 7.800 7.800 1144 1HB PRO 22 2HB PRO 22 -7.664 8.943 8.943 1145 2HB PRO 22 1HB PRO 22 -8.582 7.763 7.763 1146 1HG PRO 22 2HG PRO 22 -7.161 7.416 7.416 1147 2HG PRO 22 1HG PRO 22 -8.714 6.750 6.750 1148 1HD PRO 22 2HD PRO 22 -6.278 5.397 5.397 1149 2HD PRO 22 1HD PRO 22 -7.724 4.933 4.933 1150 H TYR 23 HN TYR 23 -5.727 9.908 9.908 1151 HA TYR 23 HA TYR 23 -3.225 9.774 9.774 1152 1HB TYR 23 2HB TYR 23 -4.205 11.709 11.709 1153 2HB TYR 23 1HB TYR 23 -2.684 11.896 11.896 1154 HD1 TYR 23 2HD TYR 23 -1.854 9.009 9.009 1155 HD2 TYR 23 1HD TYR 23 -3.438 11.374 11.374 1156 HE1 TYR 23 2HE TYR 23 -0.743 7.553 7.553 1157 HE2 TYR 23 1HE TYR 23 -2.330 9.924 9.924 1158 HH TYR 23 HH TYR 23 0.046 8.153 8.153 1159 H ASP 24 HN ASP 24 -5.830 10.080 10.080 1160 HA ASP 24 HA ASP 24 -5.589 12.796 12.796 1161 1HB ASP 24 2HB ASP 24 -7.895 10.845 10.845 1162 2HB ASP 24 1HB ASP 24 -7.893 12.358 12.358 1163 H ASP 25 HN ASP 25 -4.345 9.909 9.909 1164 HA ASP 25 HA ASP 25 -4.239 10.469 10.469 1165 1HB ASP 25 2HB ASP 25 -6.076 8.635 8.635 1166 2HB ASP 25 1HB ASP 25 -4.671 7.609 7.609 1167 H LYS 26 HN LYS 26 -2.409 9.626 9.626 1168 HA LYS 26 HA LYS 26 -0.095 9.413 9.413 1169 1HB LYS 26 2HB LYS 26 -0.615 8.443 8.443 1170 2HB LYS 26 1HB LYS 26 0.979 8.582 8.582 1171 1HG LYS 26 2HG LYS 26 0.692 10.981 10.981 1172 2HG LYS 26 1HG LYS 26 -0.935 10.863 10.863 1173 1HD LYS 26 2HD LYS 26 -0.180 10.690 10.690 1174 2HD LYS 26 1HD LYS 26 1.171 9.653 9.653 1175 1HE LYS 26 2HE LYS 26 2.525 11.474 11.474 1176 2HE LYS 26 1HE LYS 26 1.154 12.579 12.579 1177 1HZ LYS 26 3HZ LYS 26 0.912 12.081 12.081 1178 2HZ LYS 26 2HZ LYS 26 2.499 11.504 11.504 1179 3HZ LYS 26 1HZ LYS 26 2.161 13.114 13.114 1180 H HIS 27 HN HIS 27 0.548 7.856 7.856 1181 HA HIS 27 HA HIS 27 -0.270 5.086 5.086 1182 1HB HIS 27 2HB HIS 27 -0.373 6.664 6.664 1183 2HB HIS 27 1HB HIS 27 0.568 5.196 5.196 1184 HD1 HIS 27 1HD HIS 27 -0.937 3.051 3.051 1185 HD2 HIS 27 2HD HIS 27 -2.866 6.178 6.178 1186 HE1 HIS 27 1HE HIS 27 -3.273 2.232 2.232 1187 H THR 28 HN THR 28 1.352 3.963 3.963 1188 HA THR 28 HA THR 28 4.100 4.580 4.580 1189 HB THR 28 HB THR 28 3.100 2.985 2.985 1190 HG1 THR 28 1HG THR 28 3.025 4.818 4.818 1191 1HG2 THR 28 3HG2 THR 28 5.402 2.393 2.393 1192 2HG2 THR 28 2HG2 THR 28 5.880 4.030 4.030 1193 3HG2 THR 28 1HG2 THR 28 5.293 2.911 2.911 1194 H TYR 29 HN TYR 29 4.892 3.349 3.349 1195 HA TYR 29 HA TYR 29 3.864 0.638 0.638 1196 1HB TYR 29 2HB TYR 29 5.809 2.054 2.054 1197 2HB TYR 29 1HB TYR 29 4.714 0.733 0.733 1198 HD1 TYR 29 1HD TYR 29 4.903 4.346 4.346 1199 HD2 TYR 29 2HD TYR 29 2.468 1.156 1.156 1200 HE1 TYR 29 1HE TYR 29 3.232 5.973 5.973 1201 HE2 TYR 29 2HE TYR 29 0.791 2.775 2.775 1202 HH TYR 29 HH TYR 29 0.444 4.985 4.985 1203 H HIS 30 HN HIS 30 4.941 -1.056 -1.056 1204 HA HIS 30 HA HIS 30 7.588 -0.746 -0.746 1205 1HB HIS 30 2HB HIS 30 6.058 -3.331 -3.331 1206 2HB HIS 30 1HB HIS 30 7.310 -2.928 -2.928 1207 HD1 HIS 30 1HD HIS 30 3.745 -3.208 -3.208 1208 HD2 HIS 30 2HD HIS 30 6.378 -0.700 -0.700 1209 HE1 HIS 30 1HE HIS 30 2.421 -2.143 -2.143 1210 H ILE 31 HN ILE 31 9.472 -1.351 -1.351 1211 HA ILE 31 HA ILE 31 9.393 -2.741 -2.741 1212 HB ILE 31 HB ILE 31 11.578 -0.900 -0.900 1213 1HG1 ILE 31 2HG1 ILE 31 9.532 0.392 0.392 1214 2HG1 ILE 31 1HG1 ILE 31 10.638 0.757 0.757 1215 1HG2 ILE 31 3HG2 ILE 31 12.233 -2.578 -2.578 1216 2HG2 ILE 31 2HG2 ILE 31 10.968 -1.985 -1.985 1217 3HG2 ILE 31 1HG2 ILE 31 12.317 -0.937 -0.937 1218 1HD1 ILE 31 1HD1 ILE 31 9.180 -1.251 -1.251 1219 2HD1 ILE 31 3HD1 ILE 31 7.984 -0.472 -0.472 1220 3HD1 ILE 31 2HD1 ILE 31 8.828 0.467 0.467 1221 H LYS 32 HN LYS 32 11.064 -4.258 -4.258 1222 HA LYS 32 HA LYS 32 12.295 -5.387 -5.387 1223 1HB LYS 32 2HB LYS 32 10.557 -6.792 -6.792 1224 2HB LYS 32 1HB LYS 32 11.601 -6.857 -6.857 1225 1HG LYS 32 2HG LYS 32 12.402 -8.728 -8.728 1226 2HG LYS 32 1HG LYS 32 13.288 -7.659 -7.659 1227 1HD LYS 32 2HD LYS 32 10.505 -8.636 -8.636 1228 2HD LYS 32 1HD LYS 32 11.948 -9.529 -9.529 1229 1HE LYS 32 2HE LYS 32 12.696 -7.317 -7.317 1230 2HE LYS 32 1HE LYS 32 11.012 -6.826 -6.826 1231 1HZ LYS 32 1HZ LYS 32 11.422 -9.431 -9.431 1232 2HZ LYS 32 3HZ LYS 32 11.977 -8.127 -8.127 1233 3HZ LYS 32 2HZ LYS 32 10.358 -8.192 -8.192 1234 H ILE 33 HN ILE 33 14.433 -5.480 -5.480 1235 HA ILE 33 HA ILE 33 15.998 -5.339 -5.339 1236 HB ILE 33 HB ILE 33 16.713 -3.849 -3.849 1237 1HG1 ILE 33 2HG1 ILE 33 15.800 -2.598 -2.598 1238 2HG1 ILE 33 1HG1 ILE 33 14.662 -3.015 -3.015 1239 1HG2 ILE 33 2HG2 ILE 33 18.032 -4.300 -4.300 1240 2HG2 ILE 33 1HG2 ILE 33 18.175 -2.692 -2.692 1241 3HG2 ILE 33 3HG2 ILE 33 18.732 -4.105 -4.105 1242 1HD1 ILE 33 1HD1 ILE 33 16.662 -1.593 -1.593 1243 2HD1 ILE 33 3HD1 ILE 33 16.416 -0.744 -0.744 1244 3HD1 ILE 33 2HD1 ILE 33 15.055 -1.012 -1.012 1245 H THR 34 HN THR 34 17.582 -6.815 -6.815 1246 HA THR 34 HA THR 34 18.661 -7.983 -7.983 1247 HB THR 34 HB THR 34 17.395 -9.560 -9.560 1248 HG1 THR 34 1HG THR 34 15.810 -9.509 -9.509 1249 1HG2 THR 34 2HG2 THR 34 19.487 -10.649 -10.649 1250 2HG2 THR 34 1HG2 THR 34 18.938 -10.648 -10.648 1251 3HG2 THR 34 3HG2 THR 34 18.064 -11.583 -11.583 1252 H ASN 35 HN ASN 35 20.647 -9.143 -9.143 1253 HA ASN 35 HA ASN 35 22.171 -8.098 -8.098 1254 1HB ASN 35 2HB ASN 35 22.868 -7.766 -7.766 1255 2HB ASN 35 1HB ASN 35 23.372 -9.453 -9.453 1256 1HD2 ASN 35 2HD2 ASN 35 26.332 -7.481 -7.481 1257 2HD2 ASN 35 1HD2 ASN 35 25.286 -7.764 -7.764 1258 H ALA 36 HN ALA 36 22.382 -9.426 -9.426 1259 HA ALA 36 HA ALA 36 22.223 -12.309 -12.309 1260 1HB ALA 36 2HB ALA 36 21.066 -10.841 -10.841 1261 2HB ALA 36 1HB ALA 36 22.599 -11.100 -11.100 1262 3HB ALA 36 3HB ALA 36 21.620 -12.481 -12.481 1263 H GLY 37 HN GLY 37 24.622 -10.540 -10.540 1264 1HA GLY 37 2HA GLY 37 26.616 -11.861 -11.861 1265 2HA GLY 37 1HA GLY 37 26.893 -10.385 -10.385 1266 H GLY 38 HN GLY 38 28.598 -10.993 -10.993 1267 1HA GLY 38 2HA GLY 38 28.025 -12.900 -12.900 1268 2HA GLY 38 1HA GLY 38 29.387 -13.286 -13.286 1269 H ARG 39 HN ARG 39 28.540 -9.998 -9.998 1270 HA ARG 39 HA ARG 39 30.465 -9.830 -9.830 1271 1HB ARG 39 2HB ARG 39 31.111 -9.004 -9.004 1272 2HB ARG 39 1HB ARG 39 31.466 -7.804 -7.804 1273 1HG ARG 39 2HG ARG 39 32.842 -9.420 -9.420 1274 2HG ARG 39 1HG ARG 39 32.470 -10.642 -10.642 1275 1HD ARG 39 2HD ARG 39 34.111 -9.901 -9.901 1276 2HD ARG 39 1HD ARG 39 33.416 -8.280 -8.280 1277 HE ARG 39 HE ARG 39 34.755 -8.599 -8.599 1278 1HH1 ARG 39 1HH2 ARG 39 35.507 -8.527 -8.527 1279 2HH1 ARG 39 2HH2 ARG 39 37.105 -7.901 -7.901 1280 1HH2 ARG 39 1HH1 ARG 39 36.860 -7.778 -7.778 1281 2HH2 ARG 39 2HH1 ARG 39 37.875 -7.477 -7.477 1282 H ARG 40 HN ARG 40 30.307 -7.913 -7.913 1283 HA ARG 40 HA ARG 40 27.804 -6.730 -6.730 1284 1HB ARG 40 2HB ARG 40 30.045 -6.687 -6.687 1285 2HB ARG 40 1HB ARG 40 30.067 -5.052 -5.052 1286 1HG ARG 40 2HG ARG 40 28.113 -4.460 -4.460 1287 2HG ARG 40 1HG ARG 40 27.555 -6.128 -6.128 1288 1HD ARG 40 2HD ARG 40 28.369 -4.948 -4.948 1289 2HD ARG 40 1HD ARG 40 28.952 -6.580 -6.580 1290 HE ARG 40 HE ARG 40 30.716 -4.612 -4.612 1291 1HH1 ARG 40 1HH2 ARG 40 29.749 -6.194 -6.194 1292 2HH1 ARG 40 2HH2 ARG 40 31.276 -5.954 -5.954 1293 1HH2 ARG 40 1HH1 ARG 40 32.731 -4.291 -4.291 1294 2HH2 ARG 40 2HH1 ARG 40 32.972 -4.874 -4.874 1295 H ILE 41 HN ILE 41 27.178 -4.478 -4.478 1296 HA ILE 41 HA ILE 41 28.677 -2.977 -2.977 1297 HB ILE 41 HB ILE 41 26.652 -2.789 -2.789 1298 1HG1 ILE 41 2HG1 ILE 41 25.822 -5.410 -5.410 1299 2HG1 ILE 41 1HG1 ILE 41 25.154 -3.879 -3.879 1300 1HG2 ILE 41 3HG2 ILE 41 28.778 -4.296 -4.296 1301 2HG2 ILE 41 2HG2 ILE 41 27.614 -5.606 -5.606 1302 3HG2 ILE 41 1HG2 ILE 41 27.421 -4.453 -4.453 1303 1HD1 ILE 41 2HD1 ILE 41 25.077 -4.568 -4.568 1304 2HD1 ILE 41 1HD1 ILE 41 23.901 -5.269 -5.269 1305 3HD1 ILE 41 3HD1 ILE 41 24.012 -3.518 -3.518 1306 H GLY 42 HN GLY 42 27.557 -0.914 -0.914 1307 1HA GLY 42 2HA GLY 42 25.877 0.026 0.026 1308 2HA GLY 42 1HA GLY 42 27.188 0.994 0.994 1309 H TRP 43 HN TRP 43 23.896 0.322 0.322 1310 HA TRP 43 HA TRP 43 23.650 1.453 1.453 1311 1HB TRP 43 2HB TRP 43 21.339 0.623 0.623 1312 2HB TRP 43 1HB TRP 43 22.498 -0.669 -0.669 1313 HD1 TRP 43 1HD TRP 43 22.738 -1.460 -1.460 1314 HE1 TRP 43 1HE TRP 43 20.936 -1.562 -1.562 1315 HE3 TRP 43 3HE TRP 43 19.277 1.670 1.670 1316 HZ2 TRP 43 2HZ TRP 43 18.384 -0.461 -0.461 1317 HZ3 TRP 43 3HZ TRP 43 17.182 2.092 2.092 1318 HH2 TRP 43 2HH TRP 43 16.746 1.047 1.047 1319 H ALA 44 HN ALA 44 21.903 2.960 2.960 1320 HA ALA 44 HA ALA 44 20.861 4.502 4.502 1321 1HB ALA 44 2HB ALA 44 23.093 5.472 5.472 1322 2HB ALA 44 1HB ALA 44 22.800 5.776 5.776 1323 3HB ALA 44 3HB ALA 44 21.854 6.626 6.626 1324 H ILE 45 HN ILE 45 19.187 5.945 5.945 1325 HA ILE 45 HA ILE 45 18.310 5.560 5.560 1326 HB ILE 45 HB ILE 45 16.444 5.898 5.898 1327 1HG1 ILE 45 2HG1 ILE 45 17.743 3.808 3.808 1328 2HG1 ILE 45 1HG1 ILE 45 16.043 3.493 3.493 1329 1HG2 ILE 45 3HG2 ILE 45 16.138 5.852 5.852 1330 2HG2 ILE 45 2HG2 ILE 45 15.228 4.535 4.535 1331 3HG2 ILE 45 1HG2 ILE 45 14.943 6.200 6.200 1332 1HD1 ILE 45 3HD1 ILE 45 17.698 3.637 3.637 1333 2HD1 ILE 45 2HD1 ILE 45 18.158 2.348 2.348 1334 3HD1 ILE 45 1HD1 ILE 45 16.509 2.432 2.432 1335 H LYS 46 HN LYS 46 17.525 7.291 7.291 1336 HA LYS 46 HA LYS 46 17.147 9.826 9.826 1337 1HB LYS 46 2HB LYS 46 18.539 11.040 11.040 1338 2HB LYS 46 1HB LYS 46 19.486 9.856 9.856 1339 1HG LYS 46 2HG LYS 46 19.491 8.361 8.361 1340 2HG LYS 46 1HG LYS 46 18.378 9.405 9.405 1341 1HD LYS 46 2HD LYS 46 21.110 10.280 10.280 1342 2HD LYS 46 1HD LYS 46 20.792 9.595 9.595 1343 1HE LYS 46 2HE LYS 46 19.066 11.415 11.415 1344 2HE LYS 46 1HE LYS 46 19.715 12.152 12.152 1345 1HZ LYS 46 1HZ LYS 46 21.950 11.815 11.815 1346 2HZ LYS 46 3HZ LYS 46 20.876 11.980 11.980 1347 3HZ LYS 46 2HZ LYS 46 21.000 13.206 13.206 1348 H THR 47 HN THR 47 15.445 10.931 10.931 1349 HA THR 47 HA THR 47 14.276 10.043 10.043 1350 HB THR 47 HB THR 47 12.097 10.766 10.766 1351 HG1 THR 47 1HG THR 47 12.038 11.885 11.885 1352 1HG2 THR 47 3HG2 THR 47 13.145 8.418 8.418 1353 2HG2 THR 47 2HG2 THR 47 13.223 8.972 8.972 1354 3HG2 THR 47 1HG2 THR 47 11.670 8.902 8.902 1355 H THR 48 HN THR 48 13.212 11.625 11.625 1356 HA THR 48 HA THR 48 14.683 13.958 13.958 1357 HB THR 48 HB THR 48 12.454 14.609 14.609 1358 HG1 THR 48 1HG THR 48 10.978 13.173 13.173 1359 1HG2 THR 48 1HG2 THR 48 14.494 12.565 12.565 1360 2HG2 THR 48 3HG2 THR 48 13.098 12.774 12.774 1361 3HG2 THR 48 2HG2 THR 48 14.171 14.136 14.136 1362 H ASN 49 HN ASN 49 11.727 13.396 13.396 1363 HA ASN 49 HA ASN 49 11.911 16.152 16.152 1364 1HB ASN 49 2HB ASN 49 9.534 14.595 14.595 1365 2HB ASN 49 1HB ASN 49 9.327 15.753 15.753 1366 1HD2 ASN 49 2HD2 ASN 49 8.633 18.031 18.031 1367 2HD2 ASN 49 1HD2 ASN 49 7.995 17.035 17.035 1368 H MET 50 HN MET 50 12.601 16.064 16.064 1369 HA MET 50 HA MET 50 11.839 13.783 13.783 1370 1HB MET 50 2HB MET 50 14.134 15.658 15.658 1371 2HB MET 50 1HB MET 50 13.607 15.119 15.119 1372 1HG MET 50 2HG MET 50 13.702 12.816 12.816 1373 2HG MET 50 1HG MET 50 15.151 13.735 13.735 1374 1HE MET 50 3HE MET 50 13.131 11.840 11.840 1375 2HE MET 50 2HE MET 50 14.356 10.809 10.809 1376 3HE MET 50 1HE MET 50 14.447 11.191 11.191 1377 H ARG 51 HN ARG 51 10.126 16.160 16.160 1378 HA ARG 51 HA ARG 51 9.790 17.360 17.360 1379 1HB ARG 51 2HB ARG 51 8.133 18.157 18.157 1380 2HB ARG 51 1HB ARG 51 8.696 19.134 19.134 1381 1HG ARG 51 2HG ARG 51 11.010 18.937 18.937 1382 2HG ARG 51 1HG ARG 51 10.277 18.197 18.197 1383 1HD ARG 51 2HD ARG 51 9.848 20.217 20.217 1384 2HD ARG 51 1HD ARG 51 8.819 20.551 20.551 1385 HE ARG 51 HE ARG 51 10.452 21.924 21.924 1386 1HH1 ARG 51 1HH2 ARG 51 11.878 19.727 19.727 1387 2HH1 ARG 51 2HH2 ARG 51 13.436 20.482 20.482 1388 1HH2 ARG 51 1HH1 ARG 51 12.499 22.928 22.928 1389 2HH2 ARG 51 2HH1 ARG 51 13.789 22.302 22.302 1390 H ARG 52 HN ARG 52 8.115 15.423 15.423 1391 HA ARG 52 HA ARG 52 5.891 15.045 15.045 1392 1HB ARG 52 2HB ARG 52 6.054 15.257 15.257 1393 2HB ARG 52 1HB ARG 52 5.077 13.902 13.902 1394 1HG ARG 52 2HG ARG 52 3.687 15.839 15.839 1395 2HG ARG 52 1HG ARG 52 3.741 15.441 15.441 1396 1HD ARG 52 2HD ARG 52 5.862 17.261 17.261 1397 2HD ARG 52 1HD ARG 52 4.308 17.907 17.907 1398 HE ARG 52 HE ARG 52 4.052 16.946 16.946 1399 1HH1 ARG 52 1HH2 ARG 52 5.601 19.513 19.513 1400 2HH1 ARG 52 2HH2 ARG 52 5.581 20.620 20.620 1401 1HH2 ARG 52 1HH1 ARG 52 4.017 18.393 18.393 1402 2HH2 ARG 52 2HH1 ARG 52 4.679 19.982 19.982 1403 H LEU 53 HN LEU 53 8.343 13.406 13.406 1404 HA LEU 53 HA LEU 53 7.403 10.795 10.795 1405 1HB LEU 53 2HB LEU 53 9.794 11.236 11.236 1406 2HB LEU 53 1HB LEU 53 8.768 9.820 9.820 1407 HG LEU 53 HG LEU 53 7.968 12.456 12.456 1408 1HD1 LEU 53 1HD1 LEU 53 8.833 9.831 9.831 1409 2HD1 LEU 53 3HD1 LEU 53 7.929 11.041 11.041 1410 3HD1 LEU 53 2HD1 LEU 53 9.524 11.431 11.431 1411 1HD2 LEU 53 2HD2 LEU 53 6.127 11.168 11.168 1412 2HD2 LEU 53 1HD2 LEU 53 5.942 11.370 11.370 1413 3HD2 LEU 53 3HD2 LEU 53 6.495 9.828 9.828 1414 H SER 54 HN SER 54 8.572 9.481 9.481 1415 HA SER 54 HA SER 54 11.153 10.446 10.446 1416 1HB SER 54 2HB SER 54 9.399 9.405 9.405 1417 2HB SER 54 1HB SER 54 10.497 10.785 10.785 1418 HG SER 54 HG SER 54 8.903 11.960 11.960 1419 H VAL 55 HN VAL 55 12.598 8.860 8.860 1420 HA VAL 55 HA VAL 55 11.617 6.086 6.086 1421 HB VAL 55 HB VAL 55 14.144 5.735 5.735 1422 1HG1 VAL 55 1HG1 VAL 55 11.650 6.178 6.178 1423 2HG1 VAL 55 3HG1 VAL 55 13.102 6.385 6.385 1424 3HG1 VAL 55 2HG1 VAL 55 12.823 4.867 4.867 1425 1HG2 VAL 55 2HG2 VAL 55 14.559 8.227 8.227 1426 2HG2 VAL 55 1HG2 VAL 55 15.078 7.468 7.468 1427 3HG2 VAL 55 3HG2 VAL 55 13.587 8.410 8.410 1428 H ASP 56 HN ASP 56 12.048 4.820 4.820 1429 HA ASP 56 HA ASP 56 14.360 5.382 5.382 1430 1HB ASP 56 2HB ASP 56 12.207 6.552 6.552 1431 2HB ASP 56 1HB ASP 56 11.708 4.931 4.931 1432 HA PRO 57 HA PRO 57 15.654 4.435 4.435 1433 1HB PRO 57 2HB PRO 57 17.784 2.816 2.816 1434 2HB PRO 57 1HB PRO 57 16.687 2.620 2.620 1435 1HG PRO 57 2HG PRO 57 16.753 1.134 1.134 1436 2HG PRO 57 1HG PRO 57 16.540 0.503 0.503 1437 1HD PRO 57 2HD PRO 57 14.463 0.896 0.896 1438 2HD PRO 57 1HD PRO 57 14.308 1.071 1.071 1439 HA PRO 58 HA PRO 58 16.680 6.288 6.288 1440 1HB PRO 58 2HB PRO 58 18.851 7.547 7.547 1441 2HB PRO 58 1HB PRO 58 17.634 8.301 8.301 1442 1HG PRO 58 2HG PRO 58 17.431 8.433 8.433 1443 2HG PRO 58 1HG PRO 58 15.994 8.211 8.211 1444 1HD PRO 58 2HD PRO 58 17.477 6.211 6.211 1445 2HD PRO 58 1HD PRO 58 15.731 6.371 6.371 1446 H CYS 59 HN CYS 59 19.354 5.270 5.270 1447 HA CYS 59 HA CYS 59 20.538 3.811 3.811 1448 1HB CYS 59 2HB CYS 59 22.742 4.779 4.779 1449 2HB CYS 59 1HB CYS 59 21.586 6.054 6.054 1450 HG CYS 59 HG CYS 59 22.921 5.611 5.611 1451 H GLY 60 HN GLY 60 21.950 2.131 2.131 1452 1HA GLY 60 2HA GLY 60 22.504 1.692 1.692 1453 2HA GLY 60 1HA GLY 60 21.286 0.610 0.610 1454 H VAL 61 HN VAL 61 23.068 -0.896 -0.896 1455 HA VAL 61 HA VAL 61 24.940 -1.392 -1.392 1456 HB VAL 61 HB VAL 61 25.471 -2.213 -2.213 1457 1HG1 VAL 61 1HG1 VAL 61 26.622 -3.183 -3.183 1458 2HG1 VAL 61 3HG1 VAL 61 27.556 -1.691 -1.691 1459 3HG1 VAL 61 2HG1 VAL 61 27.565 -2.822 -2.822 1460 1HG2 VAL 61 1HG2 VAL 61 25.725 0.429 0.429 1461 2HG2 VAL 61 3HG2 VAL 61 25.708 -0.032 -0.032 1462 3HG2 VAL 61 2HG2 VAL 61 27.200 -0.155 -0.155 1463 H LEU 62 HN LEU 62 24.314 -3.129 -3.129 1464 HA LEU 62 HA LEU 62 22.688 -5.172 -5.172 1465 1HB LEU 62 2HB LEU 62 23.193 -4.249 -4.249 1466 2HB LEU 62 1HB LEU 62 23.229 -5.998 -5.998 1467 HG LEU 62 HG LEU 62 20.937 -4.528 -4.528 1468 1HD1 LEU 62 3HD1 LEU 62 21.614 -4.006 -4.006 1469 2HD1 LEU 62 2HD1 LEU 62 20.492 -5.355 -5.355 1470 3HD1 LEU 62 1HD1 LEU 62 19.992 -3.888 -3.888 1471 1HD2 LEU 62 1HD2 LEU 62 21.634 -7.249 -7.249 1472 2HD2 LEU 62 3HD2 LEU 62 20.449 -6.675 -6.675 1473 3HD2 LEU 62 2HD2 LEU 62 20.030 -6.752 -6.752 1474 H ASP 63 HN ASP 63 23.186 -7.473 -7.473 1475 HA ASP 63 HA ASP 63 26.088 -7.984 -7.984 1476 1HB ASP 63 2HB ASP 63 24.137 -8.489 -8.489 1477 2HB ASP 63 1HB ASP 63 24.697 -10.041 -10.041 1478 HA PRO 64 HA PRO 64 25.766 -11.269 -11.269 1479 1HB PRO 64 2HB PRO 64 26.332 -13.397 -13.397 1480 2HB PRO 64 1HB PRO 64 27.234 -12.937 -12.937 1481 1HG PRO 64 2HG PRO 64 28.157 -12.374 -12.374 1482 2HG PRO 64 1HG PRO 64 28.386 -11.254 -11.254 1483 1HD PRO 64 2HD PRO 64 26.421 -11.129 -11.129 1484 2HD PRO 64 1HD PRO 64 27.347 -9.819 -9.819 1485 H LYS 65 HN LYS 65 23.702 -11.559 -11.559 1486 HA LYS 65 HA LYS 65 21.655 -12.525 -12.525 1487 1HB LYS 65 2HB LYS 65 23.284 -14.564 -14.564 1488 2HB LYS 65 1HB LYS 65 22.045 -14.612 -14.612 1489 1HG LYS 65 2HG LYS 65 20.518 -14.413 -14.413 1490 2HG LYS 65 1HG LYS 65 21.898 -15.325 -15.325 1491 1HD LYS 65 2HD LYS 65 21.574 -16.766 -16.766 1492 2HD LYS 65 1HD LYS 65 19.960 -16.050 -16.050 1493 1HE LYS 65 2HE LYS 65 19.393 -16.983 -16.983 1494 2HE LYS 65 1HE LYS 65 21.071 -17.370 -17.370 1495 1HZ LYS 65 3HZ LYS 65 20.303 -18.649 -18.649 1496 2HZ LYS 65 2HZ LYS 65 19.184 -19.018 -19.018 1497 3HZ LYS 65 1HZ LYS 65 20.827 -19.342 -19.342 1498 H GLU 66 HN GLU 66 22.035 -10.454 -10.454 1499 HA GLU 66 HA GLU 66 20.239 -11.203 -11.203 1500 1HB GLU 66 2HB GLU 66 22.350 -9.237 -9.237 1501 2HB GLU 66 1HB GLU 66 20.889 -8.511 -8.511 1502 1HG GLU 66 2HG GLU 66 21.152 -10.803 -10.803 1503 2HG GLU 66 1HG GLU 66 22.821 -10.288 -10.288 1504 H LYS 67 HN LYS 67 18.338 -10.031 -10.031 1505 HA LYS 67 HA LYS 67 17.140 -8.767 -8.767 1506 1HB LYS 67 2HB LYS 67 15.983 -10.319 -10.319 1507 2HB LYS 67 1HB LYS 67 14.971 -9.246 -9.246 1508 1HG LYS 67 2HG LYS 67 16.335 -10.758 -10.758 1509 2HG LYS 67 1HG LYS 67 15.934 -11.901 -11.901 1510 1HD LYS 67 2HD LYS 67 13.577 -10.828 -10.828 1511 2HD LYS 67 1HD LYS 67 14.106 -10.246 -10.246 1512 1HE LYS 67 2HE LYS 67 14.036 -13.122 -13.122 1513 2HE LYS 67 1HE LYS 67 12.900 -12.356 -12.356 1514 1HZ LYS 67 2HZ LYS 67 15.660 -12.079 -12.079 1515 2HZ LYS 67 1HZ LYS 67 15.127 -13.684 -13.684 1516 3HZ LYS 67 3HZ LYS 67 14.319 -12.548 -12.548 1517 H VAL 68 HN VAL 68 15.716 -6.955 -6.955 1518 HA VAL 68 HA VAL 68 15.937 -5.505 -5.505 1519 HB VAL 68 HB VAL 68 16.859 -4.281 -4.281 1520 1HG1 VAL 68 2HG1 VAL 68 16.353 -3.165 -3.165 1521 2HG1 VAL 68 1HG1 VAL 68 17.579 -2.444 -2.444 1522 3HG1 VAL 68 3HG1 VAL 68 15.899 -2.518 -2.518 1523 1HG2 VAL 68 3HG2 VAL 68 18.382 -5.141 -5.141 1524 2HG2 VAL 68 2HG2 VAL 68 18.560 -5.753 -5.753 1525 3HG2 VAL 68 1HG2 VAL 68 19.050 -4.103 -4.103 1526 H LEU 69 HN LEU 69 14.340 -3.947 -3.947 1527 HA LEU 69 HA LEU 69 12.187 -3.983 -3.983 1528 1HB LEU 69 2HB LEU 69 12.193 -4.393 -4.393 1529 2HB LEU 69 1HB LEU 69 11.133 -3.064 -3.064 1530 HG LEU 69 HG LEU 69 10.971 -5.895 -5.895 1531 1HD1 LEU 69 2HD1 LEU 69 10.161 -5.219 -5.219 1532 2HD1 LEU 69 1HD1 LEU 69 8.839 -4.438 -4.438 1533 3HD1 LEU 69 3HD1 LEU 69 9.104 -6.173 -6.173 1534 1HD2 LEU 69 1HD2 LEU 69 9.898 -3.382 -3.382 1535 2HD2 LEU 69 3HD2 LEU 69 10.049 -4.958 -4.958 1536 3HD2 LEU 69 2HD2 LEU 69 8.673 -4.622 -4.622 1537 H MET 70 HN MET 70 11.411 -2.094 -2.094 1538 HA MET 70 HA MET 70 12.473 0.394 0.394 1539 1HB MET 70 2HB MET 70 13.049 -0.643 -0.643 1540 2HB MET 70 1HB MET 70 11.871 0.629 0.629 1541 1HG MET 70 2HG MET 70 13.544 1.870 1.870 1542 2HG MET 70 1HG MET 70 14.661 0.800 0.800 1543 1HE MET 70 1HE MET 70 13.622 0.318 0.318 1544 2HE MET 70 3HE MET 70 12.375 1.415 1.415 1545 3HE MET 70 2HE MET 70 14.041 1.591 1.591 1546 H ALA 71 HN ALA 71 11.188 2.300 2.300 1547 HA ALA 71 HA ALA 71 8.356 1.763 1.763 1548 1HB ALA 71 1HB ALA 71 8.738 1.806 1.806 1549 2HB ALA 71 3HB ALA 71 9.314 3.465 3.465 1550 3HB ALA 71 2HB ALA 71 7.645 3.068 3.068 1551 H VAL 72 HN VAL 72 7.601 3.083 3.083 1552 HA VAL 72 HA VAL 72 9.014 5.620 5.620 1553 HB VAL 72 HB VAL 72 7.177 4.288 4.288 1554 1HG1 VAL 72 3HG1 VAL 72 8.281 6.748 6.748 1555 2HG1 VAL 72 2HG1 VAL 72 9.541 5.825 5.825 1556 3HG1 VAL 72 1HG1 VAL 72 7.897 5.828 5.828 1557 1HG2 VAL 72 2HG2 VAL 72 10.025 3.645 3.645 1558 2HG2 VAL 72 1HG2 VAL 72 8.688 2.559 2.559 1559 3HG2 VAL 72 3HG2 VAL 72 9.442 3.511 3.511 1560 H SER 73 HN SER 73 7.818 6.778 6.778 1561 HA SER 73 HA SER 73 5.011 6.881 6.881 1562 1HB SER 73 2HB SER 73 7.258 8.396 8.396 1563 2HB SER 73 1HB SER 73 5.792 9.351 9.351 1564 HG SER 73 HG SER 73 4.670 7.856 7.856 1565 H CYS 74 HN CYS 74 3.527 7.952 7.952 1566 HA CYS 74 HA CYS 74 4.462 9.939 9.939 1567 1HB CYS 74 2HB CYS 74 3.757 7.696 7.696 1568 2HB CYS 74 1HB CYS 74 2.125 8.077 8.077 1569 HG CYS 74 HG CYS 74 3.621 9.508 9.508 1570 H ASP 75 HN ASP 75 3.956 11.648 11.648 1571 HA ASP 75 HA ASP 75 1.657 12.055 12.055 1572 1HB ASP 75 2HB ASP 75 3.527 13.947 13.947 1573 2HB ASP 75 1HB ASP 75 2.102 14.562 14.562 1574 H THR 76 HN THR 76 -0.309 13.128 13.128 1575 HA THR 76 HA THR 76 -1.576 12.500 12.500 1576 HB THR 76 HB THR 76 -3.512 13.393 13.393 1577 HG1 THR 76 1HG THR 76 -3.570 15.127 15.127 1578 1HG2 THR 76 1HG2 THR 76 -2.147 11.734 11.734 1579 2HG2 THR 76 3HG2 THR 76 -2.208 13.133 13.133 1580 3HG2 THR 76 2HG2 THR 76 -3.703 12.422 12.422 1581 H PHE 77 HN PHE 77 -1.970 13.651 13.651 1582 HA PHE 77 HA PHE 77 -1.371 16.504 16.504 1583 1HB PHE 77 2HB PHE 77 0.149 16.359 16.359 1584 2HB PHE 77 1HB PHE 77 0.733 15.266 15.266 1585 HD1 PHE 77 2HD PHE 77 0.226 12.800 12.800 1586 HD2 PHE 77 1HD PHE 77 -0.308 15.583 15.583 1587 HE1 PHE 77 2HE PHE 77 0.251 10.949 10.949 1588 HE2 PHE 77 1HE PHE 77 -0.285 13.739 13.739 1589 HZ PHE 77 HZ PHE 77 -0.006 11.418 11.418 1590 H ASN 78 HN ASN 78 -1.498 16.850 16.850 1591 HA ASN 78 HA ASN 78 -4.169 15.812 15.812 1592 1HB ASN 78 2HB ASN 78 -3.209 18.606 18.606 1593 2HB ASN 78 1HB ASN 78 -4.182 18.213 18.213 1594 1HD2 ASN 78 2HD2 ASN 78 -6.189 19.299 19.299 1595 2HD2 ASN 78 1HD2 ASN 78 -4.699 19.889 19.889 1596 H ALA 79 HN ALA 79 -4.369 14.963 14.963 1597 HA ALA 79 HA ALA 79 -2.049 15.099 15.099 1598 1HB ALA 79 2HB ALA 79 -3.433 12.950 12.950 1599 2HB ALA 79 1HB ALA 79 -4.282 13.298 13.298 1600 3HB ALA 79 3HB ALA 79 -2.542 13.009 13.009 1601 H ALA 80 HN ALA 80 -4.286 17.162 17.162 1602 HA ALA 80 HA ALA 80 -5.188 17.202 17.202 1603 1HB ALA 80 1HB ALA 80 -6.661 17.479 17.479 1604 2HB ALA 80 3HB ALA 80 -6.543 19.109 19.109 1605 3HB ALA 80 2HB ALA 80 -7.210 17.802 17.802 1606 H THR 81 HN THR 81 -3.741 19.111 19.111 1607 HA THR 81 HA THR 81 -2.704 20.951 20.951 1608 HB THR 81 HB THR 81 -3.177 22.878 22.878 1609 HG1 THR 81 1HG THR 81 -4.007 22.623 22.623 1610 1HG2 THR 81 2HG2 THR 81 -4.812 22.154 22.154 1611 2HG2 THR 81 1HG2 THR 81 -5.729 21.372 21.372 1612 3HG2 THR 81 3HG2 THR 81 -5.480 23.118 23.118 1613 H GLU 82 HN GLU 82 -1.614 18.720 18.720 1614 HA GLU 82 HA GLU 82 0.825 20.027 20.027 1615 1HB GLU 82 2HB GLU 82 -0.947 18.799 18.799 1616 2HB GLU 82 1HB GLU 82 0.771 19.086 19.086 1617 1HG GLU 82 2HG GLU 82 0.240 21.518 21.518 1618 2HG GLU 82 1HG GLU 82 -1.440 21.075 21.075 1619 H ASP 83 HN ASP 83 2.491 18.457 18.457 1620 HA ASP 83 HA ASP 83 3.678 16.543 16.543 1621 1HB ASP 83 2HB ASP 83 1.404 15.787 15.787 1622 2HB ASP 83 1HB ASP 83 1.367 14.735 14.735 1623 H LEU 84 HN LEU 84 3.958 14.672 14.672 1624 HA LEU 84 HA LEU 84 3.845 13.607 13.607 1625 1HB LEU 84 2HB LEU 84 1.784 15.606 15.606 1626 2HB LEU 84 1HB LEU 84 2.144 14.036 14.036 1627 HG LEU 84 HG LEU 84 1.123 14.207 14.207 1628 1HD1 LEU 84 3HD1 LEU 84 -0.462 14.557 14.557 1629 2HD1 LEU 84 2HD1 LEU 84 -1.176 13.857 13.857 1630 3HD1 LEU 84 1HD1 LEU 84 -0.527 15.497 15.497 1631 1HD2 LEU 84 2HD2 LEU 84 1.994 12.129 12.129 1632 2HD2 LEU 84 1HD2 LEU 84 0.690 11.996 11.996 1633 3HD2 LEU 84 3HD2 LEU 84 0.314 12.140 12.140 1634 H ASN 85 HN ASN 85 5.855 15.144 15.144 1635 HA ASN 85 HA ASN 85 6.265 16.696 16.696 1636 1HB ASN 85 2HB ASN 85 7.948 18.028 18.028 1637 2HB ASN 85 1HB ASN 85 6.235 18.363 18.363 1638 1HD2 ASN 85 2HD2 ASN 85 6.080 17.081 17.081 1639 2HD2 ASN 85 1HD2 ASN 85 5.178 17.457 17.457 1640 H ASN 86 HN ASN 86 6.761 13.887 13.887 1641 HA ASN 86 HA ASN 86 8.323 12.363 12.363 1642 1HB ASN 86 2HB ASN 86 10.452 14.486 14.486 1643 2HB ASN 86 1HB ASN 86 10.390 12.965 12.965 1644 1HD2 ASN 86 2HD2 ASN 86 9.298 16.182 16.182 1645 2HD2 ASN 86 1HD2 ASN 86 10.418 16.045 16.045 1646 H ASP 87 HN ASP 87 8.309 11.265 11.265 1647 HA ASP 87 HA ASP 87 10.333 12.008 12.008 1648 1HB ASP 87 2HB ASP 87 7.527 11.019 11.019 1649 2HB ASP 87 1HB ASP 87 8.735 10.607 10.607 1650 H ARG 88 HN ARG 88 11.698 10.435 10.435 1651 HA ARG 88 HA ARG 88 11.220 7.650 7.650 1652 1HB ARG 88 2HB ARG 88 13.392 7.466 7.466 1653 2HB ARG 88 1HB ARG 88 11.902 7.942 7.942 1654 1HG ARG 88 2HG ARG 88 12.580 10.142 10.142 1655 2HG ARG 88 1HG ARG 88 13.776 10.020 10.020 1656 1HD ARG 88 2HD ARG 88 15.354 9.497 9.497 1657 2HD ARG 88 1HD ARG 88 14.408 8.119 8.119 1658 HE ARG 88 HE ARG 88 13.383 10.462 10.462 1659 1HH1 ARG 88 1HH2 ARG 88 16.211 8.432 8.432 1660 2HH1 ARG 88 2HH2 ARG 88 16.584 8.826 8.826 1661 1HH2 ARG 88 1HH1 ARG 88 13.865 10.987 10.987 1662 2HH2 ARG 88 2HH1 ARG 88 15.250 10.280 10.280 1663 H ILE 89 HN ILE 89 12.314 6.460 6.460 1664 HA ILE 89 HA ILE 89 14.090 7.817 7.817 1665 HB ILE 89 HB ILE 89 13.409 4.885 4.885 1666 1HG1 ILE 89 2HG1 ILE 89 11.772 7.178 7.178 1667 2HG1 ILE 89 1HG1 ILE 89 11.307 6.133 6.133 1668 1HG2 ILE 89 2HG2 ILE 89 14.566 6.866 6.866 1669 2HG2 ILE 89 1HG2 ILE 89 13.462 5.678 5.678 1670 3HG2 ILE 89 3HG2 ILE 89 14.899 5.144 5.144 1671 1HD1 ILE 89 3HD1 ILE 89 11.963 4.644 4.644 1672 2HD1 ILE 89 2HD1 ILE 89 10.641 5.788 5.788 1673 3HD1 ILE 89 1HD1 ILE 89 10.536 4.566 4.566 1674 H THR 90 HN THR 90 16.138 6.672 6.672 1675 HA THR 90 HA THR 90 17.434 5.219 5.219 1676 HB THR 90 HB THR 90 18.872 7.494 7.494 1677 HG1 THR 90 1HG THR 90 17.126 7.582 7.582 1678 1HG2 THR 90 3HG2 THR 90 20.039 5.692 5.692 1679 2HG2 THR 90 2HG2 THR 90 19.290 6.510 6.510 1680 3HG2 THR 90 1HG2 THR 90 20.396 7.390 7.390 1681 H ILE 91 HN ILE 91 18.242 3.421 3.421 1682 HA ILE 91 HA ILE 91 19.133 3.425 3.425 1683 HB ILE 91 HB ILE 91 18.468 1.003 1.003 1684 1HG1 ILE 91 2HG1 ILE 91 16.373 1.054 1.054 1685 2HG1 ILE 91 1HG1 ILE 91 16.726 2.775 2.775 1686 1HG2 ILE 91 2HG2 ILE 91 19.626 1.389 1.389 1687 2HG2 ILE 91 1HG2 ILE 91 18.063 0.591 0.591 1688 3HG2 ILE 91 3HG2 ILE 91 19.302 -0.118 -0.118 1689 1HD1 ILE 91 1HD1 ILE 91 16.692 1.733 1.733 1690 2HD1 ILE 91 3HD1 ILE 91 15.149 1.639 1.639 1691 3HD1 ILE 91 2HD1 ILE 91 15.966 3.191 3.191 1692 H GLU 92 HN GLU 92 21.266 3.861 3.861 1693 HA GLU 92 HA GLU 92 22.986 2.321 2.321 1694 1HB GLU 92 2HB GLU 92 23.949 4.792 4.792 1695 2HB GLU 92 1HB GLU 92 24.469 4.096 4.096 1696 1HG GLU 92 2HG GLU 92 22.564 4.918 4.918 1697 2HG GLU 92 1HG GLU 92 21.763 5.340 5.340 1698 H TRP 93 HN TRP 93 24.696 1.175 1.175 1699 HA TRP 93 HA TRP 93 25.385 1.429 1.429 1700 1HB TRP 93 2HB TRP 93 24.958 -0.865 -0.865 1701 2HB TRP 93 1HB TRP 93 23.474 -0.185 -0.185 1702 HD1 TRP 93 1HD TRP 93 25.764 -3.076 -3.076 1703 HE1 TRP 93 1HE TRP 93 25.118 -4.454 -4.454 1704 HE3 TRP 93 3HE TRP 93 22.545 0.231 0.231 1705 HZ2 TRP 93 2HZ TRP 93 23.466 -4.177 -4.177 1706 HZ3 TRP 93 3HZ TRP 93 21.476 -0.402 -0.402 1707 HH2 TRP 93 2HH TRP 93 21.928 -2.561 -2.561 1708 H THR 94 HN THR 94 27.444 0.770 0.770 1709 HA THR 94 HA THR 94 28.973 -0.522 -0.522 1710 HB THR 94 HB THR 94 29.505 1.809 1.809 1711 HG1 THR 94 1HG THR 94 31.286 0.336 0.336 1712 1HG2 THR 94 1HG2 THR 94 28.987 2.008 2.008 1713 2HG2 THR 94 3HG2 THR 94 30.729 2.255 2.255 1714 3HG2 THR 94 2HG2 THR 94 29.629 3.276 3.276 1715 H ASN 95 HN ASN 95 30.696 -1.818 -1.818 1716 HA ASN 95 HA ASN 95 30.403 -3.268 -3.268 1717 1HB ASN 95 2HB ASN 95 32.140 -3.295 -3.295 1718 2HB ASN 95 1HB ASN 95 33.184 -3.207 -3.207 1719 1HD2 ASN 95 2HD2 ASN 95 31.842 -6.702 -6.702 1720 2HD2 ASN 95 1HD2 ASN 95 32.086 -5.318 -5.318 1721 H THR 96 HN THR 96 31.177 -3.149 -3.149 1722 HA THR 96 HA THR 96 32.173 -0.584 -0.584 1723 HB THR 96 HB THR 96 32.129 -1.851 -1.851 1724 HG1 THR 96 1HG THR 96 31.908 -3.922 -3.922 1725 1HG2 THR 96 1HG2 THR 96 30.336 -0.258 -0.258 1726 2HG2 THR 96 3HG2 THR 96 29.402 -1.753 -1.753 1727 3HG2 THR 96 2HG2 THR 96 30.011 -1.146 -1.146 1728 HA PRO 97 HA PRO 97 36.507 -1.437 -1.437 1729 1HB PRO 97 2HB PRO 97 36.539 -0.052 -0.052 1730 2HB PRO 97 1HB PRO 97 37.469 0.288 0.288 1731 1HG PRO 97 2HG PRO 97 35.434 1.853 1.853 1732 2HG PRO 97 1HG PRO 97 35.735 1.469 1.469 1733 1HD PRO 97 2HD PRO 97 33.666 0.373 0.373 1734 2HD PRO 97 1HD PRO 97 33.543 0.758 0.758 1735 H ASP 98 HN ASP 98 38.144 -2.588 -2.588 1736 HA ASP 98 HA ASP 98 37.327 -4.943 -4.943 1737 1HB ASP 98 2HB ASP 98 39.748 -3.868 -3.868 1738 2HB ASP 98 1HB ASP 98 39.906 -3.982 -3.982 1739 H GLY 99 HN GLY 99 36.397 -5.404 -5.404 1740 1HA GLY 99 2HA GLY 99 35.628 -5.188 -5.188 1741 2HA GLY 99 1HA GLY 99 37.245 -4.598 -4.598 1742 H ALA 100 HN ALA 100 34.736 -3.143 -3.143 1743 HA ALA 100 HA ALA 100 35.147 -0.553 -0.553 1744 1HB ALA 100 3HB ALA 100 33.923 -1.509 -1.509 1745 2HB ALA 100 2HB ALA 100 32.514 -1.146 -1.146 1746 3HB ALA 100 1HB ALA 100 33.676 0.125 0.125 1747 H ALA 101 HN ALA 101 33.543 0.785 0.785 1748 HA ALA 101 HA ALA 101 32.640 -0.484 -0.484 1749 1HB ALA 101 3HB ALA 101 33.519 1.789 1.789 1750 2HB ALA 101 2HB ALA 101 32.184 2.326 2.326 1751 3HB ALA 101 1HB ALA 101 31.864 1.741 1.741 1752 H LYS 102 HN LYS 102 30.444 -0.170 -0.170 1753 HA LYS 102 HA LYS 102 28.512 -1.022 -1.022 1754 1HB LYS 102 2HB LYS 102 27.035 -1.387 -1.387 1755 2HB LYS 102 1HB LYS 102 28.514 -2.337 -2.337 1756 1HG LYS 102 2HG LYS 102 29.448 -1.187 -1.187 1757 2HG LYS 102 1HG LYS 102 28.514 0.276 0.276 1758 1HD LYS 102 2HD LYS 102 26.474 -1.184 -1.184 1759 2HD LYS 102 1HD LYS 102 27.681 -2.233 -2.233 1760 1HE LYS 102 2HE LYS 102 28.187 0.504 0.504 1761 2HE LYS 102 1HE LYS 102 26.515 0.087 0.087 1762 1HZ LYS 102 1HZ LYS 102 28.566 -1.830 -1.830 1763 2HZ LYS 102 3HZ LYS 102 28.495 -0.385 -0.385 1764 3HZ LYS 102 2HZ LYS 102 27.137 -1.388 -1.388 1765 H GLN 103 HN GLN 103 28.660 1.166 1.166 1766 HA GLN 103 HA GLN 103 26.316 2.625 2.625 1767 1HB GLN 103 2HB GLN 103 28.632 3.405 3.405 1768 2HB GLN 103 1HB GLN 103 28.185 4.701 4.701 1769 1HG GLN 103 2HG GLN 103 25.903 3.547 3.547 1770 2HG GLN 103 1HG GLN 103 27.105 4.242 4.242 1771 1HE2 GLN 103 2HE2 GLN 103 25.163 7.140 7.140 1772 2HE2 GLN 103 1HE2 GLN 103 25.396 5.763 5.763 1773 H PHE 104 HN PHE 104 25.728 3.761 3.761 1774 HA PHE 104 HA PHE 104 27.130 3.496 3.496 1775 1HB PHE 104 2HB PHE 104 24.733 3.869 3.869 1776 2HB PHE 104 1HB PHE 104 24.953 5.453 5.453 1777 HD1 PHE 104 1HD PHE 104 25.910 3.524 3.524 1778 HD2 PHE 104 2HD PHE 104 25.004 7.321 7.321 1779 HE1 PHE 104 1HE PHE 104 26.021 4.543 4.543 1780 HE2 PHE 104 2HE PHE 104 25.113 8.348 8.348 1781 HZ PHE 104 HZ PHE 104 25.623 6.958 6.958 1782 H ARG 105 HN ARG 105 28.367 4.900 4.900 1783 HA ARG 105 HA ARG 105 29.335 7.312 7.312 1784 1HB ARG 105 2HB ARG 105 30.851 5.097 5.097 1785 2HB ARG 105 1HB ARG 105 31.502 6.727 6.727 1786 1HG ARG 105 2HG ARG 105 30.692 6.114 6.114 1787 2HG ARG 105 1HG ARG 105 31.835 4.919 4.919 1788 1HD ARG 105 2HD ARG 105 33.495 6.511 6.511 1789 2HD ARG 105 1HD ARG 105 32.346 7.848 7.848 1790 HE ARG 105 HE ARG 105 32.194 6.811 6.811 1791 1HH1 ARG 105 1HH2 ARG 105 34.759 8.040 8.040 1792 2HH1 ARG 105 2HH2 ARG 105 35.704 8.614 8.614 1793 1HH2 ARG 105 1HH1 ARG 105 33.432 7.561 7.561 1794 2HH2 ARG 105 2HH1 ARG 105 34.950 8.340 8.340 1795 H ARG 106 HN ARG 106 29.991 9.058 9.058 1796 HA ARG 106 HA ARG 106 28.426 9.280 9.280 1797 1HB ARG 106 2HB ARG 106 28.742 11.118 11.118 1798 2HB ARG 106 1HB ARG 106 30.377 11.303 11.303 1799 1HG ARG 106 2HG ARG 106 28.948 11.445 11.445 1800 2HG ARG 106 1HG ARG 106 27.812 12.151 12.151 1801 1HD ARG 106 2HD ARG 106 30.651 13.026 13.026 1802 2HD ARG 106 1HD ARG 106 29.184 13.892 13.892 1803 HE ARG 106 HE ARG 106 29.232 13.432 13.432 1804 1HH1 ARG 106 1HH2 ARG 106 30.714 15.382 15.382 1805 2HH1 ARG 106 2HH2 ARG 106 31.059 16.703 16.703 1806 1HH2 ARG 106 1HH1 ARG 106 29.681 15.166 15.166 1807 2HH2 ARG 106 2HH1 ARG 106 30.472 16.581 16.581 1808 H GLU 107 HN GLU 107 31.875 9.304 9.304 1809 HA GLU 107 HA GLU 107 32.787 9.697 9.697 1810 1HB GLU 107 2HB GLU 107 33.943 9.436 9.436 1811 2HB GLU 107 1HB GLU 107 34.744 8.288 8.288 1812 1HG GLU 107 2HG GLU 107 35.270 10.078 10.078 1813 2HG GLU 107 1HG GLU 107 34.436 11.236 11.236 1814 H TRP 108 HN TRP 108 31.446 6.973 6.973 1815 HA TRP 108 HA TRP 108 32.828 4.829 4.829 1816 1HB TRP 108 2HB TRP 108 30.021 5.301 5.301 1817 2HB TRP 108 1HB TRP 108 30.313 3.879 3.879 1818 HD1 TRP 108 1HD TRP 108 33.322 4.392 4.392 1819 HE1 TRP 108 1HE TRP 108 33.329 2.866 2.866 1820 HE3 TRP 108 3HE TRP 108 28.426 2.924 2.924 1821 HZ2 TRP 108 2HZ TRP 108 31.501 1.253 1.253 1822 HZ3 TRP 108 3HZ TRP 108 27.635 1.387 1.387 1823 HH2 TRP 108 2HH TRP 108 29.143 0.569 0.569 1824 H PHE 109 HN PHE 109 30.853 7.136 7.136 1825 HA PHE 109 HA PHE 109 30.790 5.485 5.485 1826 1HB PHE 109 2HB PHE 109 29.325 7.972 7.972 1827 2HB PHE 109 1HB PHE 109 29.368 7.472 7.472 1828 HD1 PHE 109 2HD PHE 109 29.037 4.663 4.663 1829 HD2 PHE 109 1HD PHE 109 27.281 7.518 7.518 1830 HE1 PHE 109 2HE PHE 109 27.160 3.127 3.127 1831 HE2 PHE 109 1HE PHE 109 25.399 5.986 5.986 1832 HZ PHE 109 HZ PHE 109 25.337 3.787 3.787 1833 H GLN 110 HN GLN 110 32.278 8.301 8.301 1834 HA GLN 110 HA GLN 110 33.409 9.110 9.110 1835 1HB GLN 110 2HB GLN 110 33.596 10.336 10.336 1836 2HB GLN 110 1HB GLN 110 34.387 10.991 10.991 1837 1HG GLN 110 2HG GLN 110 32.257 11.390 11.390 1838 2HG GLN 110 1HG GLN 110 31.415 10.615 10.615 1839 1HE2 GLN 110 2HE2 GLN 110 31.767 14.458 14.458 1840 2HE2 GLN 110 1HE2 GLN 110 31.617 13.440 13.440 1841 H GLY 111 HN GLY 111 34.130 6.584 6.584 1842 1HA GLY 111 2HA GLY 111 37.043 7.035 7.035 1843 2HA GLY 111 1HA GLY 111 36.283 6.123 6.123 1844 H ASP 112 HN ASP 112 34.915 4.265 4.265 1845 HA ASP 112 HA ASP 112 36.524 2.519 2.519 1846 1HB ASP 112 2HB ASP 112 33.787 2.249 2.249 1847 2HB ASP 112 1HB ASP 112 34.510 0.962 0.962 1848 H GLY 113 HN GLY 113 36.646 2.625 2.625 1849 1HA GLY 113 2HA GLY 113 35.091 4.041 4.041 1850 2HA GLY 113 1HA GLY 113 35.975 2.596 2.596 1851 H MET 114 HN MET 114 34.861 0.512 0.512 1852 HA MET 114 HA MET 114 32.545 0.215 0.215 1853 1HB MET 114 2HB MET 114 33.432 -1.430 -1.430 1854 2HB MET 114 1HB MET 114 32.218 -1.928 -1.928 1855 1HG MET 114 2HG MET 114 33.744 -2.444 -2.444 1856 2HG MET 114 1HG MET 114 34.822 -1.126 -1.126 1857 1HE MET 114 3HE MET 114 36.787 -2.653 -2.653 1858 2HE MET 114 2HE MET 114 37.252 -4.084 -4.084 1859 3HE MET 114 1HE MET 114 35.931 -4.175 -4.175 1860 H VAL 115 HN VAL 115 30.688 1.264 1.264 1861 HA VAL 115 HA VAL 115 29.368 1.145 1.145 1862 HB VAL 115 HB VAL 115 29.537 3.662 3.662 1863 1HG1 VAL 115 1HG1 VAL 115 28.137 3.103 3.103 1864 2HG1 VAL 115 3HG1 VAL 115 28.323 4.697 4.697 1865 3HG1 VAL 115 2HG1 VAL 115 27.375 3.457 3.457 1866 1HG2 VAL 115 2HG2 VAL 115 31.292 2.626 2.626 1867 2HG2 VAL 115 1HG2 VAL 115 31.362 4.182 4.182 1868 3HG2 VAL 115 3HG2 VAL 115 30.460 4.023 4.023 1869 H ARG 116 HN ARG 116 27.380 0.358 0.358 1870 HA ARG 116 HA ARG 116 26.200 0.104 0.104 1871 1HB ARG 116 2HB ARG 116 25.830 -1.171 -1.171 1872 2HB ARG 116 1HB ARG 116 24.379 -1.021 -1.021 1873 1HG ARG 116 2HG ARG 116 26.943 -2.300 -2.300 1874 2HG ARG 116 1HG ARG 116 25.547 -3.175 -3.175 1875 1HD ARG 116 2HD ARG 116 24.472 -3.049 -3.049 1876 2HD ARG 116 1HD ARG 116 24.803 -1.325 -1.325 1877 HE ARG 116 HE ARG 116 27.173 -2.557 -2.557 1878 1HH1 ARG 116 1HH2 ARG 116 23.911 -2.694 -2.694 1879 2HH1 ARG 116 2HH2 ARG 116 24.390 -3.087 -3.087 1880 1HH2 ARG 116 1HH1 ARG 116 27.816 -3.071 -3.071 1881 2HH2 ARG 116 2HH1 ARG 116 26.612 -3.299 -3.299 1882 H ARG 117 HN ARG 117 24.311 1.024 1.024 1883 HA ARG 117 HA ARG 117 22.962 2.883 2.883 1884 1HB ARG 117 2HB ARG 117 24.442 4.219 4.219 1885 2HB ARG 117 1HB ARG 117 23.795 3.470 3.470 1886 1HG ARG 117 2HG ARG 117 21.557 4.427 4.427 1887 2HG ARG 117 1HG ARG 117 22.394 5.346 5.346 1888 1HD ARG 117 2HD ARG 117 23.306 5.454 5.454 1889 2HD ARG 117 1HD ARG 117 21.964 6.453 6.453 1890 HE ARG 117 HE ARG 117 24.067 6.828 6.828 1891 1HH1 ARG 117 1HH2 ARG 117 23.362 7.400 7.400 1892 2HH1 ARG 117 2HH2 ARG 117 24.402 8.781 8.781 1893 1HH2 ARG 117 1HH1 ARG 117 25.440 8.643 8.643 1894 2HH2 ARG 117 2HH1 ARG 117 25.585 9.486 9.486 1895 H LYS 118 HN LYS 118 20.817 2.682 2.682 1896 HA LYS 118 HA LYS 118 19.517 1.325 1.325 1897 1HB LYS 118 2HB LYS 118 19.421 0.718 0.718 1898 2HB LYS 118 1HB LYS 118 17.891 0.636 0.636 1899 1HG LYS 118 2HG LYS 118 19.195 -0.830 -0.830 1900 2HG LYS 118 1HG LYS 118 20.359 -1.007 -1.007 1901 1HD LYS 118 2HD LYS 118 18.973 -2.816 -2.816 1902 2HD LYS 118 1HD LYS 118 18.247 -1.600 -1.600 1903 1HE LYS 118 2HE LYS 118 16.376 -2.352 -2.352 1904 2HE LYS 118 1HE LYS 118 16.851 -1.058 -1.058 1905 1HZ LYS 118 3HZ LYS 118 18.205 -3.049 -3.049 1906 2HZ LYS 118 2HZ LYS 118 16.947 -3.948 -3.948 1907 3HZ LYS 118 1HZ LYS 118 16.602 -2.722 -2.722 1908 H ASN 119 HN ASN 119 17.186 1.736 1.736 1909 HA ASN 119 HA ASN 119 16.289 4.228 4.228 1910 1HB ASN 119 2HB ASN 119 16.298 3.785 3.785 1911 2HB ASN 119 1HB ASN 119 15.587 5.166 5.166 1912 1HD2 ASN 119 2HD2 ASN 119 19.521 5.035 5.035 1913 2HD2 ASN 119 1HD2 ASN 119 18.432 3.764 3.764 1914 H LEU 120 HN LEU 120 14.081 4.381 4.381 1915 HA LEU 120 HA LEU 120 12.469 2.150 2.150 1916 1HB LEU 120 2HB LEU 120 12.833 3.090 3.090 1917 2HB LEU 120 1HB LEU 120 11.194 2.685 2.685 1918 HG LEU 120 HG LEU 120 11.937 0.427 0.427 1919 1HD1 LEU 120 3HD1 LEU 120 14.545 1.639 1.639 1920 2HD1 LEU 120 2HD1 LEU 120 14.388 0.138 0.138 1921 3HD1 LEU 120 1HD1 LEU 120 14.088 0.149 0.149 1922 1HD2 LEU 120 3HD2 LEU 120 11.193 1.102 1.102 1923 2HD2 LEU 120 2HD2 LEU 120 12.050 -0.429 -0.429 1924 3HD2 LEU 120 1HD2 LEU 120 12.898 0.991 0.991 1925 HA PRO 121 HA PRO 121 10.473 5.978 5.978 1926 1HB PRO 121 2HB PRO 121 8.968 3.899 3.899 1927 2HB PRO 121 1HB PRO 121 9.749 5.368 5.368 1928 1HG PRO 121 2HG PRO 121 10.831 2.973 2.973 1929 2HG PRO 121 1HG PRO 121 11.846 4.379 4.379 1930 1HD PRO 121 2HD PRO 121 11.036 2.107 2.107 1931 2HD PRO 121 1HD PRO 121 12.593 2.955 2.955 1932 H ILE 122 HN ILE 122 8.702 6.928 6.928 1933 HA ILE 122 HA ILE 122 6.861 5.267 5.267 1934 HB ILE 122 HB ILE 122 6.950 8.277 8.277 1935 1HG1 ILE 122 2HG1 ILE 122 9.182 7.390 7.390 1936 2HG1 ILE 122 1HG1 ILE 122 8.408 8.176 8.176 1937 1HG2 ILE 122 1HG2 ILE 122 5.526 6.207 6.207 1938 2HG2 ILE 122 3HG2 ILE 122 6.188 7.535 7.535 1939 3HG2 ILE 122 2HG2 ILE 122 5.067 7.870 7.870 1940 1HD1 ILE 122 2HD1 ILE 122 7.633 5.772 5.772 1941 2HD1 ILE 122 1HD1 ILE 122 8.952 5.284 5.284 1942 3HD1 ILE 122 3HD1 ILE 122 9.285 6.279 6.279 1943 H GLU 123 HN GLU 123 4.653 5.286 5.286 1944 HA GLU 123 HA GLU 123 3.596 6.730 6.730 1945 1HB GLU 123 2HB GLU 123 3.547 3.804 3.804 1946 2HB GLU 123 1HB GLU 123 2.113 4.522 4.522 1947 1HG GLU 123 2HG GLU 123 3.790 5.546 5.546 1948 2HG GLU 123 1HG GLU 123 4.870 4.278 4.278 1949 H TYR 124 HN TYR 124 1.216 6.838 6.838 1950 HA TYR 124 HA TYR 124 0.131 6.837 6.837 1951 1HB TYR 124 2HB TYR 124 -0.631 8.891 8.891 1952 2HB TYR 124 1HB TYR 124 -0.912 8.932 8.932 1953 HD1 TYR 124 1HD TYR 124 1.866 8.905 8.905 1954 HD2 TYR 124 2HD TYR 124 0.536 10.135 10.135 1955 HE1 TYR 124 1HE TYR 124 3.940 10.191 10.191 1956 HE2 TYR 124 2HE TYR 124 2.606 11.426 11.426 1957 HH TYR 124 HH TYR 124 5.308 11.009 11.009 1958 H ASN 125 HN ASN 125 -1.678 5.714 5.714 1959 HA ASN 125 HA ASN 125 -3.264 5.064 5.064 1960 1HB ASN 125 2HB ASN 125 -2.017 3.193 3.193 1961 2HB ASN 125 1HB ASN 125 -3.321 3.393 3.393 1962 1HD2 ASN 125 2HD2 ASN 125 -5.108 1.020 1.020 1963 2HD2 ASN 125 1HD2 ASN 125 -4.362 1.495 1.495 1964 H LEU 126 HN LEU 126 -4.467 7.018 7.018 1965 HA LEU 126 HA LEU 126 -5.868 7.653 7.653 1966 1HB LEU 126 2HB LEU 126 -6.876 8.280 8.280 1967 2HB LEU 126 1HB LEU 126 -7.077 9.215 9.215 1968 HG LEU 126 HG LEU 126 -4.572 8.905 8.905 1969 1HD1 LEU 126 2HD1 LEU 126 -6.443 11.162 11.162 1970 2HD1 LEU 126 1HD1 LEU 126 -4.787 11.453 11.453 1971 3HD1 LEU 126 3HD1 LEU 126 -5.906 10.571 10.571 1972 1HD2 LEU 126 3HD2 LEU 126 -4.888 9.487 9.487 1973 2HD2 LEU 126 2HD2 LEU 126 -3.440 9.079 9.079 1974 3HD2 LEU 126 1HD2 LEU 126 -4.016 10.745 10.745 Start of MODEL 20 1 1H ALA 1 1HN ALA 1 -38.599 13.590 13.590 2 2H ALA 1 3HN ALA 1 -39.245 14.307 14.307 3 3H ALA 1 2HN ALA 1 -37.910 15.035 15.035 4 HA ALA 1 HA ALA 1 -36.554 13.158 13.158 5 1HB ALA 1 2HB ALA 1 -36.798 15.127 15.127 6 2HB ALA 1 1HB ALA 1 -37.887 14.129 14.129 7 3HB ALA 1 3HB ALA 1 -36.208 13.638 13.638 8 H GLN 2 HN GLN 2 -37.852 11.333 11.333 9 HA GLN 2 HA GLN 2 -38.733 9.599 9.599 10 1HB GLN 2 2HB GLN 2 -40.570 8.732 8.732 11 2HB GLN 2 1HB GLN 2 -40.783 10.418 10.418 12 1HG GLN 2 2HG GLN 2 -40.002 11.130 11.130 13 2HG GLN 2 1HG GLN 2 -39.724 9.451 9.451 14 1HE2 GLN 2 2HE2 GLN 2 -43.299 11.114 11.114 15 2HE2 GLN 2 1HE2 GLN 2 -41.864 11.983 11.983 16 H SER 3 HN SER 3 -37.957 7.575 7.575 17 HA SER 3 HA SER 3 -36.747 5.778 5.778 18 1HB SER 3 2HB SER 3 -37.229 6.335 6.335 19 2HB SER 3 1HB SER 3 -37.392 4.827 4.827 20 HG SER 3 HG SER 3 -39.377 5.400 5.400 21 H VAL 4 HN VAL 4 -34.773 6.718 6.718 22 HA VAL 4 HA VAL 4 -32.992 7.300 7.300 23 HB VAL 4 HB VAL 4 -33.609 9.501 9.501 24 1HG1 VAL 4 1HG1 VAL 4 -34.357 8.866 8.866 25 2HG1 VAL 4 3HG1 VAL 4 -32.682 8.596 8.596 26 3HG1 VAL 4 2HG1 VAL 4 -33.226 10.218 10.218 27 1HG2 VAL 4 1HG2 VAL 4 -30.846 8.614 8.614 28 2HG2 VAL 4 3HG2 VAL 4 -31.355 9.378 9.378 29 3HG2 VAL 4 2HG2 VAL 4 -31.346 10.305 10.305 30 HA PRO 5 HA PRO 5 -30.295 4.377 4.377 31 1HB PRO 5 2HB PRO 5 -28.172 6.340 6.340 32 2HB PRO 5 1HB PRO 5 -28.252 4.601 4.601 33 1HG PRO 5 2HG PRO 5 -28.752 6.345 6.345 34 2HG PRO 5 1HG PRO 5 -29.697 4.852 4.852 35 1HD PRO 5 2HD PRO 5 -30.457 7.652 7.652 36 2HD PRO 5 1HD PRO 5 -31.461 6.324 6.324 37 HA PRO 6 HA PRO 6 -29.795 5.856 5.856 38 1HB PRO 6 2HB PRO 6 -27.501 3.954 3.954 39 2HB PRO 6 1HB PRO 6 -28.865 4.098 4.098 40 1HG PRO 6 2HG PRO 6 -28.773 2.122 2.122 41 2HG PRO 6 1HG PRO 6 -30.303 2.933 2.933 42 1HD PRO 6 2HD PRO 6 -28.552 3.217 3.217 43 2HD PRO 6 1HD PRO 6 -30.322 3.265 3.265 44 H GLY 7 HN GLY 7 -28.335 7.074 7.074 45 1HA GLY 7 2HA GLY 7 -26.607 8.769 8.769 46 2HA GLY 7 1HA GLY 7 -26.749 8.710 8.710 47 H ASP 8 HN ASP 8 -24.591 8.465 8.465 48 HA ASP 8 HA ASP 8 -23.089 6.184 6.184 49 1HB ASP 8 2HB ASP 8 -22.128 8.981 8.981 50 2HB ASP 8 1HB ASP 8 -21.141 7.530 7.530 51 H ILE 9 HN ILE 9 -22.296 5.385 5.385 52 HA ILE 9 HA ILE 9 -21.858 7.032 7.032 53 HB ILE 9 HB ILE 9 -21.151 4.950 4.950 54 1HG1 ILE 9 2HG1 ILE 9 -21.929 3.187 3.187 55 2HG1 ILE 9 1HG1 ILE 9 -20.481 4.121 4.121 56 1HG2 ILE 9 2HG2 ILE 9 -23.694 4.789 4.789 57 2HG2 ILE 9 1HG2 ILE 9 -23.309 3.739 3.739 58 3HG2 ILE 9 3HG2 ILE 9 -23.490 5.476 5.476 59 1HD1 ILE 9 1HD1 ILE 9 -20.854 2.439 2.439 60 2HD1 ILE 9 3HD1 ILE 9 -20.021 1.915 1.915 61 3HD1 ILE 9 2HD1 ILE 9 -19.382 3.259 3.259 62 H ASN 10 HN ASN 10 -19.963 7.706 7.706 63 HA ASN 10 HA ASN 10 -17.623 7.606 7.606 64 1HB ASN 10 2HB ASN 10 -18.651 9.383 9.383 65 2HB ASN 10 1HB ASN 10 -17.004 8.917 8.917 66 1HD2 ASN 10 2HD2 ASN 10 -17.724 11.542 11.542 67 2HD2 ASN 10 1HD2 ASN 10 -18.959 10.877 10.877 68 H THR 11 HN THR 11 -15.614 6.760 6.760 69 HA THR 11 HA THR 11 -15.520 5.119 5.119 70 HB THR 11 HB THR 11 -14.188 3.461 3.461 71 HG1 THR 11 1HG THR 11 -14.437 4.818 4.818 72 1HG2 THR 11 3HG2 THR 11 -16.308 2.958 2.958 73 2HG2 THR 11 2HG2 THR 11 -17.183 3.517 3.517 74 3HG2 THR 11 1HG2 THR 11 -16.114 2.119 2.119 75 H GLN 12 HN GLN 12 -13.453 4.745 4.745 76 HA GLN 12 HA GLN 12 -11.244 6.224 6.224 77 1HB GLN 12 2HB GLN 12 -11.960 6.354 6.354 78 2HB GLN 12 1HB GLN 12 -10.594 7.150 7.150 79 1HG GLN 12 2HG GLN 12 -12.417 8.272 8.272 80 2HG GLN 12 1HG GLN 12 -13.500 7.799 7.799 81 1HE2 GLN 12 2HE2 GLN 12 -12.756 10.713 10.713 82 2HE2 GLN 12 1HE2 GLN 12 -13.929 9.600 9.600 83 HA PRO 13 HA PRO 13 -9.189 5.966 5.966 84 1HB PRO 13 2HB PRO 13 -8.111 4.149 4.149 85 2HB PRO 13 1HB PRO 13 -7.256 4.780 4.780 86 1HG PRO 13 2HG PRO 13 -8.735 2.197 2.197 87 2HG PRO 13 1HG PRO 13 -7.168 2.501 2.501 88 1HD PRO 13 2HD PRO 13 -9.423 2.191 2.191 89 2HD PRO 13 1HD PRO 13 -8.142 3.314 3.314 90 H SER 14 HN SER 14 -9.655 6.335 6.335 91 HA SER 14 HA SER 14 -12.269 6.142 6.142 92 1HB SER 14 2HB SER 14 -10.770 7.595 7.595 93 2HB SER 14 1HB SER 14 -9.848 6.220 6.220 94 HG SER 14 HG SER 14 -11.973 7.373 7.373 95 H GLN 15 HN GLN 15 -9.751 4.050 4.050 96 HA GLN 15 HA GLN 15 -11.234 1.669 1.669 97 1HB GLN 15 2HB GLN 15 -12.612 2.836 2.836 98 2HB GLN 15 1HB GLN 15 -11.219 2.751 2.751 99 1HG GLN 15 2HG GLN 15 -11.590 0.152 0.152 100 2HG GLN 15 1HG GLN 15 -13.202 0.761 0.761 101 1HE2 GLN 15 2HE2 GLN 15 -12.658 -0.273 -0.273 102 2HE2 GLN 15 1HE2 GLN 15 -13.560 -0.440 -0.440 103 H LYS 16 HN LYS 16 -8.665 2.226 2.226 104 HA LYS 16 HA LYS 16 -7.252 0.311 0.311 105 1HB LYS 16 2HB LYS 16 -6.915 3.111 3.111 106 2HB LYS 16 1HB LYS 16 -5.427 2.475 2.475 107 1HG LYS 16 2HG LYS 16 -6.832 1.247 1.247 108 2HG LYS 16 1HG LYS 16 -5.547 2.450 2.450 109 1HD LYS 16 2HD LYS 16 -3.929 1.002 1.002 110 2HD LYS 16 1HD LYS 16 -5.099 -0.007 -0.007 111 1HE LYS 16 2HE LYS 16 -4.699 -1.389 -1.389 112 2HE LYS 16 1HE LYS 16 -5.954 -0.399 -0.399 113 1HZ LYS 16 2HZ LYS 16 -4.141 1.008 1.008 114 2HZ LYS 16 1HZ LYS 16 -3.020 -0.120 -0.120 115 3HZ LYS 16 3HZ LYS 16 -4.149 -0.572 -0.572 116 H ILE 17 HN ILE 17 -6.702 -0.994 -0.994 117 HA ILE 17 HA ILE 17 -5.086 0.168 0.168 118 HB ILE 17 HB ILE 17 -7.353 -0.324 -0.324 119 1HG1 ILE 17 2HG1 ILE 17 -5.136 -2.105 -2.105 120 2HG1 ILE 17 1HG1 ILE 17 -5.465 -0.448 -0.448 121 1HG2 ILE 17 2HG2 ILE 17 -7.343 -2.451 -2.451 122 2HG2 ILE 17 1HG2 ILE 17 -6.939 -3.237 -3.237 123 3HG2 ILE 17 3HG2 ILE 17 -8.421 -2.291 -2.291 124 1HD1 ILE 17 3HD1 ILE 17 -7.426 -2.691 -2.691 125 2HD1 ILE 17 2HD1 ILE 17 -6.220 -2.239 -2.239 126 3HD1 ILE 17 1HD1 ILE 17 -7.459 -1.082 -1.082 127 H VAL 18 HN VAL 18 -3.400 -1.096 -1.096 128 HA VAL 18 HA VAL 18 -3.017 -3.769 -3.769 129 HB VAL 18 HB VAL 18 -2.061 -2.421 -2.421 130 1HG1 VAL 18 1HG1 VAL 18 -1.335 -0.703 -0.703 131 2HG1 VAL 18 3HG1 VAL 18 0.165 -1.232 -1.232 132 3HG1 VAL 18 2HG1 VAL 18 -1.094 -0.464 -0.464 133 1HG2 VAL 18 3HG2 VAL 18 -0.394 -4.143 -4.143 134 2HG2 VAL 18 2HG2 VAL 18 -0.674 -4.186 -4.186 135 3HG2 VAL 18 1HG2 VAL 18 0.514 -3.071 -3.071 136 H PHE 19 HN PHE 19 -2.318 -4.992 -4.992 137 HA PHE 19 HA PHE 19 -1.348 -3.868 -3.868 138 1HB PHE 19 2HB PHE 19 -1.605 -6.711 -6.711 139 2HB PHE 19 1HB PHE 19 -0.983 -6.308 -6.308 140 HD1 PHE 19 1HD PHE 19 -3.942 -6.363 -6.363 141 HD2 PHE 19 2HD PHE 19 -2.437 -5.482 -5.482 142 HE1 PHE 19 1HE PHE 19 -6.243 -6.276 -6.276 143 HE2 PHE 19 2HE PHE 19 -4.734 -5.395 -5.395 144 HZ PHE 19 HZ PHE 19 -6.642 -5.792 -5.792 145 H ASN 20 HN ASN 20 0.644 -3.112 -3.112 146 HA ASN 20 HA ASN 20 2.804 -3.970 -3.970 147 1HB ASN 20 2HB ASN 20 2.702 -1.995 -1.995 148 2HB ASN 20 1HB ASN 20 4.138 -2.304 -2.304 149 1HD2 ASN 20 2HD2 ASN 20 1.047 -0.102 -0.102 150 2HD2 ASN 20 1HD2 ASN 20 0.878 -1.045 -1.045 151 H ALA 21 HN ALA 21 4.448 -5.306 -5.306 152 HA ALA 21 HA ALA 21 4.230 -7.095 -7.095 153 1HB ALA 21 3HB ALA 21 5.658 -6.982 -6.982 154 2HB ALA 21 2HB ALA 21 6.888 -7.016 -7.016 155 3HB ALA 21 1HB ALA 21 5.671 -8.290 -8.290 156 HA PRO 22 HA PRO 22 6.496 -8.419 -8.419 157 1HB PRO 22 2HB PRO 22 6.986 -9.287 -9.287 158 2HB PRO 22 1HB PRO 22 8.246 -8.578 -8.578 159 1HG PRO 22 2HG PRO 22 6.647 -7.310 -7.310 160 2HG PRO 22 1HG PRO 22 8.385 -7.188 -7.188 161 1HD PRO 22 2HD PRO 22 6.607 -5.267 -5.267 162 2HD PRO 22 1HD PRO 22 8.089 -5.604 -5.604 163 H TYR 23 HN TYR 23 5.301 -10.309 -10.309 164 HA TYR 23 HA TYR 23 2.664 -9.583 -9.583 165 1HB TYR 23 2HB TYR 23 3.467 -11.885 -11.885 166 2HB TYR 23 1HB TYR 23 1.841 -11.610 -11.610 167 HD1 TYR 23 2HD TYR 23 1.830 -8.592 -8.592 168 HD2 TYR 23 1HD TYR 23 3.032 -11.690 -11.690 169 HE1 TYR 23 2HE TYR 23 1.352 -7.127 -7.127 170 HE2 TYR 23 1HE TYR 23 2.557 -10.233 -10.233 171 HH TYR 23 HH TYR 23 2.337 -7.891 -7.891 172 H ASP 24 HN ASP 24 4.582 -9.934 -9.934 173 HA ASP 24 HA ASP 24 4.031 -12.611 -12.611 174 1HB ASP 24 2HB ASP 24 6.475 -11.743 -11.743 175 2HB ASP 24 1HB ASP 24 6.288 -10.948 -10.948 176 H ASP 25 HN ASP 25 3.193 -9.401 -9.401 177 HA ASP 25 HA ASP 25 2.549 -9.786 -9.786 178 1HB ASP 25 2HB ASP 25 4.301 -7.998 -7.998 179 2HB ASP 25 1HB ASP 25 2.973 -7.086 -7.086 180 H LYS 26 HN LYS 26 0.517 -9.173 -9.173 181 HA LYS 26 HA LYS 26 -1.536 -9.194 -9.194 182 1HB LYS 26 2HB LYS 26 -1.617 -8.876 -8.876 183 2HB LYS 26 1HB LYS 26 -3.058 -8.922 -8.922 184 1HG LYS 26 2HG LYS 26 -3.051 -11.125 -11.125 185 2HG LYS 26 1HG LYS 26 -1.551 -11.161 -11.161 186 1HD LYS 26 2HD LYS 26 -0.998 -12.307 -12.307 187 2HD LYS 26 1HD LYS 26 -0.402 -10.674 -10.674 188 1HE LYS 26 2HE LYS 26 -1.768 -10.417 -10.417 189 2HE LYS 26 1HE LYS 26 -3.161 -10.964 -10.964 190 1HZ LYS 26 2HZ LYS 26 -1.953 -13.277 -13.277 191 2HZ LYS 26 1HZ LYS 26 -1.421 -12.461 -12.461 192 3HZ LYS 26 3HZ LYS 26 -3.078 -12.635 -12.635 193 H HIS 27 HN HIS 27 -2.487 -7.522 -7.522 194 HA HIS 27 HA HIS 27 -2.230 -4.860 -4.860 195 1HB HIS 27 2HB HIS 27 -2.299 -4.100 -4.100 196 2HB HIS 27 1HB HIS 27 -0.781 -4.593 -4.593 197 HD1 HIS 27 1HD HIS 27 -3.441 -6.949 -6.949 198 HD2 HIS 27 2HD HIS 27 0.438 -5.696 -5.696 199 HE1 HIS 27 1HE HIS 27 -2.579 -8.449 -8.449 200 H THR 28 HN THR 28 -3.907 -3.348 -3.348 201 HA THR 28 HA THR 28 -6.379 -4.565 -4.565 202 HB THR 28 HB THR 28 -6.608 -2.622 -2.622 203 HG1 THR 28 1HG THR 28 -5.727 -5.291 -5.291 204 1HG2 THR 28 2HG2 THR 28 -8.608 -3.567 -3.567 205 2HG2 THR 28 1HG2 THR 28 -8.082 -5.179 -5.179 206 3HG2 THR 28 3HG2 THR 28 -8.488 -3.974 -3.974 207 H TYR 29 HN TYR 29 -7.022 -3.451 -3.451 208 HA TYR 29 HA TYR 29 -6.368 -0.595 -0.595 209 1HB TYR 29 2HB TYR 29 -7.145 -2.607 -2.607 210 2HB TYR 29 1HB TYR 29 -6.958 -0.885 -0.885 211 HD1 TYR 29 1HD TYR 29 -5.030 -3.655 -3.655 212 HD2 TYR 29 2HD TYR 29 -4.941 -0.212 -0.212 213 HE1 TYR 29 1HE TYR 29 -2.623 -3.992 -3.992 214 HE2 TYR 29 2HE TYR 29 -2.533 -0.540 -0.540 215 HH TYR 29 HH TYR 29 -0.699 -2.909 -2.909 216 H HIS 30 HN HIS 30 -7.919 0.772 0.772 217 HA HIS 30 HA HIS 30 -10.702 -0.093 -0.093 218 1HB HIS 30 2HB HIS 30 -9.412 2.405 2.405 219 2HB HIS 30 1HB HIS 30 -11.124 2.013 2.013 220 HD1 HIS 30 1HD HIS 30 -7.942 0.031 0.031 221 HD2 HIS 30 2HD HIS 30 -11.584 1.115 1.115 222 HE1 HIS 30 1HE HIS 30 -8.018 -1.046 -1.046 223 H ILE 31 HN ILE 31 -12.185 0.595 0.595 224 HA ILE 31 HA ILE 31 -11.355 2.606 2.606 225 HB ILE 31 HB ILE 31 -13.698 0.782 0.782 226 1HG1 ILE 31 2HG1 ILE 31 -11.806 -0.674 -0.674 227 2HG1 ILE 31 1HG1 ILE 31 -12.244 -0.867 -0.867 228 1HG2 ILE 31 2HG2 ILE 31 -13.002 2.807 2.807 229 2HG2 ILE 31 1HG2 ILE 31 -11.766 1.711 1.711 230 3HG2 ILE 31 3HG2 ILE 31 -13.473 1.295 1.295 231 1HD1 ILE 31 3HD1 ILE 31 -9.985 0.869 0.869 232 2HD1 ILE 31 2HD1 ILE 31 -9.800 -0.809 -0.809 233 3HD1 ILE 31 1HD1 ILE 31 -10.360 0.407 0.407 234 H LYS 32 HN LYS 32 -12.685 4.339 4.339 235 HA LYS 32 HA LYS 32 -14.822 4.829 4.829 236 1HB LYS 32 2HB LYS 32 -12.698 6.388 6.388 237 2HB LYS 32 1HB LYS 32 -13.838 7.037 7.037 238 1HG LYS 32 2HG LYS 32 -15.334 7.722 7.722 239 2HG LYS 32 1HG LYS 32 -14.561 6.717 6.717 240 1HD LYS 32 2HD LYS 32 -12.587 8.130 8.130 241 2HD LYS 32 1HD LYS 32 -13.295 9.105 9.105 242 1HE LYS 32 2HE LYS 32 -14.738 8.762 8.762 243 2HE LYS 32 1HE LYS 32 -13.425 9.931 9.931 244 1HZ LYS 32 3HZ LYS 32 -15.523 9.972 9.972 245 2HZ LYS 32 2HZ LYS 32 -15.896 10.589 10.589 246 3HZ LYS 32 1HZ LYS 32 -14.617 11.248 11.248 247 H ILE 33 HN ILE 33 -16.842 4.661 4.661 248 HA ILE 33 HA ILE 33 -17.441 5.042 5.042 249 HB ILE 33 HB ILE 33 -19.116 3.489 3.489 250 1HG1 ILE 33 2HG1 ILE 33 -17.128 2.406 2.406 251 2HG1 ILE 33 1HG1 ILE 33 -16.868 2.466 2.466 252 1HG2 ILE 33 1HG2 ILE 33 -19.180 3.918 3.918 253 2HG2 ILE 33 3HG2 ILE 33 -19.902 2.479 2.479 254 3HG2 ILE 33 2HG2 ILE 33 -20.481 4.080 4.080 255 1HD1 ILE 33 3HD1 ILE 33 -19.201 1.137 1.137 256 2HD1 ILE 33 2HD1 ILE 33 -18.493 0.625 0.625 257 3HD1 ILE 33 1HD1 ILE 33 -17.621 0.355 0.355 258 H THR 34 HN THR 34 -19.423 6.102 6.102 259 HA THR 34 HA THR 34 -20.918 7.446 7.446 260 HB THR 34 HB THR 34 -19.187 8.996 8.996 261 HG1 THR 34 1HG THR 34 -17.958 8.999 8.999 262 1HG2 THR 34 3HG2 THR 34 -21.318 10.047 10.047 263 2HG2 THR 34 2HG2 THR 34 -20.130 11.029 11.029 264 3HG2 THR 34 1HG2 THR 34 -21.330 10.107 10.107 265 H ASN 35 HN ASN 35 -22.802 8.531 8.531 266 HA ASN 35 HA ASN 35 -23.696 7.450 7.450 267 1HB ASN 35 2HB ASN 35 -25.033 6.855 6.855 268 2HB ASN 35 1HB ASN 35 -25.340 8.566 8.566 269 1HD2 ASN 35 2HD2 ASN 35 -26.997 6.914 6.914 270 2HD2 ASN 35 1HD2 ASN 35 -25.396 6.486 6.486 271 H ALA 36 HN ALA 36 -23.432 8.835 8.835 272 HA ALA 36 HA ALA 36 -23.585 11.705 11.705 273 1HB ALA 36 1HB ALA 36 -21.820 10.458 10.458 274 2HB ALA 36 3HB ALA 36 -23.075 10.480 10.480 275 3HB ALA 36 2HB ALA 36 -22.473 11.995 11.995 276 H GLY 37 HN GLY 37 -25.963 9.764 9.764 277 1HA GLY 37 2HA GLY 37 -27.458 11.004 11.004 278 2HA GLY 37 1HA GLY 37 -27.918 9.530 9.530 279 H GLY 38 HN GLY 38 -29.956 10.141 10.141 280 1HA GLY 38 2HA GLY 38 -30.056 12.150 12.150 281 2HA GLY 38 1HA GLY 38 -31.150 12.334 12.334 282 H ARG 39 HN ARG 39 -30.364 9.130 9.130 283 HA ARG 39 HA ARG 39 -32.563 8.860 8.860 284 1HB ARG 39 2HB ARG 39 -32.717 7.740 7.740 285 2HB ARG 39 1HB ARG 39 -33.642 7.061 7.061 286 1HG ARG 39 2HG ARG 39 -35.201 8.493 8.493 287 2HG ARG 39 1HG ARG 39 -34.347 9.615 9.615 288 1HD ARG 39 2HD ARG 39 -33.954 10.916 10.916 289 2HD ARG 39 1HD ARG 39 -32.964 9.632 9.632 290 HE ARG 39 HE ARG 39 -34.664 9.143 9.143 291 1HH1 ARG 39 1HH2 ARG 39 -35.862 11.235 11.235 292 2HH1 ARG 39 2HH2 ARG 39 -37.381 11.519 11.519 293 1HH2 ARG 39 1HH1 ARG 39 -36.663 9.511 9.511 294 2HH2 ARG 39 2HH1 ARG 39 -37.838 10.539 10.539 295 H ARG 40 HN ARG 40 -32.738 6.661 6.661 296 HA ARG 40 HA ARG 40 -30.276 5.566 5.566 297 1HB ARG 40 2HB ARG 40 -33.097 4.567 4.567 298 2HB ARG 40 1HB ARG 40 -31.771 3.490 3.490 299 1HG ARG 40 2HG ARG 40 -31.357 4.537 4.537 300 2HG ARG 40 1HG ARG 40 -31.666 6.138 6.138 301 1HD ARG 40 2HD ARG 40 -33.797 4.124 4.124 302 2HD ARG 40 1HD ARG 40 -33.302 5.466 5.466 303 HE ARG 40 HE ARG 40 -34.079 6.324 6.324 304 1HH1 ARG 40 1HH2 ARG 40 -35.284 5.376 5.376 305 2HH1 ARG 40 2HH2 ARG 40 -36.755 6.278 6.278 306 1HH2 ARG 40 1HH1 ARG 40 -36.013 7.512 7.512 307 2HH2 ARG 40 2HH1 ARG 40 -37.170 7.491 7.491 308 H ILE 41 HN ILE 41 -29.264 3.574 3.574 309 HA ILE 41 HA ILE 41 -30.139 2.270 2.270 310 HB ILE 41 HB ILE 41 -27.757 2.440 2.440 311 1HG1 ILE 41 2HG1 ILE 41 -27.564 5.020 5.020 312 2HG1 ILE 41 1HG1 ILE 41 -27.093 3.540 3.540 313 1HG2 ILE 41 2HG2 ILE 41 -29.669 3.557 3.557 314 2HG2 ILE 41 1HG2 ILE 41 -29.467 4.922 4.922 315 3HG2 ILE 41 3HG2 ILE 41 -28.221 4.560 4.560 316 1HD1 ILE 41 3HD1 ILE 41 -25.500 3.065 3.065 317 2HD1 ILE 41 2HD1 ILE 41 -25.940 4.596 4.596 318 3HD1 ILE 41 1HD1 ILE 41 -25.164 4.586 4.586 319 H GLY 42 HN GLY 42 -30.083 0.167 0.167 320 1HA GLY 42 2HA GLY 42 -28.513 -0.915 -0.915 321 2HA GLY 42 1HA GLY 42 -29.504 -1.829 -1.829 322 H TRP 43 HN TRP 43 -26.398 -1.281 -1.281 323 HA TRP 43 HA TRP 43 -25.290 -2.170 -2.170 324 1HB TRP 43 2HB TRP 43 -23.177 -1.112 -1.112 325 2HB TRP 43 1HB TRP 43 -24.492 0.059 0.059 326 HD1 TRP 43 1HD TRP 43 -25.147 1.219 1.219 327 HE1 TRP 43 1HE TRP 43 -24.058 1.261 1.261 328 HE3 TRP 43 3HE TRP 43 -21.818 -2.614 -2.614 329 HZ2 TRP 43 2HZ TRP 43 -22.051 -0.145 -0.145 330 HZ3 TRP 43 3HZ TRP 43 -20.349 -3.203 -3.203 331 HH2 TRP 43 2HH TRP 43 -20.464 -1.992 -1.992 332 H ALA 44 HN ALA 44 -23.433 -3.570 -3.570 333 HA ALA 44 HA ALA 44 -22.894 -4.984 -4.984 334 1HB ALA 44 1HB ALA 44 -24.617 -6.094 -6.094 335 2HB ALA 44 3HB ALA 44 -23.335 -7.164 -7.164 336 3HB ALA 44 2HB ALA 44 -24.508 -6.506 -6.506 337 H ILE 45 HN ILE 45 -21.022 -6.327 -6.327 338 HA ILE 45 HA ILE 45 -19.282 -5.604 -5.604 339 HB ILE 45 HB ILE 45 -18.283 -6.838 -6.838 340 1HG1 ILE 45 2HG1 ILE 45 -19.681 -4.930 -4.930 341 2HG1 ILE 45 1HG1 ILE 45 -17.973 -4.595 -4.595 342 1HG2 ILE 45 3HG2 ILE 45 -17.156 -5.633 -5.633 343 2HG2 ILE 45 2HG2 ILE 45 -16.529 -4.899 -4.899 344 3HG2 ILE 45 1HG2 ILE 45 -16.389 -6.640 -6.640 345 1HD1 ILE 45 1HD1 ILE 45 -17.999 -3.381 -3.381 346 2HD1 ILE 45 3HD1 ILE 45 -19.756 -3.519 -3.519 347 3HD1 ILE 45 2HD1 ILE 45 -18.902 -2.632 -2.632 348 H LYS 46 HN LYS 46 -17.862 -7.174 -7.174 349 HA LYS 46 HA LYS 46 -18.258 -9.970 -9.970 350 1HB LYS 46 2HB LYS 46 -19.263 -8.733 -8.733 351 2HB LYS 46 1HB LYS 46 -18.810 -10.430 -10.430 352 1HG LYS 46 2HG LYS 46 -20.441 -10.557 -10.557 353 2HG LYS 46 1HG LYS 46 -21.056 -9.015 -9.015 354 1HD LYS 46 2HD LYS 46 -22.400 -10.305 -10.305 355 2HD LYS 46 1HD LYS 46 -20.976 -10.473 -10.473 356 1HE LYS 46 2HE LYS 46 -20.361 -12.507 -12.507 357 2HE LYS 46 1HE LYS 46 -21.887 -12.362 -12.362 358 1HZ LYS 46 1HZ LYS 46 -21.765 -12.557 -12.557 359 2HZ LYS 46 3HZ LYS 46 -21.855 -13.925 -13.925 360 3HZ LYS 46 2HZ LYS 46 -23.104 -12.786 -12.786 361 H THR 47 HN THR 47 -16.447 -11.099 -11.099 362 HA THR 47 HA THR 47 -14.474 -9.933 -9.933 363 HB THR 47 HB THR 47 -13.465 -9.363 -9.363 364 HG1 THR 47 1HG THR 47 -11.976 -10.642 -10.642 365 1HG2 THR 47 1HG2 THR 47 -14.480 -11.922 -11.922 366 2HG2 THR 47 3HG2 THR 47 -13.407 -10.776 -10.776 367 3HG2 THR 47 2HG2 THR 47 -15.040 -10.287 -10.287 368 H THR 48 HN THR 48 -12.867 -11.451 -11.451 369 HA THR 48 HA THR 48 -13.974 -13.757 -13.757 370 HB THR 48 HB THR 48 -11.466 -14.388 -14.388 371 HG1 THR 48 1HG THR 48 -10.080 -13.082 -13.082 372 1HG2 THR 48 3HG2 THR 48 -12.596 -11.850 -11.850 373 2HG2 THR 48 2HG2 THR 48 -11.152 -12.670 -12.670 374 3HG2 THR 48 1HG2 THR 48 -12.720 -13.472 -13.472 375 H ASN 49 HN ASN 49 -11.605 -13.513 -13.513 376 HA ASN 49 HA ASN 49 -12.364 -16.227 -16.227 377 1HB ASN 49 2HB ASN 49 -9.815 -14.804 -14.804 378 2HB ASN 49 1HB ASN 49 -10.090 -15.563 -15.563 379 1HD2 ASN 49 2HD2 ASN 49 -9.449 -17.803 -17.803 380 2HD2 ASN 49 1HD2 ASN 49 -9.792 -16.111 -16.111 381 H MET 50 HN MET 50 -13.782 -16.247 -16.247 382 HA MET 50 HA MET 50 -13.890 -14.016 -14.016 383 1HB MET 50 2HB MET 50 -15.778 -16.005 -16.005 384 2HB MET 50 1HB MET 50 -15.873 -15.794 -15.794 385 1HG MET 50 2HG MET 50 -15.741 -13.278 -13.278 386 2HG MET 50 1HG MET 50 -17.146 -14.262 -14.262 387 1HE MET 50 1HE MET 50 -15.491 -11.915 -11.915 388 2HE MET 50 3HE MET 50 -16.752 -11.321 -11.321 389 3HE MET 50 2HE MET 50 -15.555 -12.473 -12.473 390 H ARG 51 HN ARG 51 -11.780 -16.192 -16.192 391 HA ARG 51 HA ARG 51 -12.214 -17.183 -17.183 392 1HB ARG 51 2HB ARG 51 -10.150 -18.350 -18.350 393 2HB ARG 51 1HB ARG 51 -10.994 -19.101 -19.101 394 1HG ARG 51 2HG ARG 51 -13.014 -19.272 -19.272 395 2HG ARG 51 1HG ARG 51 -12.276 -18.378 -18.378 396 1HD ARG 51 2HD ARG 51 -11.002 -20.150 -20.150 397 2HD ARG 51 1HD ARG 51 -10.891 -20.822 -20.822 398 HE ARG 51 HE ARG 51 -13.528 -21.091 -21.091 399 1HH1 ARG 51 1HH2 ARG 51 -10.444 -22.159 -22.159 400 2HH1 ARG 51 2HH2 ARG 51 -11.073 -23.620 -23.620 401 1HH2 ARG 51 1HH1 ARG 51 -14.368 -23.011 -23.011 402 2HH2 ARG 51 2HH1 ARG 51 -13.304 -24.104 -24.104 403 H ARG 52 HN ARG 52 -9.541 -16.287 -16.287 404 HA ARG 52 HA ARG 52 -7.780 -15.679 -15.679 405 1HB ARG 52 2HB ARG 52 -7.470 -14.846 -14.846 406 2HB ARG 52 1HB ARG 52 -6.200 -15.019 -15.019 407 1HG ARG 52 2HG ARG 52 -5.875 -17.087 -17.087 408 2HG ARG 52 1HG ARG 52 -7.487 -17.507 -17.507 409 1HD ARG 52 2HD ARG 52 -7.166 -18.098 -18.098 410 2HD ARG 52 1HD ARG 52 -8.447 -16.907 -16.907 411 HE ARG 52 HE ARG 52 -7.218 -15.413 -15.413 412 1HH1 ARG 52 1HH2 ARG 52 -5.152 -18.026 -18.026 413 2HH1 ARG 52 2HH2 ARG 52 -3.802 -17.499 -17.499 414 1HH2 ARG 52 1HH1 ARG 52 -5.446 -14.707 -14.707 415 2HH2 ARG 52 2HH1 ARG 52 -3.969 -15.612 -15.612 416 H LEU 53 HN LEU 53 -9.943 -13.853 -13.853 417 HA LEU 53 HA LEU 53 -9.045 -11.336 -11.336 418 1HB LEU 53 2HB LEU 53 -11.113 -11.709 -11.709 419 2HB LEU 53 1HB LEU 53 -10.293 -10.225 -10.225 420 HG LEU 53 HG LEU 53 -9.107 -12.612 -12.612 421 1HD1 LEU 53 1HD1 LEU 53 -10.482 -10.871 -10.871 422 2HD1 LEU 53 3HD1 LEU 53 -9.167 -9.749 -9.749 423 3HD1 LEU 53 2HD1 LEU 53 -8.858 -11.200 -11.200 424 1HD2 LEU 53 3HD2 LEU 53 -7.740 -10.159 -10.159 425 2HD2 LEU 53 2HD2 LEU 53 -7.475 -11.831 -11.831 426 3HD2 LEU 53 1HD2 LEU 53 -7.006 -11.302 -11.302 427 H SER 54 HN SER 54 -10.420 -9.983 -9.983 428 HA SER 54 HA SER 54 -13.100 -10.966 -10.966 429 1HB SER 54 2HB SER 54 -10.822 -10.961 -10.961 430 2HB SER 54 1HB SER 54 -12.221 -10.095 -10.095 431 HG SER 54 HG SER 54 -11.840 -12.716 -12.716 432 H VAL 55 HN VAL 55 -14.552 -9.383 -9.383 433 HA VAL 55 HA VAL 55 -13.587 -6.622 -6.622 434 HB VAL 55 HB VAL 55 -14.182 -6.758 -6.758 435 1HG1 VAL 55 3HG1 VAL 55 -15.564 -8.905 -8.905 436 2HG1 VAL 55 2HG1 VAL 55 -16.924 -7.791 -7.791 437 3HG1 VAL 55 1HG1 VAL 55 -15.995 -7.860 -7.860 438 1HG2 VAL 55 3HG2 VAL 55 -15.034 -4.763 -4.763 439 2HG2 VAL 55 2HG2 VAL 55 -16.045 -5.222 -5.222 440 3HG2 VAL 55 1HG2 VAL 55 -16.569 -5.590 -5.590 441 H ASP 56 HN ASP 56 -15.188 -5.133 -5.133 442 HA ASP 56 HA ASP 56 -17.618 -5.983 -5.983 443 1HB ASP 56 2HB ASP 56 -16.139 -7.180 -7.180 444 2HB ASP 56 1HB ASP 56 -15.296 -5.679 -5.679 445 HA PRO 57 HA PRO 57 -19.347 -5.150 -5.150 446 1HB PRO 57 2HB PRO 57 -21.329 -3.616 -3.616 447 2HB PRO 57 1HB PRO 57 -20.721 -3.413 -3.413 448 1HG PRO 57 2HG PRO 57 -20.066 -1.846 -1.846 449 2HG PRO 57 1HG PRO 57 -20.403 -1.261 -1.261 450 1HD PRO 57 2HD PRO 57 -17.887 -1.503 -1.503 451 2HD PRO 57 1HD PRO 57 -18.271 -1.715 -1.715 452 HA PRO 58 HA PRO 58 -19.321 -6.702 -6.702 453 1HB PRO 58 2HB PRO 58 -21.100 -8.694 -8.694 454 2HB PRO 58 1HB PRO 58 -19.514 -8.754 -8.754 455 1HG PRO 58 2HG PRO 58 -22.175 -8.043 -8.043 456 2HG PRO 58 1HG PRO 58 -20.887 -9.054 -9.054 457 1HD PRO 58 2HD PRO 58 -21.291 -6.432 -6.432 458 2HD PRO 58 1HD PRO 58 -19.716 -7.244 -7.244 459 H CYS 59 HN CYS 59 -21.850 -4.932 -4.932 460 HA CYS 59 HA CYS 59 -22.923 -4.168 -4.168 461 1HB CYS 59 2HB CYS 59 -25.220 -5.270 -5.270 462 2HB CYS 59 1HB CYS 59 -23.912 -6.282 -6.282 463 HG CYS 59 HG CYS 59 -23.910 -6.844 -6.844 464 H GLY 60 HN GLY 60 -25.252 -3.167 -3.167 465 1HA GLY 60 2HA GLY 60 -26.407 -2.440 -2.440 466 2HA GLY 60 1HA GLY 60 -24.959 -1.444 -1.444 467 H VAL 61 HN VAL 61 -27.390 -0.231 -0.231 468 HA VAL 61 HA VAL 61 -27.963 0.622 0.622 469 HB VAL 61 HB VAL 61 -29.442 1.555 1.555 470 1HG1 VAL 61 2HG1 VAL 61 -29.624 2.145 2.145 471 2HG1 VAL 61 1HG1 VAL 61 -30.988 1.080 1.080 472 3HG1 VAL 61 3HG1 VAL 61 -30.780 2.567 2.567 473 1HG2 VAL 61 1HG2 VAL 61 -29.312 -1.133 -1.133 474 2HG2 VAL 61 3HG2 VAL 61 -30.147 -0.517 -0.517 475 3HG2 VAL 61 2HG2 VAL 61 -30.945 -0.483 -0.483 476 H LEU 62 HN LEU 62 -27.299 2.518 2.518 477 HA LEU 62 HA LEU 62 -25.976 4.382 4.382 478 1HB LEU 62 2HB LEU 62 -25.371 3.405 3.405 479 2HB LEU 62 1HB LEU 62 -25.468 5.156 5.156 480 HG LEU 62 HG LEU 62 -23.852 3.878 3.878 481 1HD1 LEU 62 3HD1 LEU 62 -23.424 3.291 3.291 482 2HD1 LEU 62 2HD1 LEU 62 -22.143 4.378 4.378 483 3HD1 LEU 62 1HD1 LEU 62 -22.427 2.859 2.859 484 1HD2 LEU 62 2HD2 LEU 62 -24.365 6.443 6.443 485 2HD2 LEU 62 1HD2 LEU 62 -22.922 5.918 5.918 486 3HD2 LEU 62 3HD2 LEU 62 -22.864 6.153 6.153 487 H ASP 63 HN ASP 63 -26.943 6.229 6.229 488 HA ASP 63 HA ASP 63 -29.377 7.006 7.006 489 1HB ASP 63 2HB ASP 63 -28.112 7.526 7.526 490 2HB ASP 63 1HB ASP 63 -28.524 9.058 9.058 491 HA PRO 64 HA PRO 64 -28.050 10.176 10.176 492 1HB PRO 64 2HB PRO 64 -29.484 12.289 12.289 493 2HB PRO 64 1HB PRO 64 -29.708 11.735 11.735 494 1HG PRO 64 2HG PRO 64 -31.487 11.151 11.151 495 2HG PRO 64 1HG PRO 64 -31.094 9.993 9.993 496 1HD PRO 64 2HD PRO 64 -30.175 10.052 10.052 497 2HD PRO 64 1HD PRO 64 -30.643 8.665 8.665 498 H LYS 65 HN LYS 65 -25.966 10.755 10.755 499 HA LYS 65 HA LYS 65 -24.100 11.978 11.978 500 1HB LYS 65 2HB LYS 65 -26.147 13.726 13.726 501 2HB LYS 65 1HB LYS 65 -25.262 13.707 13.707 502 1HG LYS 65 2HG LYS 65 -23.181 14.180 14.180 503 2HG LYS 65 1HG LYS 65 -24.227 14.444 14.444 504 1HD LYS 65 2HD LYS 65 -24.230 16.580 16.580 505 2HD LYS 65 1HD LYS 65 -25.445 16.003 16.003 506 1HE LYS 65 2HE LYS 65 -22.783 15.504 15.504 507 2HE LYS 65 1HE LYS 65 -22.994 17.209 17.209 508 1HZ LYS 65 2HZ LYS 65 -25.291 16.423 16.423 509 2HZ LYS 65 1HZ LYS 65 -24.008 15.760 15.760 510 3HZ LYS 65 3HZ LYS 65 -24.061 17.426 17.426 511 H GLU 66 HN GLU 66 -24.957 9.643 9.643 512 HA GLU 66 HA GLU 66 -23.793 10.221 10.221 513 1HB GLU 66 2HB GLU 66 -25.692 8.269 8.269 514 2HB GLU 66 1HB GLU 66 -24.444 7.524 7.524 515 1HG GLU 66 2HG GLU 66 -25.248 9.794 9.794 516 2HG GLU 66 1HG GLU 66 -26.732 9.067 9.067 517 H LYS 67 HN LYS 67 -22.003 9.095 9.095 518 HA LYS 67 HA LYS 67 -20.381 7.722 7.722 519 1HB LYS 67 2HB LYS 67 -18.415 8.601 8.601 520 2HB LYS 67 1HB LYS 67 -19.216 9.707 9.707 521 1HG LYS 67 2HG LYS 67 -20.624 10.447 10.447 522 2HG LYS 67 1HG LYS 67 -19.502 9.541 9.541 523 1HD LYS 67 2HD LYS 67 -18.055 11.229 11.229 524 2HD LYS 67 1HD LYS 67 -18.012 11.177 11.177 525 1HE LYS 67 2HE LYS 67 -20.333 12.474 12.474 526 2HE LYS 67 1HE LYS 67 -18.797 13.337 13.337 527 1HZ LYS 67 1HZ LYS 67 -19.494 12.210 12.210 528 2HZ LYS 67 3HZ LYS 67 -20.679 13.281 13.281 529 3HZ LYS 67 2HZ LYS 67 -19.079 13.801 13.801 530 H VAL 68 HN VAL 68 -19.730 5.727 5.727 531 HA VAL 68 HA VAL 68 -19.916 4.832 4.832 532 HB VAL 68 HB VAL 68 -20.272 2.525 2.525 533 1HG1 VAL 68 1HG1 VAL 68 -22.048 4.474 4.474 534 2HG1 VAL 68 3HG1 VAL 68 -22.619 4.023 4.023 535 3HG1 VAL 68 2HG1 VAL 68 -22.466 2.796 2.796 536 1HG2 VAL 68 3HG2 VAL 68 -19.493 3.104 3.104 537 2HG2 VAL 68 2HG2 VAL 68 -21.092 2.358 2.358 538 3HG2 VAL 68 1HG2 VAL 68 -20.934 4.101 4.101 539 H LEU 69 HN LEU 69 -18.224 3.730 3.730 540 HA LEU 69 HA LEU 69 -15.773 3.660 3.660 541 1HB LEU 69 2HB LEU 69 -15.951 4.722 4.722 542 2HB LEU 69 1HB LEU 69 -16.011 3.083 3.083 543 HG LEU 69 HG LEU 69 -13.800 2.673 2.673 544 1HD1 LEU 69 3HD1 LEU 69 -14.343 5.281 5.281 545 2HD1 LEU 69 2HD1 LEU 69 -12.869 5.336 5.336 546 3HD1 LEU 69 1HD1 LEU 69 -13.001 4.201 4.201 547 1HD2 LEU 69 1HD2 LEU 69 -13.963 4.771 4.771 548 2HD2 LEU 69 3HD2 LEU 69 -13.909 3.023 3.023 549 3HD2 LEU 69 2HD2 LEU 69 -12.506 3.872 3.872 550 H MET 70 HN MET 70 -15.031 1.836 1.836 551 HA MET 70 HA MET 70 -15.932 -0.723 -0.723 552 1HB MET 70 2HB MET 70 -15.997 -1.692 -1.692 553 2HB MET 70 1HB MET 70 -16.863 -0.165 -0.165 554 1HG MET 70 2HG MET 70 -15.562 0.452 0.452 555 2HG MET 70 1HG MET 70 -14.157 0.359 0.359 556 1HE MET 70 2HE MET 70 -15.855 -0.491 -0.491 557 2HE MET 70 1HE MET 70 -14.335 -0.925 -0.925 558 3HE MET 70 3HE MET 70 -15.556 -2.161 -2.161 559 H ALA 71 HN ALA 71 -14.457 -2.545 -2.545 560 HA ALA 71 HA ALA 71 -11.643 -1.733 -1.733 561 1HB ALA 71 2HB ALA 71 -12.199 -1.843 -1.843 562 2HB ALA 71 1HB ALA 71 -12.708 -3.519 -3.519 563 3HB ALA 71 3HB ALA 71 -11.021 -3.071 -3.071 564 H VAL 72 HN VAL 72 -10.184 -3.423 -3.423 565 HA VAL 72 HA VAL 72 -11.421 -5.889 -5.889 566 HB VAL 72 HB VAL 72 -9.450 -4.192 -4.192 567 1HG1 VAL 72 3HG1 VAL 72 -10.086 -6.989 -6.989 568 2HG1 VAL 72 2HG1 VAL 72 -10.566 -6.177 -6.177 569 3HG1 VAL 72 1HG1 VAL 72 -8.901 -6.062 -6.062 570 1HG2 VAL 72 3HG2 VAL 72 -12.396 -4.690 -4.690 571 2HG2 VAL 72 2HG2 VAL 72 -11.546 -3.149 -3.149 572 3HG2 VAL 72 1HG2 VAL 72 -11.385 -4.143 -4.143 573 H SER 73 HN SER 73 -10.530 -7.037 -7.037 574 HA SER 73 HA SER 73 -7.756 -6.891 -6.891 575 1HB SER 73 2HB SER 73 -8.290 -8.959 -8.959 576 2HB SER 73 1HB SER 73 -9.258 -7.533 -7.533 577 HG SER 73 HG SER 73 -10.972 -8.586 -8.586 578 H CYS 74 HN CYS 74 -6.086 -8.198 -8.198 579 HA CYS 74 HA CYS 74 -6.625 -10.384 -10.384 580 1HB CYS 74 2HB CYS 74 -4.816 -8.034 -8.034 581 2HB CYS 74 1HB CYS 74 -4.292 -9.582 -9.582 582 HG CYS 74 HG CYS 74 -6.943 -9.241 -9.241 583 H ASP 75 HN ASP 75 -5.140 -12.113 -12.113 584 HA ASP 75 HA ASP 75 -3.613 -12.260 -12.260 585 1HB ASP 75 2HB ASP 75 -4.514 -14.487 -14.487 586 2HB ASP 75 1HB ASP 75 -3.697 -14.695 -14.695 587 H THR 76 HN THR 76 -1.488 -13.027 -13.027 588 HA THR 76 HA THR 76 0.136 -12.237 -12.237 589 HB THR 76 HB THR 76 1.942 -12.567 -12.567 590 HG1 THR 76 1HG THR 76 2.174 -14.239 -14.239 591 1HG2 THR 76 1HG2 THR 76 -0.283 -11.471 -11.471 592 2HG2 THR 76 3HG2 THR 76 0.385 -12.597 -12.597 593 3HG2 THR 76 2HG2 THR 76 1.400 -11.321 -11.321 594 H PHE 77 HN PHE 77 0.844 -13.405 -13.405 595 HA PHE 77 HA PHE 77 1.010 -16.312 -16.312 596 1HB PHE 77 2HB PHE 77 -0.279 -16.744 -16.744 597 2HB PHE 77 1HB PHE 77 -1.255 -15.712 -15.712 598 HD1 PHE 77 2HD PHE 77 -1.601 -13.349 -13.349 599 HD2 PHE 77 1HD PHE 77 0.491 -15.995 -15.995 600 HE1 PHE 77 2HE PHE 77 -1.881 -11.750 -11.750 601 HE2 PHE 77 1HE PHE 77 0.216 -14.401 -14.401 602 HZ PHE 77 HZ PHE 77 -0.971 -12.276 -12.276 603 H ASN 78 HN ASN 78 1.702 -17.047 -17.047 604 HA ASN 78 HA ASN 78 3.920 -15.280 -15.280 605 1HB ASN 78 2HB ASN 78 3.990 -18.160 -18.160 606 2HB ASN 78 1HB ASN 78 5.063 -17.623 -17.623 607 1HD2 ASN 78 2HD2 ASN 78 7.362 -16.183 -16.183 608 2HD2 ASN 78 1HD2 ASN 78 6.920 -16.696 -16.696 609 H ALA 79 HN ALA 79 3.815 -14.743 -14.743 610 HA ALA 79 HA ALA 79 1.934 -15.858 -15.858 611 1HB ALA 79 2HB ALA 79 4.099 -13.835 -13.835 612 2HB ALA 79 1HB ALA 79 3.477 -14.517 -14.517 613 3HB ALA 79 3HB ALA 79 2.384 -13.697 -13.697 614 H ALA 80 HN ALA 80 5.157 -16.748 -16.748 615 HA ALA 80 HA ALA 80 6.120 -17.898 -17.898 616 1HB ALA 80 1HB ALA 80 6.836 -17.886 -17.886 617 2HB ALA 80 3HB ALA 80 6.734 -19.586 -19.586 618 3HB ALA 80 2HB ALA 80 7.785 -18.488 -18.488 619 H THR 81 HN THR 81 3.928 -19.310 -19.310 620 HA THR 81 HA THR 81 3.102 -21.269 -21.269 621 HB THR 81 HB THR 81 3.184 -23.097 -23.097 622 HG1 THR 81 1HG THR 81 4.135 -22.774 -22.774 623 1HG2 THR 81 1HG2 THR 81 5.221 -22.440 -22.440 624 2HG2 THR 81 3HG2 THR 81 5.894 -21.845 -21.845 625 3HG2 THR 81 2HG2 THR 81 5.452 -23.546 -23.546 626 H GLU 82 HN GLU 82 1.395 -19.485 -19.485 627 HA GLU 82 HA GLU 82 -0.770 -20.472 -20.472 628 1HB GLU 82 2HB GLU 82 0.358 -17.694 -17.694 629 2HB GLU 82 1HB GLU 82 -1.330 -18.016 -18.016 630 1HG GLU 82 2HG GLU 82 1.076 -19.225 -19.225 631 2HG GLU 82 1HG GLU 82 -0.032 -18.036 -18.036 632 H ASP 83 HN ASP 83 -2.848 -19.199 -19.199 633 HA ASP 83 HA ASP 83 -3.216 -19.337 -19.337 634 1HB ASP 83 2HB ASP 83 -4.953 -18.765 -18.765 635 2HB ASP 83 1HB ASP 83 -5.529 -18.280 -18.280 636 H LEU 84 HN LEU 84 -3.373 -17.748 -17.748 637 HA LEU 84 HA LEU 84 -3.569 -14.967 -14.967 638 1HB LEU 84 2HB LEU 84 -1.143 -16.034 -16.034 639 2HB LEU 84 1HB LEU 84 -1.535 -14.333 -14.333 640 HG LEU 84 HG LEU 84 -1.100 -16.119 -16.119 641 1HD1 LEU 84 2HD1 LEU 84 0.836 -15.315 -15.315 642 2HD1 LEU 84 1HD1 LEU 84 1.087 -14.356 -14.356 643 3HD1 LEU 84 3HD1 LEU 84 1.086 -16.117 -16.117 644 1HD2 LEU 84 1HD2 LEU 84 -1.253 -13.150 -13.150 645 2HD2 LEU 84 3HD2 LEU 84 -2.239 -14.154 -14.154 646 3HD2 LEU 84 2HD2 LEU 84 -0.545 -13.857 -13.857 647 H ASN 85 HN ASN 85 -5.512 -15.072 -15.072 648 HA ASN 85 HA ASN 85 -5.169 -15.186 -15.186 649 1HB ASN 85 2HB ASN 85 -7.535 -15.987 -15.987 650 2HB ASN 85 1HB ASN 85 -7.644 -15.740 -15.740 651 1HD2 ASN 85 2HD2 ASN 85 -6.465 -18.877 -18.877 652 2HD2 ASN 85 1HD2 ASN 85 -7.240 -17.409 -17.409 653 H ASN 86 HN ASN 86 -4.951 -12.967 -12.967 654 HA ASN 86 HA ASN 86 -5.320 -10.729 -10.729 655 1HB ASN 86 2HB ASN 86 -7.363 -10.870 -10.870 656 2HB ASN 86 1HB ASN 86 -6.095 -9.683 -9.683 657 1HD2 ASN 86 2HD2 ASN 86 -3.692 -12.285 -12.285 658 2HD2 ASN 86 1HD2 ASN 86 -4.002 -11.669 -11.669 659 H ASP 87 HN ASP 87 -6.296 -10.703 -10.703 660 HA ASP 87 HA ASP 87 -9.041 -11.359 -11.359 661 1HB ASP 87 2HB ASP 87 -6.988 -9.911 -9.911 662 2HB ASP 87 1HB ASP 87 -8.647 -10.145 -10.145 663 H ARG 88 HN ARG 88 -10.767 -9.904 -9.904 664 HA ARG 88 HA ARG 88 -10.426 -7.083 -7.083 665 1HB ARG 88 2HB ARG 88 -12.022 -6.989 -6.989 666 2HB ARG 88 1HB ARG 88 -10.572 -7.895 -7.895 667 1HG ARG 88 2HG ARG 88 -11.811 -9.993 -9.993 668 2HG ARG 88 1HG ARG 88 -13.267 -9.035 -9.035 669 1HD ARG 88 2HD ARG 88 -11.913 -8.371 -8.371 670 2HD ARG 88 1HD ARG 88 -12.433 -10.054 -10.054 671 HE ARG 88 HE ARG 88 -14.625 -8.701 -8.701 672 1HH1 ARG 88 1HH2 ARG 88 -12.537 -8.416 -8.416 673 2HH1 ARG 88 2HH2 ARG 88 -13.786 -7.821 -7.821 674 1HH2 ARG 88 1HH1 ARG 88 -16.278 -7.921 -7.921 675 2HH2 ARG 88 2HH1 ARG 88 -15.914 -7.540 -7.540 676 H ILE 89 HN ILE 89 -11.836 -5.933 -5.933 677 HA ILE 89 HA ILE 89 -13.904 -7.313 -7.313 678 HB ILE 89 HB ILE 89 -13.240 -4.369 -4.369 679 1HG1 ILE 89 2HG1 ILE 89 -11.288 -5.956 -5.956 680 2HG1 ILE 89 1HG1 ILE 89 -11.655 -4.752 -4.752 681 1HG2 ILE 89 1HG2 ILE 89 -14.862 -6.193 -6.193 682 2HG2 ILE 89 3HG2 ILE 89 -14.117 -4.752 -4.752 683 3HG2 ILE 89 2HG2 ILE 89 -15.266 -4.601 -4.601 684 1HD1 ILE 89 2HD1 ILE 89 -13.138 -7.118 -7.118 685 2HD1 ILE 89 1HD1 ILE 89 -11.448 -7.544 -7.544 686 3HD1 ILE 89 3HD1 ILE 89 -11.871 -6.346 -6.346 687 H THR 90 HN THR 90 -16.114 -6.316 -6.316 688 HA THR 90 HA THR 90 -16.931 -4.880 -4.880 689 HB THR 90 HB THR 90 -18.179 -7.498 -7.498 690 HG1 THR 90 1HG THR 90 -16.391 -8.011 -8.011 691 1HG2 THR 90 1HG2 THR 90 -19.223 -5.364 -5.364 692 2HG2 THR 90 3HG2 THR 90 -18.999 -6.817 -6.817 693 3HG2 THR 90 2HG2 THR 90 -19.983 -6.878 -6.878 694 H ILE 91 HN ILE 91 -18.116 -3.221 -3.221 695 HA ILE 91 HA ILE 91 -19.793 -3.473 -3.473 696 HB ILE 91 HB ILE 91 -18.628 -0.939 -0.939 697 1HG1 ILE 91 2HG1 ILE 91 -17.427 -1.132 -1.132 698 2HG1 ILE 91 1HG1 ILE 91 -17.654 -2.851 -2.851 699 1HG2 ILE 91 2HG2 ILE 91 -20.797 -0.752 -0.752 700 2HG2 ILE 91 1HG2 ILE 91 -19.966 -1.361 -1.361 701 3HG2 ILE 91 3HG2 ILE 91 -19.467 0.167 0.167 702 1HD1 ILE 91 1HD1 ILE 91 -16.545 -2.419 -2.419 703 2HD1 ILE 91 3HD1 ILE 91 -16.059 -0.864 -0.864 704 3HD1 ILE 91 2HD1 ILE 91 -15.523 -2.362 -2.362 705 H GLU 92 HN GLU 92 -21.724 -4.077 -4.077 706 HA GLU 92 HA GLU 92 -22.796 -2.399 -2.399 707 1HB GLU 92 2HB GLU 92 -24.077 -4.940 -4.940 708 2HB GLU 92 1HB GLU 92 -24.171 -4.176 -4.176 709 1HG GLU 92 2HG GLU 92 -21.882 -4.803 -4.803 710 2HG GLU 92 1HG GLU 92 -21.720 -5.500 -5.500 711 H TRP 93 HN TRP 93 -24.538 -1.130 -1.130 712 HA TRP 93 HA TRP 93 -26.140 -1.459 -1.459 713 1HB TRP 93 2HB TRP 93 -25.995 0.859 0.859 714 2HB TRP 93 1HB TRP 93 -24.351 0.263 0.263 715 HD1 TRP 93 1HD TRP 93 -26.548 3.030 3.030 716 HE1 TRP 93 1HE TRP 93 -25.452 4.398 4.398 717 HE3 TRP 93 3HE TRP 93 -22.778 -0.188 -0.188 718 HZ2 TRP 93 2HZ TRP 93 -23.278 4.147 4.147 719 HZ3 TRP 93 3HZ TRP 93 -21.234 0.452 0.452 720 HH2 TRP 93 2HH TRP 93 -21.481 2.575 2.575 721 H THR 94 HN THR 94 -28.230 -0.457 -0.457 722 HA THR 94 HA THR 94 -29.097 0.559 0.559 723 HB THR 94 HB THR 94 -29.531 -1.710 -1.710 724 HG1 THR 94 1HG THR 94 -31.497 -1.262 -1.262 725 1HG2 THR 94 2HG2 THR 94 -29.923 -1.911 -1.911 726 2HG2 THR 94 1HG2 THR 94 -31.133 -2.788 -2.788 727 3HG2 THR 94 3HG2 THR 94 -29.419 -3.131 -3.131 728 H ASN 95 HN ASN 95 -31.088 1.679 1.679 729 HA ASN 95 HA ASN 95 -31.555 3.191 3.191 730 1HB ASN 95 2HB ASN 95 -32.914 2.777 2.777 731 2HB ASN 95 1HB ASN 95 -33.950 3.364 3.364 732 1HD2 ASN 95 2HD2 ASN 95 -32.533 6.264 6.264 733 2HD2 ASN 95 1HD2 ASN 95 -33.515 4.905 4.905 734 H THR 96 HN THR 96 -33.261 3.221 3.221 735 HA THR 96 HA THR 96 -34.260 0.551 0.551 736 HB THR 96 HB THR 96 -35.018 2.053 2.053 737 HG1 THR 96 1HG THR 96 -34.201 3.980 3.980 738 1HG2 THR 96 2HG2 THR 96 -32.690 0.423 0.423 739 2HG2 THR 96 1HG2 THR 96 -32.388 1.639 1.639 740 3HG2 THR 96 3HG2 THR 96 -33.702 0.480 0.480 741 HA PRO 97 HA PRO 97 -38.359 1.459 1.459 742 1HB PRO 97 2HB PRO 97 -39.759 -0.194 -0.194 743 2HB PRO 97 1HB PRO 97 -38.881 -0.757 -0.757 744 1HG PRO 97 2HG PRO 97 -38.049 -0.791 -0.791 745 2HG PRO 97 1HG PRO 97 -37.847 -2.043 -2.043 746 1HD PRO 97 2HD PRO 97 -35.826 -0.419 -0.419 747 2HD PRO 97 1HD PRO 97 -36.011 -0.996 -0.996 748 H ASP 98 HN ASP 98 -40.298 2.496 2.496 749 HA ASP 98 HA ASP 98 -40.072 4.566 4.566 750 1HB ASP 98 2HB ASP 98 -42.492 4.824 4.824 751 2HB ASP 98 1HB ASP 98 -41.813 4.423 4.423 752 H GLY 99 HN GLY 99 -40.158 4.772 4.772 753 1HA GLY 99 2HA GLY 99 -40.427 4.253 4.253 754 2HA GLY 99 1HA GLY 99 -41.823 3.310 3.310 755 H ALA 100 HN ALA 100 -38.523 2.727 2.727 756 HA ALA 100 HA ALA 100 -38.610 -0.018 -0.018 757 1HB ALA 100 3HB ALA 100 -36.613 1.906 1.906 758 2HB ALA 100 2HB ALA 100 -35.931 0.554 0.554 759 3HB ALA 100 1HB ALA 100 -36.920 0.249 0.249 760 H ALA 101 HN ALA 101 -38.348 -1.158 -1.158 761 HA ALA 101 HA ALA 101 -38.138 0.001 0.001 762 1HB ALA 101 3HB ALA 101 -39.034 -2.300 -2.300 763 2HB ALA 101 2HB ALA 101 -37.353 -2.835 -2.835 764 3HB ALA 101 1HB ALA 101 -38.098 -2.174 -2.174 765 H LYS 102 HN LYS 102 -36.468 -0.558 -0.558 766 HA LYS 102 HA LYS 102 -33.875 0.236 0.236 767 1HB LYS 102 2HB LYS 102 -34.787 -0.238 -0.238 768 2HB LYS 102 1HB LYS 102 -33.244 0.458 0.458 769 1HG LYS 102 2HG LYS 102 -35.913 1.677 1.677 770 2HG LYS 102 1HG LYS 102 -34.943 2.116 2.116 771 1HD LYS 102 2HD LYS 102 -33.384 3.215 3.215 772 2HD LYS 102 1HD LYS 102 -33.604 2.162 2.162 773 1HE LYS 102 2HE LYS 102 -34.740 3.855 3.855 774 2HE LYS 102 1HE LYS 102 -36.035 3.433 3.433 775 1HZ LYS 102 1HZ LYS 102 -34.400 4.987 4.987 776 2HZ LYS 102 3HZ LYS 102 -34.308 5.728 5.728 777 3HZ LYS 102 2HZ LYS 102 -35.810 5.512 5.512 778 H GLN 103 HN GLN 103 -33.739 -1.850 -1.850 779 HA GLN 103 HA GLN 103 -31.866 -3.540 -3.540 780 1HB GLN 103 2HB GLN 103 -33.277 -5.647 -5.647 781 2HB GLN 103 1HB GLN 103 -33.608 -4.513 -4.513 782 1HG GLN 103 2HG GLN 103 -35.435 -3.610 -3.610 783 2HG GLN 103 1HG GLN 103 -35.257 -5.184 -5.184 784 1HE2 GLN 103 2HE2 GLN 103 -37.356 -4.782 -4.782 785 2HE2 GLN 103 1HE2 GLN 103 -36.672 -3.450 -3.450 786 H PHE 104 HN PHE 104 -30.670 -4.405 -4.405 787 HA PHE 104 HA PHE 104 -31.085 -3.936 -3.936 788 1HB PHE 104 2HB PHE 104 -28.902 -4.544 -4.544 789 2HB PHE 104 1HB PHE 104 -29.483 -6.165 -6.165 790 HD1 PHE 104 1HD PHE 104 -28.855 -3.815 -3.815 791 HD2 PHE 104 2HD PHE 104 -29.329 -7.866 -7.866 792 HE1 PHE 104 1HE PHE 104 -28.144 -4.564 -4.564 793 HE2 PHE 104 2HE PHE 104 -28.619 -8.622 -8.622 794 HZ PHE 104 HZ PHE 104 -28.024 -6.971 -6.971 795 H ARG 105 HN ARG 105 -31.693 -5.271 -5.271 796 HA ARG 105 HA ARG 105 -33.220 -7.683 -7.683 797 1HB ARG 105 2HB ARG 105 -34.350 -5.186 -5.186 798 2HB ARG 105 1HB ARG 105 -34.594 -6.348 -6.348 799 1HG ARG 105 2HG ARG 105 -35.465 -7.915 -7.915 800 2HG ARG 105 1HG ARG 105 -35.565 -6.462 -6.462 801 1HD ARG 105 2HD ARG 105 -36.706 -6.007 -6.007 802 2HD ARG 105 1HD ARG 105 -37.457 -7.399 -7.399 803 HE ARG 105 HE ARG 105 -37.830 -4.675 -4.675 804 1HH1 ARG 105 1HH2 ARG 105 -37.548 -7.849 -7.849 805 2HH1 ARG 105 2HH2 ARG 105 -38.499 -7.459 -7.459 806 1HH2 ARG 105 1HH1 ARG 105 -39.084 -4.149 -4.149 807 2HH2 ARG 105 2HH1 ARG 105 -39.374 -5.355 -5.355 808 H ARG 106 HN ARG 106 -33.571 -9.120 -9.120 809 HA ARG 106 HA ARG 106 -31.359 -9.052 -9.052 810 1HB ARG 106 2HB ARG 106 -32.589 -11.083 -11.083 811 2HB ARG 106 1HB ARG 106 -33.213 -11.300 -11.300 812 1HG ARG 106 2HG ARG 106 -31.026 -11.549 -11.549 813 2HG ARG 106 1HG ARG 106 -30.285 -11.050 -11.050 814 1HD ARG 106 2HD ARG 106 -30.110 -13.427 -13.427 815 2HD ARG 106 1HD ARG 106 -31.313 -13.052 -13.052 816 HE ARG 106 HE ARG 106 -32.480 -13.462 -13.462 817 1HH1 ARG 106 1HH2 ARG 106 -31.232 -15.077 -15.077 818 2HH1 ARG 106 2HH2 ARG 106 -32.187 -16.503 -16.503 819 1HH2 ARG 106 1HH1 ARG 106 -33.744 -15.335 -15.335 820 2HH2 ARG 106 2HH1 ARG 106 -33.616 -16.650 -16.650 821 H GLU 107 HN GLU 107 -34.865 -8.880 -8.880 822 HA GLU 107 HA GLU 107 -35.304 -9.200 -9.200 823 1HB GLU 107 2HB GLU 107 -37.490 -8.270 -8.270 824 2HB GLU 107 1HB GLU 107 -37.071 -9.307 -9.307 825 1HG GLU 107 2HG GLU 107 -36.335 -7.216 -7.216 826 2HG GLU 107 1HG GLU 107 -37.100 -6.308 -6.308 827 H TRP 108 HN TRP 108 -34.132 -6.531 -6.531 828 HA TRP 108 HA TRP 108 -34.785 -4.335 -4.335 829 1HB TRP 108 2HB TRP 108 -32.353 -5.033 -5.033 830 2HB TRP 108 1HB TRP 108 -32.401 -3.526 -3.526 831 HD1 TRP 108 1HD TRP 108 -35.819 -3.845 -3.845 832 HE1 TRP 108 1HE TRP 108 -36.350 -2.629 -2.629 833 HE3 TRP 108 3HE TRP 108 -31.057 -3.227 -3.227 834 HZ2 TRP 108 2HZ TRP 108 -34.938 -1.550 -1.550 835 HZ3 TRP 108 3HZ TRP 108 -30.734 -2.092 -2.092 836 HH2 TRP 108 2HH TRP 108 -32.635 -1.272 -1.272 837 H PHE 109 HN PHE 109 -32.380 -6.806 -6.806 838 HA PHE 109 HA PHE 109 -31.468 -5.387 -5.387 839 1HB PHE 109 2HB PHE 109 -30.527 -7.944 -7.944 840 2HB PHE 109 1HB PHE 109 -29.842 -7.289 -7.289 841 HD1 PHE 109 1HD PHE 109 -30.705 -6.050 -6.050 842 HD2 PHE 109 2HD PHE 109 -27.882 -6.141 -6.141 843 HE1 PHE 109 1HE PHE 109 -29.170 -4.660 -4.660 844 HE2 PHE 109 2HE PHE 109 -26.341 -4.751 -4.751 845 HZ PHE 109 HZ PHE 109 -26.985 -4.009 -4.009 846 H GLN 110 HN GLN 110 -33.321 -8.203 -8.203 847 HA GLN 110 HA GLN 110 -33.602 -9.059 -9.059 848 1HB GLN 110 2HB GLN 110 -34.751 -10.294 -10.294 849 2HB GLN 110 1HB GLN 110 -34.741 -11.012 -11.012 850 1HG GLN 110 2HG GLN 110 -32.191 -10.259 -10.259 851 2HG GLN 110 1HG GLN 110 -32.998 -11.791 -11.791 852 1HE2 GLN 110 2HE2 GLN 110 -31.186 -13.202 -13.202 853 2HE2 GLN 110 1HE2 GLN 110 -31.605 -13.187 -13.187 854 H GLY 111 HN GLY 111 -34.687 -6.614 -6.614 855 1HA GLY 111 2HA GLY 111 -37.520 -7.177 -7.177 856 2HA GLY 111 1HA GLY 111 -37.128 -6.010 -6.010 857 H ASP 112 HN ASP 112 -37.693 -4.082 -4.082 858 HA ASP 112 HA ASP 112 -37.018 -3.436 -3.436 859 1HB ASP 112 2HB ASP 112 -39.061 -2.449 -2.449 860 2HB ASP 112 1HB ASP 112 -38.469 -1.324 -1.324 861 H GLY 113 HN GLY 113 -35.950 -1.481 -1.481 862 1HA GLY 113 2HA GLY 113 -34.841 0.555 0.555 863 2HA GLY 113 1HA GLY 113 -34.575 -0.147 -0.147 864 H MET 114 HN MET 114 -32.802 0.984 0.984 865 HA MET 114 HA MET 114 -31.174 -1.193 -1.193 866 1HB MET 114 2HB MET 114 -30.283 1.678 1.678 867 2HB MET 114 1HB MET 114 -29.767 0.435 0.435 868 1HG MET 114 2HG MET 114 -32.067 0.438 0.438 869 2HG MET 114 1HG MET 114 -32.440 1.810 1.810 870 1HE MET 114 2HE MET 114 -33.213 3.230 3.230 871 2HE MET 114 1HE MET 114 -32.263 4.061 4.061 872 3HE MET 114 3HE MET 114 -32.863 2.430 2.430 873 H VAL 115 HN VAL 115 -29.507 -2.159 -2.159 874 HA VAL 115 HA VAL 115 -28.622 -1.058 -1.058 875 HB VAL 115 HB VAL 115 -28.278 -3.907 -3.907 876 1HG1 VAL 115 1HG1 VAL 115 -27.358 -2.413 -2.413 877 2HG1 VAL 115 3HG1 VAL 115 -28.496 -3.636 -3.636 878 3HG1 VAL 115 2HG1 VAL 115 -27.087 -4.113 -4.113 879 1HG2 VAL 115 1HG2 VAL 115 -30.508 -2.743 -2.743 880 2HG2 VAL 115 3HG2 VAL 115 -30.658 -3.403 -3.403 881 3HG2 VAL 115 2HG2 VAL 115 -30.230 -4.461 -4.461 882 H ARG 116 HN ARG 116 -26.614 -0.322 -0.322 883 HA ARG 116 HA ARG 116 -24.763 -0.714 -0.714 884 1HB ARG 116 2HB ARG 116 -24.662 1.040 1.040 885 2HB ARG 116 1HB ARG 116 -23.365 0.950 0.950 886 1HG ARG 116 2HG ARG 116 -25.603 1.438 1.438 887 2HG ARG 116 1HG ARG 116 -25.863 2.414 2.414 888 1HD ARG 116 2HD ARG 116 -24.667 3.855 3.855 889 2HD ARG 116 1HD ARG 116 -23.402 3.144 3.144 890 HE ARG 116 HE ARG 116 -23.512 1.535 1.535 891 1HH1 ARG 116 1HH2 ARG 116 -23.070 4.948 4.948 892 2HH1 ARG 116 2HH2 ARG 116 -22.085 5.172 5.172 893 1HH2 ARG 116 1HH1 ARG 116 -22.217 1.819 1.819 894 2HH2 ARG 116 2HH1 ARG 116 -21.602 3.393 3.393 895 H ARG 117 HN ARG 117 -22.781 -1.713 -1.713 896 HA ARG 117 HA ARG 117 -22.072 -2.968 -2.968 897 1HB ARG 117 2HB ARG 117 -21.416 -5.027 -5.027 898 2HB ARG 117 1HB ARG 117 -23.115 -4.788 -4.788 899 1HG ARG 117 2HG ARG 117 -23.631 -4.102 -4.102 900 2HG ARG 117 1HG ARG 117 -21.938 -3.810 -3.810 901 1HD ARG 117 2HD ARG 117 -22.450 -5.817 -5.817 902 2HD ARG 117 1HD ARG 117 -21.602 -6.314 -6.314 903 HE ARG 117 HE ARG 117 -23.540 -7.288 -7.288 904 1HH1 ARG 117 1HH2 ARG 117 -24.245 -5.287 -5.287 905 2HH1 ARG 117 2HH2 ARG 117 -25.867 -5.868 -5.868 906 1HH2 ARG 117 1HH1 ARG 117 -25.675 -8.060 -8.060 907 2HH2 ARG 117 2HH1 ARG 117 -26.681 -7.445 -7.445 908 H LYS 118 HN LYS 118 -20.286 -1.735 -1.735 909 HA LYS 118 HA LYS 118 -18.333 -1.337 -1.337 910 1HB LYS 118 2HB LYS 118 -18.616 -0.343 -0.343 911 2HB LYS 118 1HB LYS 118 -17.095 -0.167 -0.167 912 1HG LYS 118 2HG LYS 118 -18.989 0.766 0.766 913 2HG LYS 118 1HG LYS 118 -19.539 1.363 1.363 914 1HD LYS 118 2HD LYS 118 -16.682 1.646 1.646 915 2HD LYS 118 1HD LYS 118 -17.912 2.827 2.827 916 1HE LYS 118 2HE LYS 118 -18.425 3.175 3.175 917 2HE LYS 118 1HE LYS 118 -17.147 2.036 2.036 918 1HZ LYS 118 2HZ LYS 118 -16.726 4.554 4.554 919 2HZ LYS 118 1HZ LYS 118 -16.442 4.370 4.370 920 3HZ LYS 118 3HZ LYS 118 -15.525 3.492 3.492 921 H ASN 119 HN ASN 119 -16.066 -1.840 -1.840 922 HA ASN 119 HA ASN 119 -15.522 -4.024 -4.024 923 1HB ASN 119 2HB ASN 119 -14.266 -5.133 -5.133 924 2HB ASN 119 1HB ASN 119 -15.987 -5.412 -5.412 925 1HD2 ASN 119 2HD2 ASN 119 -16.992 -3.839 -3.839 926 2HD2 ASN 119 1HD2 ASN 119 -17.452 -4.558 -4.558 927 H LEU 120 HN LEU 120 -13.723 -3.566 -3.566 928 HA LEU 120 HA LEU 120 -11.825 -1.672 -1.672 929 1HB LEU 120 2HB LEU 120 -11.637 -2.823 -2.823 930 2HB LEU 120 1HB LEU 120 -11.037 -1.285 -1.285 931 HG LEU 120 HG LEU 120 -13.986 -1.831 -1.831 932 1HD1 LEU 120 1HD1 LEU 120 -12.119 -1.127 -1.127 933 2HD1 LEU 120 3HD1 LEU 120 -13.761 -0.484 -0.484 934 3HD1 LEU 120 2HD1 LEU 120 -13.498 -2.228 -2.228 935 1HD2 LEU 120 3HD2 LEU 120 -12.880 0.143 0.143 936 2HD2 LEU 120 2HD2 LEU 120 -14.225 0.476 0.476 937 3HD2 LEU 120 1HD2 LEU 120 -12.568 0.779 0.779 938 HA PRO 121 HA PRO 121 -9.024 -5.028 -5.028 939 1HB PRO 121 2HB PRO 121 -6.987 -3.610 -3.610 940 2HB PRO 121 1HB PRO 121 -8.525 -3.724 -3.724 941 1HG PRO 121 2HG PRO 121 -7.455 -1.497 -1.497 942 2HG PRO 121 1HG PRO 121 -8.354 -1.418 -1.418 943 1HD PRO 121 2HD PRO 121 -9.458 -1.065 -1.065 944 2HD PRO 121 1HD PRO 121 -10.369 -1.509 -1.509 945 H ILE 122 HN ILE 122 -7.718 -6.142 -6.142 946 HA ILE 122 HA ILE 122 -6.090 -4.664 -4.664 947 HB ILE 122 HB ILE 122 -6.762 -7.550 -7.550 948 1HG1 ILE 122 2HG1 ILE 122 -8.922 -6.454 -6.454 949 2HG1 ILE 122 1HG1 ILE 122 -8.815 -6.979 -6.979 950 1HG2 ILE 122 2HG2 ILE 122 -5.355 -5.621 -5.621 951 2HG2 ILE 122 1HG2 ILE 122 -6.869 -5.819 -5.819 952 3HG2 ILE 122 3HG2 ILE 122 -5.843 -7.218 -7.218 953 1HD1 ILE 122 2HD1 ILE 122 -8.277 -4.682 -4.682 954 2HD1 ILE 122 1HD1 ILE 122 -8.445 -4.174 -4.174 955 3HD1 ILE 122 3HD1 ILE 122 -9.841 -4.803 -4.803 956 H GLU 123 HN GLU 123 -3.969 -4.728 -4.728 957 HA GLU 123 HA GLU 123 -2.890 -7.060 -7.060 958 1HB GLU 123 2HB GLU 123 -2.346 -4.147 -4.147 959 2HB GLU 123 1HB GLU 123 -1.007 -5.259 -5.259 960 1HG GLU 123 2HG GLU 123 -2.327 -6.429 -6.429 961 2HG GLU 123 1HG GLU 123 -3.627 -5.260 -5.260 962 H TYR 124 HN TYR 124 -0.702 -7.673 -7.673 963 HA TYR 124 HA TYR 124 0.005 -7.089 -7.089 964 1HB TYR 124 2HB TYR 124 0.676 -9.563 -9.563 965 2HB TYR 124 1HB TYR 124 1.010 -9.303 -9.303 966 HD1 TYR 124 2HD TYR 124 -1.484 -8.213 -8.213 967 HD2 TYR 124 1HD TYR 124 -0.858 -11.297 -11.297 968 HE1 TYR 124 2HE TYR 124 -3.668 -9.184 -9.184 969 HE2 TYR 124 1HE TYR 124 -3.041 -12.275 -12.275 970 HH TYR 124 HH TYR 124 -5.403 -10.695 -10.695 971 H ASN 125 HN ASN 125 1.614 -5.659 -5.659 972 HA ASN 125 HA ASN 125 3.580 -5.506 -5.506 973 1HB ASN 125 2HB ASN 125 2.881 -3.877 -3.877 974 2HB ASN 125 1HB ASN 125 4.524 -3.751 -3.751 975 1HD2 ASN 125 2HD2 ASN 125 2.921 -1.111 -1.111 976 2HD2 ASN 125 1HD2 ASN 125 3.663 -1.493 -1.493 977 H LEU 126 HN LEU 126 4.511 -7.610 -7.610 978 HA LEU 126 HA LEU 126 5.826 -8.348 -8.348 979 1HB LEU 126 2HB LEU 126 5.915 -9.428 -9.428 980 2HB LEU 126 1HB LEU 126 6.911 -10.088 -10.088 981 HG LEU 126 HG LEU 126 3.902 -9.953 -9.953 982 1HD1 LEU 126 1HD1 LEU 126 4.758 -11.360 -11.360 983 2HD1 LEU 126 3HD1 LEU 126 5.562 -12.365 -12.365 984 3HD1 LEU 126 2HD1 LEU 126 3.804 -12.220 -12.220 985 1HD2 LEU 126 1HD2 LEU 126 6.026 -11.318 -11.318 986 2HD2 LEU 126 3HD2 LEU 126 4.839 -10.127 -10.127 987 3HD2 LEU 126 2HD2 LEU 126 4.318 -11.751 -11.751 988 1H ALA 1 1HN ALA 1 38.514 -13.732 -13.732 989 2H ALA 1 3HN ALA 1 39.149 -14.452 -14.452 990 3H ALA 1 2HN ALA 1 37.814 -15.173 -15.173 991 HA ALA 1 HA ALA 1 36.465 -13.291 -13.291 992 1HB ALA 1 2HB ALA 1 36.700 -15.257 -15.257 993 2HB ALA 1 1HB ALA 1 37.793 -14.260 -14.260 994 3HB ALA 1 3HB ALA 1 36.116 -13.765 -13.765 995 H GLN 2 HN GLN 2 37.768 -11.472 -11.472 996 HA GLN 2 HA GLN 2 38.660 -9.736 -9.736 997 1HB GLN 2 2HB GLN 2 40.499 -8.883 -8.883 998 2HB GLN 2 1HB GLN 2 40.704 -10.567 -10.567 999 1HG GLN 2 2HG GLN 2 39.915 -11.285 -11.285 1000 2HG GLN 2 1HG GLN 2 39.642 -9.606 -9.606 1001 1HE2 GLN 2 2HE2 GLN 2 43.208 -11.286 -11.286 1002 2HE2 GLN 2 1HE2 GLN 2 41.771 -12.148 -12.148 1003 H SER 3 HN SER 3 37.893 -7.704 -7.704 1004 HA SER 3 HA SER 3 36.693 -5.903 -5.903 1005 1HB SER 3 2HB SER 3 37.169 -6.476 -6.476 1006 2HB SER 3 1HB SER 3 37.341 -4.965 -4.965 1007 HG SER 3 HG SER 3 39.324 -5.546 -5.546 1008 H VAL 4 HN VAL 4 34.713 -6.835 -6.835 1009 HA VAL 4 HA VAL 4 32.928 -7.414 -7.414 1010 HB VAL 4 HB VAL 4 33.534 -9.616 -9.616 1011 1HG1 VAL 4 1HG1 VAL 4 34.289 -8.984 -8.984 1012 2HG1 VAL 4 3HG1 VAL 4 32.618 -8.697 -8.697 1013 3HG1 VAL 4 2HG1 VAL 4 33.145 -10.325 -10.325 1014 1HG2 VAL 4 1HG2 VAL 4 30.776 -8.710 -8.710 1015 2HG2 VAL 4 3HG2 VAL 4 31.281 -9.484 -9.484 1016 3HG2 VAL 4 2HG2 VAL 4 31.267 -10.404 -10.404 1017 HA PRO 5 HA PRO 5 30.242 -4.474 -4.474 1018 1HB PRO 5 2HB PRO 5 28.116 -6.440 -6.440 1019 2HB PRO 5 1HB PRO 5 28.194 -4.701 -4.701 1020 1HG PRO 5 2HG PRO 5 28.691 -6.446 -6.446 1021 2HG PRO 5 1HG PRO 5 29.639 -4.954 -4.954 1022 1HD PRO 5 2HD PRO 5 30.393 -7.756 -7.756 1023 2HD PRO 5 1HD PRO 5 31.400 -6.432 -6.432 1024 HA PRO 6 HA PRO 6 29.744 -5.936 -5.936 1025 1HB PRO 6 2HB PRO 6 27.457 -4.027 -4.027 1026 2HB PRO 6 1HB PRO 6 28.820 -4.171 -4.171 1027 1HG PRO 6 2HG PRO 6 28.735 -2.201 -2.201 1028 2HG PRO 6 1HG PRO 6 30.262 -3.018 -3.018 1029 1HD PRO 6 2HD PRO 6 28.503 -3.304 -3.304 1030 2HD PRO 6 1HD PRO 6 30.274 -3.357 -3.357 1031 H GLY 7 HN GLY 7 28.280 -7.141 -7.141 1032 1HA GLY 7 2HA GLY 7 26.544 -8.837 -8.837 1033 2HA GLY 7 1HA GLY 7 26.688 -8.771 -8.771 1034 H ASP 8 HN ASP 8 24.529 -8.528 -8.528 1035 HA ASP 8 HA ASP 8 23.036 -6.240 -6.240 1036 1HB ASP 8 2HB ASP 8 22.065 -9.036 -9.036 1037 2HB ASP 8 1HB ASP 8 21.082 -7.582 -7.582 1038 H ILE 9 HN ILE 9 22.251 -5.431 -5.431 1039 HA ILE 9 HA ILE 9 21.808 -7.068 -7.068 1040 HB ILE 9 HB ILE 9 21.112 -4.978 -4.978 1041 1HG1 ILE 9 2HG1 ILE 9 21.896 -3.225 -3.225 1042 2HG1 ILE 9 1HG1 ILE 9 20.444 -4.156 -4.156 1043 1HG2 ILE 9 2HG2 ILE 9 23.656 -4.835 -4.835 1044 2HG2 ILE 9 1HG2 ILE 9 23.275 -3.775 -3.775 1045 3HG2 ILE 9 3HG2 ILE 9 23.449 -5.511 -5.511 1046 1HD1 ILE 9 1HD1 ILE 9 20.824 -2.467 -2.467 1047 2HD1 ILE 9 3HD1 ILE 9 19.992 -1.942 -1.942 1048 3HD1 ILE 9 2HD1 ILE 9 19.348 -3.282 -3.282 1049 H ASN 10 HN ASN 10 19.910 -7.728 -7.728 1050 HA ASN 10 HA ASN 10 17.567 -7.624 -7.624 1051 1HB ASN 10 2HB ASN 10 18.590 -9.397 -9.397 1052 2HB ASN 10 1HB ASN 10 16.946 -8.922 -8.922 1053 1HD2 ASN 10 2HD2 ASN 10 17.649 -11.561 -11.561 1054 2HD2 ASN 10 1HD2 ASN 10 18.889 -10.897 -10.897 1055 H THR 11 HN THR 11 15.565 -6.765 -6.765 1056 HA THR 11 HA THR 11 15.481 -5.114 -5.114 1057 HB THR 11 HB THR 11 14.154 -3.457 -3.457 1058 HG1 THR 11 1HG THR 11 14.396 -4.823 -4.823 1059 1HG2 THR 11 3HG2 THR 11 16.278 -2.960 -2.960 1060 2HG2 THR 11 2HG2 THR 11 17.148 -3.526 -3.526 1061 3HG2 THR 11 1HG2 THR 11 16.085 -2.123 -2.123 1062 H GLN 12 HN GLN 12 13.415 -4.729 -4.729 1063 HA GLN 12 HA GLN 12 11.197 -6.201 -6.201 1064 1HB GLN 12 2HB GLN 12 11.916 -6.325 -6.325 1065 2HB GLN 12 1HB GLN 12 10.547 -7.118 -7.118 1066 1HG GLN 12 2HG GLN 12 12.363 -8.254 -8.254 1067 2HG GLN 12 1HG GLN 12 13.450 -7.781 -7.781 1068 1HE2 GLN 12 2HE2 GLN 12 12.692 -10.684 -10.684 1069 2HE2 GLN 12 1HE2 GLN 12 13.870 -9.580 -9.580 1070 HA PRO 13 HA PRO 13 9.141 -5.936 -5.936 1071 1HB PRO 13 2HB PRO 13 8.071 -4.118 -4.118 1072 2HB PRO 13 1HB PRO 13 7.213 -4.741 -4.741 1073 1HG PRO 13 2HG PRO 13 8.707 -2.167 -2.167 1074 2HG PRO 13 1HG PRO 13 7.139 -2.460 -2.460 1075 1HD PRO 13 2HD PRO 13 9.394 -2.160 -2.160 1076 2HD PRO 13 1HD PRO 13 8.108 -3.276 -3.276 1077 H SER 14 HN SER 14 9.606 -6.318 -6.318 1078 HA SER 14 HA SER 14 12.219 -6.137 -6.137 1079 1HB SER 14 2HB SER 14 10.717 -7.589 -7.589 1080 2HB SER 14 1HB SER 14 9.796 -6.214 -6.214 1081 HG SER 14 HG SER 14 11.909 -7.372 -7.372 1082 H GLN 15 HN GLN 15 9.709 -4.040 -4.040 1083 HA GLN 15 HA GLN 15 11.201 -1.663 -1.663 1084 1HB GLN 15 2HB GLN 15 12.573 -2.844 -2.844 1085 2HB GLN 15 1HB GLN 15 11.178 -2.757 -2.757 1086 1HG GLN 15 2HG GLN 15 11.568 -0.154 -0.154 1087 2HG GLN 15 1HG GLN 15 13.175 -0.776 -0.776 1088 1HE2 GLN 15 2HE2 GLN 15 12.625 0.251 0.251 1089 2HE2 GLN 15 1HE2 GLN 15 13.531 0.425 0.425 1090 H LYS 16 HN LYS 16 8.630 -2.205 -2.205 1091 HA LYS 16 HA LYS 16 7.224 -0.293 -0.293 1092 1HB LYS 16 2HB LYS 16 6.876 -3.094 -3.094 1093 2HB LYS 16 1HB LYS 16 5.390 -2.450 -2.450 1094 1HG LYS 16 2HG LYS 16 6.797 -1.238 -1.238 1095 2HG LYS 16 1HG LYS 16 5.506 -2.434 -2.434 1096 1HD LYS 16 2HD LYS 16 3.897 -0.973 -0.973 1097 2HD LYS 16 1HD LYS 16 5.076 0.032 0.032 1098 1HE LYS 16 2HE LYS 16 4.678 1.409 1.409 1099 2HE LYS 16 1HE LYS 16 5.926 0.410 0.410 1100 1HZ LYS 16 2HZ LYS 16 4.102 -0.992 -0.992 1101 2HZ LYS 16 1HZ LYS 16 2.990 0.149 0.149 1102 3HZ LYS 16 3HZ LYS 16 4.121 0.584 0.584 1103 H ILE 17 HN ILE 17 6.681 1.021 1.021 1104 HA ILE 17 HA ILE 17 5.063 -0.124 -0.124 1105 HB ILE 17 HB ILE 17 7.335 0.361 0.361 1106 1HG1 ILE 17 2HG1 ILE 17 5.129 2.157 2.157 1107 2HG1 ILE 17 1HG1 ILE 17 5.447 0.498 0.498 1108 1HG2 ILE 17 2HG2 ILE 17 7.339 2.478 2.478 1109 2HG2 ILE 17 1HG2 ILE 17 6.930 3.275 3.275 1110 3HG2 ILE 17 3HG2 ILE 17 8.410 2.325 2.325 1111 1HD1 ILE 17 3HD1 ILE 17 7.423 2.727 2.727 1112 2HD1 ILE 17 2HD1 ILE 17 6.215 2.285 2.285 1113 3HD1 ILE 17 1HD1 ILE 17 7.446 1.119 1.119 1114 H VAL 18 HN VAL 18 3.387 1.155 1.155 1115 HA VAL 18 HA VAL 18 3.013 3.824 3.824 1116 HB VAL 18 HB VAL 18 2.050 2.472 2.472 1117 1HG1 VAL 18 1HG1 VAL 18 1.319 0.764 0.764 1118 2HG1 VAL 18 3HG1 VAL 18 -0.179 1.297 1.297 1119 3HG1 VAL 18 2HG1 VAL 18 1.073 0.521 0.521 1120 1HG2 VAL 18 3HG2 VAL 18 0.389 4.205 4.205 1121 2HG2 VAL 18 2HG2 VAL 18 0.675 4.245 4.245 1122 3HG2 VAL 18 1HG2 VAL 18 -0.520 3.136 3.136 1123 H PHE 19 HN PHE 19 2.322 5.052 5.052 1124 HA PHE 19 HA PHE 19 1.347 3.938 3.938 1125 1HB PHE 19 2HB PHE 19 1.615 6.777 6.777 1126 2HB PHE 19 1HB PHE 19 0.994 6.381 6.381 1127 HD1 PHE 19 1HD PHE 19 3.951 6.413 6.413 1128 HD2 PHE 19 2HD PHE 19 2.449 5.557 5.557 1129 HE1 PHE 19 1HE PHE 19 6.253 6.319 6.319 1130 HE2 PHE 19 2HE PHE 19 4.748 5.462 5.462 1131 HZ PHE 19 HZ PHE 19 6.654 5.843 5.843 1132 H ASN 20 HN ASN 20 -0.648 3.185 3.185 1133 HA ASN 20 HA ASN 20 -2.807 4.050 4.050 1134 1HB ASN 20 2HB ASN 20 -2.713 2.084 2.084 1135 2HB ASN 20 1HB ASN 20 -4.145 2.392 2.392 1136 1HD2 ASN 20 2HD2 ASN 20 -1.053 0.177 0.177 1137 2HD2 ASN 20 1HD2 ASN 20 -0.879 1.140 1.140 1138 H ALA 21 HN ALA 21 -4.438 5.400 5.400 1139 HA ALA 21 HA ALA 21 -4.210 7.194 7.194 1140 1HB ALA 21 3HB ALA 21 -5.642 7.079 7.079 1141 2HB ALA 21 2HB ALA 21 -6.870 7.125 7.125 1142 3HB ALA 21 1HB ALA 21 -5.645 8.391 8.391 1143 HA PRO 22 HA PRO 22 -6.473 8.532 8.532 1144 1HB PRO 22 2HB PRO 22 -6.958 9.410 9.410 1145 2HB PRO 22 1HB PRO 22 -8.222 8.699 8.699 1146 1HG PRO 22 2HG PRO 22 -6.615 7.435 7.435 1147 2HG PRO 22 1HG PRO 22 -8.356 7.319 7.319 1148 1HD PRO 22 2HD PRO 22 -6.597 5.386 5.386 1149 2HD PRO 22 1HD PRO 22 -8.078 5.733 5.733 1150 H TYR 23 HN TYR 23 -5.267 10.419 10.419 1151 HA TYR 23 HA TYR 23 -2.634 9.681 9.681 1152 1HB TYR 23 2HB TYR 23 -3.422 11.985 11.985 1153 2HB TYR 23 1HB TYR 23 -1.797 11.699 11.699 1154 HD1 TYR 23 2HD TYR 23 -1.800 8.683 8.683 1155 HD2 TYR 23 1HD TYR 23 -3.001 11.776 11.776 1156 HE1 TYR 23 2HE TYR 23 -1.331 7.211 7.211 1157 HE2 TYR 23 1HE TYR 23 -2.534 10.313 10.313 1158 HH TYR 23 HH TYR 23 -2.325 7.966 7.966 1159 H ASP 24 HN ASP 24 -4.547 10.049 10.049 1160 HA ASP 24 HA ASP 24 -3.980 12.728 12.728 1161 1HB ASP 24 2HB ASP 24 -6.430 11.868 11.868 1162 2HB ASP 24 1HB ASP 24 -6.246 11.084 11.084 1163 H ASP 25 HN ASP 25 -3.155 9.517 9.517 1164 HA ASP 25 HA ASP 25 -2.506 9.909 9.909 1165 1HB ASP 25 2HB ASP 25 -4.269 8.127 8.127 1166 2HB ASP 25 1HB ASP 25 -2.946 7.204 7.204 1167 H LYS 26 HN LYS 26 -0.476 9.289 9.289 1168 HA LYS 26 HA LYS 26 1.574 9.294 9.294 1169 1HB LYS 26 2HB LYS 26 1.656 8.985 8.985 1170 2HB LYS 26 1HB LYS 26 3.097 9.020 9.020 1171 1HG LYS 26 2HG LYS 26 3.101 11.224 11.224 1172 2HG LYS 26 1HG LYS 26 1.599 11.263 11.263 1173 1HD LYS 26 2HD LYS 26 1.055 12.419 12.419 1174 2HD LYS 26 1HD LYS 26 0.451 10.791 10.791 1175 1HE LYS 26 2HE LYS 26 1.819 10.532 10.532 1176 2HE LYS 26 1HE LYS 26 3.214 11.073 11.073 1177 1HZ LYS 26 2HZ LYS 26 2.010 13.390 13.390 1178 2HZ LYS 26 1HZ LYS 26 1.480 12.579 12.579 1179 3HZ LYS 26 3HZ LYS 26 3.136 12.749 12.749 1180 H HIS 27 HN HIS 27 2.516 7.616 7.616 1181 HA HIS 27 HA HIS 27 2.249 4.960 4.960 1182 1HB HIS 27 2HB HIS 27 2.311 4.190 4.190 1183 2HB HIS 27 1HB HIS 27 0.797 4.695 4.695 1184 HD1 HIS 27 1HD HIS 27 3.465 7.036 7.036 1185 HD2 HIS 27 2HD HIS 27 -0.416 5.788 5.788 1186 HE1 HIS 27 1HE HIS 27 2.606 8.530 8.530 1187 H THR 28 HN THR 28 3.919 3.439 3.439 1188 HA THR 28 HA THR 28 6.395 4.640 4.640 1189 HB THR 28 HB THR 28 6.615 2.703 2.703 1190 HG1 THR 28 1HG THR 28 5.748 5.379 5.379 1191 1HG2 THR 28 2HG2 THR 28 8.618 3.634 3.634 1192 2HG2 THR 28 1HG2 THR 28 8.104 5.248 5.248 1193 3HG2 THR 28 3HG2 THR 28 8.506 4.043 4.043 1194 H TYR 29 HN TYR 29 7.030 3.517 3.517 1195 HA TYR 29 HA TYR 29 6.364 0.663 0.663 1196 1HB TYR 29 2HB TYR 29 7.147 2.664 2.664 1197 2HB TYR 29 1HB TYR 29 6.950 0.941 0.941 1198 HD1 TYR 29 1HD TYR 29 5.038 3.726 3.726 1199 HD2 TYR 29 2HD TYR 29 4.929 0.278 0.278 1200 HE1 TYR 29 1HE TYR 29 2.631 4.075 4.075 1201 HE2 TYR 29 2HE TYR 29 2.522 0.618 0.618 1202 HH TYR 29 HH TYR 29 0.701 2.998 2.998 1203 H HIS 30 HN HIS 30 7.910 -0.710 -0.710 1204 HA HIS 30 HA HIS 30 10.697 0.144 0.144 1205 1HB HIS 30 2HB HIS 30 9.400 -2.347 -2.347 1206 2HB HIS 30 1HB HIS 30 11.111 -1.958 -1.958 1207 HD1 HIS 30 1HD HIS 30 7.935 0.033 0.033 1208 HD2 HIS 30 2HD HIS 30 11.578 -1.056 -1.056 1209 HE1 HIS 30 1HE HIS 30 8.022 1.122 1.122 1210 H ILE 31 HN ILE 31 12.173 -0.553 -0.553 1211 HA ILE 31 HA ILE 31 11.333 -2.572 -2.572 1212 HB ILE 31 HB ILE 31 13.683 -0.759 -0.759 1213 1HG1 ILE 31 2HG1 ILE 31 11.799 0.706 0.706 1214 2HG1 ILE 31 1HG1 ILE 31 12.233 0.892 0.892 1215 1HG2 ILE 31 2HG2 ILE 31 12.973 -2.787 -2.787 1216 2HG2 ILE 31 1HG2 ILE 31 11.738 -1.688 -1.688 1217 3HG2 ILE 31 3HG2 ILE 31 13.445 -1.279 -1.279 1218 1HD1 ILE 31 3HD1 ILE 31 9.969 -0.828 -0.828 1219 2HD1 ILE 31 2HD1 ILE 31 9.791 0.846 0.846 1220 3HD1 ILE 31 1HD1 ILE 31 10.341 -0.382 -0.382 1221 H LYS 32 HN LYS 32 12.655 -4.311 -4.311 1222 HA LYS 32 HA LYS 32 14.791 -4.803 -4.803 1223 1HB LYS 32 2HB LYS 32 12.659 -6.354 -6.354 1224 2HB LYS 32 1HB LYS 32 13.792 -7.013 -7.013 1225 1HG LYS 32 2HG LYS 32 15.291 -7.699 -7.699 1226 2HG LYS 32 1HG LYS 32 14.522 -6.690 -6.690 1227 1HD LYS 32 2HD LYS 32 12.541 -8.096 -8.096 1228 2HD LYS 32 1HD LYS 32 13.246 -9.075 -9.075 1229 1HE LYS 32 2HE LYS 32 14.696 -8.733 -8.733 1230 2HE LYS 32 1HE LYS 32 13.376 -9.895 -9.895 1231 1HZ LYS 32 3HZ LYS 32 15.467 -9.953 -9.953 1232 2HZ LYS 32 2HZ LYS 32 15.843 -10.568 -10.568 1233 3HZ LYS 32 1HZ LYS 32 14.557 -11.223 -11.223 1234 H ILE 33 HN ILE 33 16.815 -4.650 -4.650 1235 HA ILE 33 HA ILE 33 17.405 -5.042 -5.042 1236 HB ILE 33 HB ILE 33 19.090 -3.486 -3.486 1237 1HG1 ILE 33 2HG1 ILE 33 17.106 -2.406 -2.406 1238 2HG1 ILE 33 1HG1 ILE 33 16.842 -2.457 -2.457 1239 1HG2 ILE 33 1HG2 ILE 33 19.147 -3.927 -3.927 1240 2HG2 ILE 33 3HG2 ILE 33 19.875 -2.489 -2.489 1241 3HG2 ILE 33 2HG2 ILE 33 20.449 -4.091 -4.091 1242 1HD1 ILE 33 3HD1 ILE 33 19.185 -1.140 -1.140 1243 2HD1 ILE 33 2HD1 ILE 33 18.469 -0.625 -0.625 1244 3HD1 ILE 33 1HD1 ILE 33 17.607 -0.352 -0.352 1245 H THR 34 HN THR 34 19.381 -6.113 -6.113 1246 HA THR 34 HA THR 34 20.874 -7.455 -7.455 1247 HB THR 34 HB THR 34 19.133 -9.004 -9.004 1248 HG1 THR 34 1HG THR 34 17.905 -8.990 -8.990 1249 1HG2 THR 34 3HG2 THR 34 21.260 -10.061 -10.061 1250 2HG2 THR 34 2HG2 THR 34 20.066 -11.038 -11.038 1251 3HG2 THR 34 1HG2 THR 34 21.270 -10.127 -10.127 1252 H ASN 35 HN ASN 35 22.751 -8.553 -8.553 1253 HA ASN 35 HA ASN 35 23.646 -7.485 -7.485 1254 1HB ASN 35 2HB ASN 35 24.987 -6.889 -6.889 1255 2HB ASN 35 1HB ASN 35 25.288 -8.600 -8.600 1256 1HD2 ASN 35 2HD2 ASN 35 26.949 -6.967 -6.967 1257 2HD2 ASN 35 1HD2 ASN 35 25.349 -6.533 -6.533 1258 H ALA 36 HN ALA 36 23.373 -8.875 -8.875 1259 HA ALA 36 HA ALA 36 23.515 -11.744 -11.744 1260 1HB ALA 36 1HB ALA 36 21.751 -10.493 -10.493 1261 2HB ALA 36 3HB ALA 36 23.001 -10.523 -10.523 1262 3HB ALA 36 2HB ALA 36 22.396 -12.034 -12.034 1263 H GLY 37 HN GLY 37 25.900 -9.816 -9.816 1264 1HA GLY 37 2HA GLY 37 27.387 -11.068 -11.068 1265 2HA GLY 37 1HA GLY 37 27.853 -9.592 -9.592 1266 H GLY 38 HN GLY 38 29.890 -10.212 -10.212 1267 1HA GLY 38 2HA GLY 38 29.983 -12.213 -12.213 1268 2HA GLY 38 1HA GLY 38 31.076 -12.406 -12.406 1269 H ARG 39 HN ARG 39 30.304 -9.194 -9.194 1270 HA ARG 39 HA ARG 39 32.506 -8.930 -8.930 1271 1HB ARG 39 2HB ARG 39 32.662 -7.818 -7.818 1272 2HB ARG 39 1HB ARG 39 33.592 -7.138 -7.138 1273 1HG ARG 39 2HG ARG 39 35.144 -8.580 -8.580 1274 2HG ARG 39 1HG ARG 39 34.285 -9.694 -9.694 1275 1HD ARG 39 2HD ARG 39 33.885 -11.001 -11.001 1276 2HD ARG 39 1HD ARG 39 32.901 -9.715 -9.715 1277 HE ARG 39 HE ARG 39 34.601 -9.241 -9.241 1278 1HH1 ARG 39 1HH2 ARG 39 35.796 -11.325 -11.325 1279 2HH1 ARG 39 2HH2 ARG 39 37.312 -11.620 -11.620 1280 1HH2 ARG 39 1HH1 ARG 39 36.595 -9.622 -9.622 1281 2HH2 ARG 39 2HH1 ARG 39 37.766 -10.651 -10.651 1282 H ARG 40 HN ARG 40 32.696 -6.726 -6.726 1283 HA ARG 40 HA ARG 40 30.238 -5.620 -5.620 1284 1HB ARG 40 2HB ARG 40 33.063 -4.629 -4.629 1285 2HB ARG 40 1HB ARG 40 31.740 -3.547 -3.547 1286 1HG ARG 40 2HG ARG 40 31.327 -4.583 -4.583 1287 2HG ARG 40 1HG ARG 40 31.628 -6.188 -6.188 1288 1HD ARG 40 2HD ARG 40 33.768 -4.181 -4.181 1289 2HD ARG 40 1HD ARG 40 33.268 -5.519 -5.519 1290 HE ARG 40 HE ARG 40 34.037 -6.389 -6.389 1291 1HH1 ARG 40 1HH2 ARG 40 35.253 -5.434 -5.434 1292 2HH1 ARG 40 2HH2 ARG 40 36.722 -6.341 -6.341 1293 1HH2 ARG 40 1HH1 ARG 40 35.968 -7.586 -7.586 1294 2HH2 ARG 40 2HH1 ARG 40 37.128 -7.564 -7.564 1295 H ILE 41 HN ILE 41 29.238 -3.623 -3.623 1296 HA ILE 41 HA ILE 41 30.111 -2.333 -2.333 1297 HB ILE 41 HB ILE 41 27.728 -2.494 -2.494 1298 1HG1 ILE 41 2HG1 ILE 41 27.526 -5.069 -5.069 1299 2HG1 ILE 41 1HG1 ILE 41 27.062 -3.587 -3.587 1300 1HG2 ILE 41 2HG2 ILE 41 29.629 -3.624 -3.624 1301 2HG2 ILE 41 1HG2 ILE 41 29.428 -4.982 -4.982 1302 3HG2 ILE 41 3HG2 ILE 41 28.180 -4.625 -4.625 1303 1HD1 ILE 41 3HD1 ILE 41 25.468 -3.109 -3.109 1304 2HD1 ILE 41 2HD1 ILE 41 25.900 -4.641 -4.641 1305 3HD1 ILE 41 1HD1 ILE 41 25.128 -4.628 -4.628 1306 H GLY 42 HN GLY 42 30.059 -0.229 -0.229 1307 1HA GLY 42 2HA GLY 42 28.503 0.868 0.868 1308 2HA GLY 42 1HA GLY 42 29.495 1.772 1.772 1309 H TRP 43 HN TRP 43 26.389 1.241 1.241 1310 HA TRP 43 HA TRP 43 25.282 2.131 2.131 1311 1HB TRP 43 2HB TRP 43 23.164 1.084 1.084 1312 2HB TRP 43 1HB TRP 43 24.473 -0.094 -0.094 1313 HD1 TRP 43 1HD TRP 43 25.127 -1.248 -1.248 1314 HE1 TRP 43 1HE TRP 43 24.044 -1.277 -1.277 1315 HE3 TRP 43 3HE TRP 43 21.808 2.595 2.595 1316 HZ2 TRP 43 2HZ TRP 43 22.046 0.142 0.142 1317 HZ3 TRP 43 3HZ TRP 43 20.348 3.196 3.196 1318 HH2 TRP 43 2HH TRP 43 20.465 1.994 1.994 1319 H ALA 44 HN ALA 44 23.433 3.540 3.540 1320 HA ALA 44 HA ALA 44 22.904 4.962 4.962 1321 1HB ALA 44 1HB ALA 44 24.631 6.061 6.061 1322 2HB ALA 44 3HB ALA 44 23.354 7.138 7.138 1323 3HB ALA 44 2HB ALA 44 24.523 6.476 6.476 1324 H ILE 45 HN ILE 45 21.040 6.320 6.320 1325 HA ILE 45 HA ILE 45 19.294 5.593 5.593 1326 HB ILE 45 HB ILE 45 18.304 6.839 6.839 1327 1HG1 ILE 45 2HG1 ILE 45 19.696 4.926 4.926 1328 2HG1 ILE 45 1HG1 ILE 45 17.988 4.601 4.601 1329 1HG2 ILE 45 3HG2 ILE 45 17.166 5.631 5.631 1330 2HG2 ILE 45 2HG2 ILE 45 16.540 4.907 4.907 1331 3HG2 ILE 45 1HG2 ILE 45 16.407 6.647 6.647 1332 1HD1 ILE 45 1HD1 ILE 45 17.993 3.375 3.375 1333 2HD1 ILE 45 3HD1 ILE 45 19.750 3.511 3.511 1334 3HD1 ILE 45 2HD1 ILE 45 18.910 2.630 2.630 1335 H LYS 46 HN LYS 46 17.879 7.166 7.166 1336 HA LYS 46 HA LYS 46 18.287 9.963 9.963 1337 1HB LYS 46 2HB LYS 46 19.284 8.709 8.709 1338 2HB LYS 46 1HB LYS 46 18.837 10.409 10.409 1339 1HG LYS 46 2HG LYS 46 20.468 10.540 10.540 1340 2HG LYS 46 1HG LYS 46 21.079 8.992 8.992 1341 1HD LYS 46 2HD LYS 46 22.425 10.269 10.269 1342 2HD LYS 46 1HD LYS 46 20.999 10.441 10.441 1343 1HE LYS 46 2HE LYS 46 20.397 12.483 12.483 1344 2HE LYS 46 1HE LYS 46 21.922 12.334 12.334 1345 1HZ LYS 46 1HZ LYS 46 21.802 12.516 12.516 1346 2HZ LYS 46 3HZ LYS 46 21.896 13.888 13.888 1347 3HZ LYS 46 2HZ LYS 46 23.142 12.744 12.744 1348 H THR 47 HN THR 47 16.482 11.099 11.099 1349 HA THR 47 HA THR 47 14.501 9.933 9.933 1350 HB THR 47 HB THR 47 13.491 9.374 9.374 1351 HG1 THR 47 1HG THR 47 12.002 10.653 10.653 1352 1HG2 THR 47 1HG2 THR 47 14.520 11.931 11.931 1353 2HG2 THR 47 3HG2 THR 47 13.441 10.793 10.793 1354 3HG2 THR 47 2HG2 THR 47 15.071 10.293 10.293 1355 H THR 48 HN THR 48 12.895 11.456 11.456 1356 HA THR 48 HA THR 48 14.014 13.751 13.751 1357 HB THR 48 HB THR 48 11.505 14.389 14.389 1358 HG1 THR 48 1HG THR 48 10.119 13.089 13.089 1359 1HG2 THR 48 3HG2 THR 48 12.629 11.843 11.843 1360 2HG2 THR 48 2HG2 THR 48 11.189 12.668 12.668 1361 3HG2 THR 48 1HG2 THR 48 12.760 13.463 13.463 1362 H ASN 49 HN ASN 49 11.649 13.525 13.525 1363 HA ASN 49 HA ASN 49 12.420 16.242 16.242 1364 1HB ASN 49 2HB ASN 49 9.862 14.831 14.831 1365 2HB ASN 49 1HB ASN 49 10.144 15.597 15.597 1366 1HD2 ASN 49 2HD2 ASN 49 9.510 17.822 17.822 1367 2HD2 ASN 49 1HD2 ASN 49 9.844 16.130 16.130 1368 H MET 50 HN MET 50 13.838 16.263 16.263 1369 HA MET 50 HA MET 50 13.938 14.037 14.037 1370 1HB MET 50 2HB MET 50 15.835 16.012 16.012 1371 2HB MET 50 1HB MET 50 15.932 15.806 15.806 1372 1HG MET 50 2HG MET 50 15.783 13.287 13.287 1373 2HG MET 50 1HG MET 50 17.193 14.262 14.262 1374 1HE MET 50 1HE MET 50 15.533 11.927 11.927 1375 2HE MET 50 3HE MET 50 16.791 11.330 11.330 1376 3HE MET 50 2HE MET 50 15.600 12.489 12.489 1377 H ARG 51 HN ARG 51 11.839 16.221 16.221 1378 HA ARG 51 HA ARG 51 12.284 17.221 17.221 1379 1HB ARG 51 2HB ARG 51 10.221 18.388 18.388 1380 2HB ARG 51 1HB ARG 51 11.071 19.142 19.142 1381 1HG ARG 51 2HG ARG 51 13.089 19.296 19.296 1382 2HG ARG 51 1HG ARG 51 12.342 18.399 18.399 1383 1HD ARG 51 2HD ARG 51 11.078 20.176 20.176 1384 2HD ARG 51 1HD ARG 51 10.970 20.854 20.854 1385 HE ARG 51 HE ARG 51 13.609 21.108 21.108 1386 1HH1 ARG 51 1HH2 ARG 51 10.527 22.194 22.194 1387 2HH1 ARG 51 2HH2 ARG 51 11.163 23.649 23.649 1388 1HH2 ARG 51 1HH1 ARG 51 14.458 23.021 23.021 1389 2HH2 ARG 51 2HH1 ARG 51 13.397 24.119 24.119 1390 H ARG 52 HN ARG 52 9.603 16.330 16.330 1391 HA ARG 52 HA ARG 52 7.840 15.736 15.736 1392 1HB ARG 52 2HB ARG 52 7.528 14.895 14.895 1393 2HB ARG 52 1HB ARG 52 6.258 15.075 15.075 1394 1HG ARG 52 2HG ARG 52 5.941 17.144 17.144 1395 2HG ARG 52 1HG ARG 52 7.557 17.558 17.558 1396 1HD ARG 52 2HD ARG 52 7.232 18.142 18.142 1397 2HD ARG 52 1HD ARG 52 8.510 16.947 16.947 1398 HE ARG 52 HE ARG 52 7.271 15.453 15.453 1399 1HH1 ARG 52 1HH2 ARG 52 5.217 18.076 18.076 1400 2HH1 ARG 52 2HH2 ARG 52 3.865 17.554 17.554 1401 1HH2 ARG 52 1HH1 ARG 52 5.498 14.756 14.756 1402 2HH2 ARG 52 2HH1 ARG 52 4.025 15.667 15.667 1403 H LEU 53 HN LEU 53 9.997 13.894 13.894 1404 HA LEU 53 HA LEU 53 9.088 11.385 11.385 1405 1HB LEU 53 2HB LEU 53 11.154 11.739 11.739 1406 2HB LEU 53 1HB LEU 53 10.326 10.261 10.261 1407 HG LEU 53 HG LEU 53 9.152 12.648 12.648 1408 1HD1 LEU 53 1HD1 LEU 53 10.517 10.890 10.890 1409 2HD1 LEU 53 3HD1 LEU 53 9.193 9.781 9.781 1410 3HD1 LEU 53 2HD1 LEU 53 8.897 11.231 11.231 1411 1HD2 LEU 53 3HD2 LEU 53 7.772 10.207 10.207 1412 2HD2 LEU 53 2HD2 LEU 53 7.518 11.883 11.883 1413 3HD2 LEU 53 1HD2 LEU 53 7.043 11.352 11.352 1414 H SER 54 HN SER 54 10.455 10.029 10.029 1415 HA SER 54 HA SER 54 13.142 11.002 11.002 1416 1HB SER 54 2HB SER 54 10.864 11.009 11.009 1417 2HB SER 54 1HB SER 54 12.263 10.142 10.142 1418 HG SER 54 HG SER 54 11.890 12.762 12.762 1419 H VAL 55 HN VAL 55 14.590 9.415 9.415 1420 HA VAL 55 HA VAL 55 13.613 6.659 6.659 1421 HB VAL 55 HB VAL 55 14.207 6.782 6.782 1422 1HG1 VAL 55 3HG1 VAL 55 15.602 8.924 8.924 1423 2HG1 VAL 55 2HG1 VAL 55 16.955 7.802 7.802 1424 3HG1 VAL 55 1HG1 VAL 55 16.023 7.872 7.872 1425 1HG2 VAL 55 3HG2 VAL 55 15.051 4.789 4.789 1426 2HG2 VAL 55 2HG2 VAL 55 16.062 5.235 5.235 1427 3HG2 VAL 55 1HG2 VAL 55 16.591 5.610 5.610 1428 H ASP 56 HN ASP 56 15.204 5.166 5.166 1429 HA ASP 56 HA ASP 56 17.640 6.008 6.008 1430 1HB ASP 56 2HB ASP 56 16.170 7.216 7.216 1431 2HB ASP 56 1HB ASP 56 15.319 5.720 5.720 1432 HA PRO 57 HA PRO 57 19.364 5.168 5.168 1433 1HB PRO 57 2HB PRO 57 21.337 3.620 3.620 1434 2HB PRO 57 1HB PRO 57 20.732 3.427 3.427 1435 1HG PRO 57 2HG PRO 57 20.066 1.852 1.852 1436 2HG PRO 57 1HG PRO 57 20.402 1.273 1.273 1437 1HD PRO 57 2HD PRO 57 17.886 1.525 1.525 1438 2HD PRO 57 1HD PRO 57 18.271 1.738 1.738 1439 HA PRO 58 HA PRO 58 19.343 6.708 6.708 1440 1HB PRO 58 2HB PRO 58 21.134 8.691 8.691 1441 2HB PRO 58 1HB PRO 58 19.550 8.763 8.763 1442 1HG PRO 58 2HG PRO 58 22.207 8.040 8.040 1443 2HG PRO 58 1HG PRO 58 20.926 9.060 9.060 1444 1HD PRO 58 2HD PRO 58 21.315 6.438 6.438 1445 2HD PRO 58 1HD PRO 58 19.746 7.261 7.261 1446 H CYS 59 HN CYS 59 21.865 4.931 4.931 1447 HA CYS 59 HA CYS 59 22.932 4.154 4.154 1448 1HB CYS 59 2HB CYS 59 25.233 5.246 5.246 1449 2HB CYS 59 1HB CYS 59 23.929 6.262 6.262 1450 HG CYS 59 HG CYS 59 23.939 6.829 6.829 1451 H GLY 60 HN GLY 60 25.253 3.141 3.141 1452 1HA GLY 60 2HA GLY 60 26.407 2.417 2.417 1453 2HA GLY 60 1HA GLY 60 24.954 1.429 1.429 1454 H VAL 61 HN VAL 61 27.384 0.206 0.206 1455 HA VAL 61 HA VAL 61 27.945 -0.659 -0.659 1456 HB VAL 61 HB VAL 61 29.428 -1.593 -1.593 1457 1HG1 VAL 61 2HG1 VAL 61 29.600 -2.185 -2.185 1458 2HG1 VAL 61 1HG1 VAL 61 30.970 -1.125 -1.125 1459 3HG1 VAL 61 3HG1 VAL 61 30.756 -2.610 -2.610 1460 1HG2 VAL 61 1HG2 VAL 61 29.307 1.096 1.096 1461 2HG2 VAL 61 3HG2 VAL 61 30.142 0.478 0.478 1462 3HG2 VAL 61 2HG2 VAL 61 30.936 0.437 0.437 1463 H LEU 62 HN LEU 62 27.275 -2.555 -2.555 1464 HA LEU 62 HA LEU 62 25.947 -4.407 -4.407 1465 1HB LEU 62 2HB LEU 62 25.343 -3.437 -3.437 1466 2HB LEU 62 1HB LEU 62 25.431 -5.188 -5.188 1467 HG LEU 62 HG LEU 62 23.823 -3.893 -3.893 1468 1HD1 LEU 62 3HD1 LEU 62 23.401 -3.314 -3.314 1469 2HD1 LEU 62 2HD1 LEU 62 22.114 -4.391 -4.391 1470 3HD1 LEU 62 1HD1 LEU 62 22.405 -2.871 -2.871 1471 1HD2 LEU 62 2HD2 LEU 62 24.324 -6.464 -6.464 1472 2HD2 LEU 62 1HD2 LEU 62 22.887 -5.928 -5.928 1473 3HD2 LEU 62 3HD2 LEU 62 22.820 -6.168 -6.168 1474 H ASP 63 HN ASP 63 26.902 -6.258 -6.258 1475 HA ASP 63 HA ASP 63 29.332 -7.050 -7.050 1476 1HB ASP 63 2HB ASP 63 28.072 -7.554 -7.554 1477 2HB ASP 63 1HB ASP 63 28.472 -9.091 -9.091 1478 HA PRO 64 HA PRO 64 27.988 -10.224 -10.224 1479 1HB PRO 64 2HB PRO 64 29.419 -12.336 -12.336 1480 2HB PRO 64 1HB PRO 64 29.641 -11.789 -11.789 1481 1HG PRO 64 2HG PRO 64 31.426 -11.203 -11.203 1482 2HG PRO 64 1HG PRO 64 31.030 -10.046 -10.046 1483 1HD PRO 64 2HD PRO 64 30.117 -10.101 -10.101 1484 2HD PRO 64 1HD PRO 64 30.590 -8.716 -8.716 1485 H LYS 65 HN LYS 65 25.903 -10.793 -10.793 1486 HA LYS 65 HA LYS 65 24.033 -12.006 -12.006 1487 1HB LYS 65 2HB LYS 65 26.073 -13.761 -13.761 1488 2HB LYS 65 1HB LYS 65 25.193 -13.734 -13.734 1489 1HG LYS 65 2HG LYS 65 23.106 -14.201 -14.201 1490 2HG LYS 65 1HG LYS 65 24.148 -14.477 -14.477 1491 1HD LYS 65 2HD LYS 65 24.147 -16.610 -16.610 1492 2HD LYS 65 1HD LYS 65 25.362 -16.030 -16.030 1493 1HE LYS 65 2HE LYS 65 22.700 -15.517 -15.517 1494 2HE LYS 65 1HE LYS 65 22.904 -17.224 -17.224 1495 1HZ LYS 65 2HZ LYS 65 25.202 -16.440 -16.440 1496 2HZ LYS 65 1HZ LYS 65 23.917 -15.775 -15.775 1497 3HZ LYS 65 3HZ LYS 65 23.970 -17.442 -17.442 1498 H GLU 66 HN GLU 66 24.907 -9.670 -9.670 1499 HA GLU 66 HA GLU 66 23.741 -10.232 -10.232 1500 1HB GLU 66 2HB GLU 66 25.647 -8.290 -8.290 1501 2HB GLU 66 1HB GLU 66 24.403 -7.539 -7.539 1502 1HG GLU 66 2HG GLU 66 25.202 -9.809 -9.809 1503 2HG GLU 66 1HG GLU 66 26.688 -9.089 -9.089 1504 H LYS 67 HN LYS 67 21.958 -9.094 -9.094 1505 HA LYS 67 HA LYS 67 20.339 -7.720 -7.720 1506 1HB LYS 67 2HB LYS 67 18.369 -8.585 -8.585 1507 2HB LYS 67 1HB LYS 67 19.165 -9.699 -9.699 1508 1HG LYS 67 2HG LYS 67 20.569 -10.436 -10.436 1509 2HG LYS 67 1HG LYS 67 19.449 -9.523 -9.523 1510 1HD LYS 67 2HD LYS 67 17.995 -11.205 -11.205 1511 2HD LYS 67 1HD LYS 67 17.954 -11.157 -11.157 1512 1HE LYS 67 2HE LYS 67 20.269 -12.462 -12.462 1513 2HE LYS 67 1HE LYS 67 18.728 -13.318 -13.318 1514 1HZ LYS 67 1HZ LYS 67 19.435 -12.202 -12.202 1515 2HZ LYS 67 3HZ LYS 67 20.609 -13.284 -13.284 1516 3HZ LYS 67 2HZ LYS 67 19.003 -13.789 -13.789 1517 H VAL 68 HN VAL 68 19.696 -5.722 -5.722 1518 HA VAL 68 HA VAL 68 19.889 -4.817 -4.817 1519 HB VAL 68 HB VAL 68 20.256 -2.515 -2.515 1520 1HG1 VAL 68 1HG1 VAL 68 22.021 -4.468 -4.468 1521 2HG1 VAL 68 3HG1 VAL 68 22.593 -4.037 -4.037 1522 3HG1 VAL 68 2HG1 VAL 68 22.452 -2.797 -2.797 1523 1HG2 VAL 68 3HG2 VAL 68 19.474 -3.103 -3.103 1524 2HG2 VAL 68 2HG2 VAL 68 21.073 -2.357 -2.357 1525 3HG2 VAL 68 1HG2 VAL 68 20.914 -4.100 -4.100 1526 H LEU 69 HN LEU 69 18.202 -3.705 -3.705 1527 HA LEU 69 HA LEU 69 15.751 -3.630 -3.630 1528 1HB LEU 69 2HB LEU 69 15.925 -4.685 -4.685 1529 2HB LEU 69 1HB LEU 69 15.998 -3.045 -3.045 1530 HG LEU 69 HG LEU 69 13.785 -2.625 -2.625 1531 1HD1 LEU 69 3HD1 LEU 69 14.308 -5.242 -5.242 1532 2HD1 LEU 69 2HD1 LEU 69 12.836 -5.280 -5.280 1533 3HD1 LEU 69 1HD1 LEU 69 12.974 -4.154 -4.154 1534 1HD2 LEU 69 1HD2 LEU 69 13.942 -4.713 -4.713 1535 2HD2 LEU 69 3HD2 LEU 69 13.900 -2.964 -2.964 1536 3HD2 LEU 69 2HD2 LEU 69 12.489 -3.808 -3.808 1537 H MET 70 HN MET 70 15.015 -1.804 -1.804 1538 HA MET 70 HA MET 70 15.928 0.754 0.754 1539 1HB MET 70 2HB MET 70 15.997 1.717 1.717 1540 2HB MET 70 1HB MET 70 16.853 0.185 0.185 1541 1HG MET 70 2HG MET 70 15.549 -0.428 -0.428 1542 2HG MET 70 1HG MET 70 14.145 -0.325 -0.325 1543 1HE MET 70 2HE MET 70 15.837 0.496 0.496 1544 2HE MET 70 1HE MET 70 14.322 0.948 0.948 1545 3HE MET 70 3HE MET 70 15.561 2.168 2.168 1546 H ALA 71 HN ALA 71 14.461 2.581 2.581 1547 HA ALA 71 HA ALA 71 11.644 1.782 1.782 1548 1HB ALA 71 2HB ALA 71 12.207 1.899 1.899 1549 2HB ALA 71 1HB ALA 71 12.720 3.573 3.573 1550 3HB ALA 71 3HB ALA 71 11.032 3.129 3.129 1551 H VAL 72 HN VAL 72 10.193 3.479 3.479 1552 HA VAL 72 HA VAL 72 11.439 5.934 5.934 1553 HB VAL 72 HB VAL 72 9.459 4.238 4.238 1554 1HG1 VAL 72 3HG1 VAL 72 10.105 7.032 7.032 1555 2HG1 VAL 72 2HG1 VAL 72 10.581 6.211 6.211 1556 3HG1 VAL 72 1HG1 VAL 72 8.915 6.105 6.105 1557 1HG2 VAL 72 3HG2 VAL 72 12.405 4.722 4.722 1558 2HG2 VAL 72 2HG2 VAL 72 11.548 3.186 3.186 1559 3HG2 VAL 72 1HG2 VAL 72 11.391 4.175 4.175 1560 H SER 73 HN SER 73 10.555 7.090 7.090 1561 HA SER 73 HA SER 73 7.782 6.959 6.959 1562 1HB SER 73 2HB SER 73 8.328 9.030 9.030 1563 2HB SER 73 1HB SER 73 9.288 7.599 7.599 1564 HG SER 73 HG SER 73 11.006 8.643 8.643 1565 H CYS 74 HN CYS 74 6.116 8.268 8.268 1566 HA CYS 74 HA CYS 74 6.664 10.449 10.449 1567 1HB CYS 74 2HB CYS 74 4.843 8.106 8.106 1568 2HB CYS 74 1HB CYS 74 4.326 9.654 9.654 1569 HG CYS 74 HG CYS 74 6.974 9.297 9.297 1570 H ASP 75 HN ASP 75 5.186 12.183 12.183 1571 HA ASP 75 HA ASP 75 3.661 12.345 12.345 1572 1HB ASP 75 2HB ASP 75 4.564 14.563 14.563 1573 2HB ASP 75 1HB ASP 75 3.755 14.777 14.777 1574 H THR 76 HN THR 76 1.541 13.120 13.120 1575 HA THR 76 HA THR 76 -0.089 12.330 12.330 1576 HB THR 76 HB THR 76 -1.894 12.676 12.676 1577 HG1 THR 76 1HG THR 76 -2.111 14.353 14.353 1578 1HG2 THR 76 1HG2 THR 76 0.326 11.569 11.569 1579 2HG2 THR 76 3HG2 THR 76 -0.332 12.704 12.704 1580 3HG2 THR 76 2HG2 THR 76 -1.357 11.434 11.434 1581 H PHE 77 HN PHE 77 -0.796 13.495 13.495 1582 HA PHE 77 HA PHE 77 -0.947 16.403 16.403 1583 1HB PHE 77 2HB PHE 77 0.342 16.824 16.824 1584 2HB PHE 77 1HB PHE 77 1.315 15.791 15.791 1585 HD1 PHE 77 2HD PHE 77 1.652 13.426 13.426 1586 HD2 PHE 77 1HD PHE 77 -0.433 16.072 16.072 1587 HE1 PHE 77 2HE PHE 77 1.925 11.821 11.821 1588 HE2 PHE 77 1HE PHE 77 -0.164 14.472 14.472 1589 HZ PHE 77 HZ PHE 77 1.015 12.343 12.343 1590 H ASN 78 HN ASN 78 -1.638 17.133 17.133 1591 HA ASN 78 HA ASN 78 -3.867 15.375 15.375 1592 1HB ASN 78 2HB ASN 78 -3.921 18.259 18.259 1593 2HB ASN 78 1HB ASN 78 -4.998 17.723 17.723 1594 1HD2 ASN 78 2HD2 ASN 78 -7.302 16.302 16.302 1595 2HD2 ASN 78 1HD2 ASN 78 -6.858 16.805 16.805 1596 H ALA 79 HN ALA 79 -3.767 14.832 14.832 1597 HA ALA 79 HA ALA 79 -1.883 15.931 15.931 1598 1HB ALA 79 2HB ALA 79 -4.057 13.919 13.919 1599 2HB ALA 79 1HB ALA 79 -3.436 14.593 14.593 1600 3HB ALA 79 3HB ALA 79 -2.344 13.773 13.773 1601 H ALA 80 HN ALA 80 -5.099 16.842 16.842 1602 HA ALA 80 HA ALA 80 -6.061 17.987 17.987 1603 1HB ALA 80 1HB ALA 80 -6.770 17.994 17.994 1604 2HB ALA 80 3HB ALA 80 -6.666 19.689 19.689 1605 3HB ALA 80 2HB ALA 80 -7.721 18.585 18.585 1606 H THR 81 HN THR 81 -3.861 19.399 19.399 1607 HA THR 81 HA THR 81 -3.028 21.344 21.344 1608 HB THR 81 HB THR 81 -3.099 23.180 23.180 1609 HG1 THR 81 1HG THR 81 -4.049 22.872 22.872 1610 1HG2 THR 81 1HG2 THR 81 -5.142 22.528 22.528 1611 2HG2 THR 81 3HG2 THR 81 -5.811 21.934 21.934 1612 3HG2 THR 81 2HG2 THR 81 -5.370 23.634 23.634 1613 H GLU 82 HN GLU 82 -1.328 19.553 19.553 1614 HA GLU 82 HA GLU 82 0.844 20.535 20.535 1615 1HB GLU 82 2HB GLU 82 -0.295 17.764 17.764 1616 2HB GLU 82 1HB GLU 82 1.394 18.082 18.082 1617 1HG GLU 82 2HG GLU 82 -1.006 19.300 19.300 1618 2HG GLU 82 1HG GLU 82 0.103 18.111 18.111 1619 H ASP 83 HN ASP 83 2.914 19.252 19.252 1620 HA ASP 83 HA ASP 83 3.283 19.376 19.376 1621 1HB ASP 83 2HB ASP 83 5.019 18.804 18.804 1622 2HB ASP 83 1HB ASP 83 5.591 18.312 18.312 1623 H LEU 84 HN LEU 84 3.426 17.782 17.782 1624 HA LEU 84 HA LEU 84 3.611 15.002 15.002 1625 1HB LEU 84 2HB LEU 84 1.190 16.079 16.079 1626 2HB LEU 84 1HB LEU 84 1.571 14.375 14.375 1627 HG LEU 84 HG LEU 84 1.149 16.172 16.172 1628 1HD1 LEU 84 2HD1 LEU 84 -0.794 15.378 15.378 1629 2HD1 LEU 84 1HD1 LEU 84 -1.048 14.418 14.418 1630 3HD1 LEU 84 3HD1 LEU 84 -1.039 16.179 16.179 1631 1HD2 LEU 84 1HD2 LEU 84 1.285 13.201 13.201 1632 2HD2 LEU 84 3HD2 LEU 84 2.279 14.204 14.204 1633 3HD2 LEU 84 2HD2 LEU 84 0.584 13.918 13.918 1634 H ASN 85 HN ASN 85 5.554 15.096 15.096 1635 HA ASN 85 HA ASN 85 5.205 15.202 15.202 1636 1HB ASN 85 2HB ASN 85 7.578 15.999 15.999 1637 2HB ASN 85 1HB ASN 85 7.682 15.746 15.746 1638 1HD2 ASN 85 2HD2 ASN 85 6.518 18.885 18.885 1639 2HD2 ASN 85 1HD2 ASN 85 7.284 17.410 17.410 1640 H ASN 86 HN ASN 86 4.980 12.991 12.991 1641 HA ASN 86 HA ASN 86 5.339 10.751 10.751 1642 1HB ASN 86 2HB ASN 86 7.380 10.875 10.875 1643 2HB ASN 86 1HB ASN 86 6.107 9.695 9.695 1644 1HD2 ASN 86 2HD2 ASN 86 3.715 12.303 12.303 1645 2HD2 ASN 86 1HD2 ASN 86 4.024 11.695 11.695 1646 H ASP 87 HN ASP 87 6.317 10.724 10.724 1647 HA ASP 87 HA ASP 87 9.066 11.372 11.372 1648 1HB ASP 87 2HB ASP 87 7.008 9.942 9.942 1649 2HB ASP 87 1HB ASP 87 8.669 10.171 10.171 1650 H ARG 88 HN ARG 88 10.790 9.913 9.913 1651 HA ARG 88 HA ARG 88 10.433 7.091 7.091 1652 1HB ARG 88 2HB ARG 88 12.026 6.982 6.982 1653 2HB ARG 88 1HB ARG 88 10.580 7.894 7.894 1654 1HG ARG 88 2HG ARG 88 11.830 9.987 9.987 1655 2HG ARG 88 1HG ARG 88 13.280 9.022 9.022 1656 1HD ARG 88 2HD ARG 88 11.923 8.362 8.362 1657 2HD ARG 88 1HD ARG 88 12.449 10.042 10.042 1658 HE ARG 88 HE ARG 88 14.637 8.683 8.683 1659 1HH1 ARG 88 1HH2 ARG 88 12.543 8.396 8.396 1660 2HH1 ARG 88 2HH2 ARG 88 13.788 7.793 7.793 1661 1HH2 ARG 88 1HH1 ARG 88 16.284 7.890 7.890 1662 2HH2 ARG 88 2HH1 ARG 88 15.916 7.505 7.505 1663 H ILE 89 HN ILE 89 11.837 5.938 5.938 1664 HA ILE 89 HA ILE 89 13.916 7.314 7.314 1665 HB ILE 89 HB ILE 89 13.238 4.373 4.373 1666 1HG1 ILE 89 2HG1 ILE 89 11.294 5.969 5.969 1667 2HG1 ILE 89 1HG1 ILE 89 11.661 4.768 4.768 1668 1HG2 ILE 89 1HG2 ILE 89 14.872 6.198 6.198 1669 2HG2 ILE 89 3HG2 ILE 89 14.124 4.760 4.760 1670 3HG2 ILE 89 2HG2 ILE 89 15.269 4.603 4.603 1671 1HD1 ILE 89 2HD1 ILE 89 13.154 7.128 7.128 1672 2HD1 ILE 89 1HD1 ILE 89 11.468 7.564 7.564 1673 3HD1 ILE 89 3HD1 ILE 89 11.881 6.369 6.369 1674 H THR 90 HN THR 90 16.120 6.310 6.310 1675 HA THR 90 HA THR 90 16.928 4.860 4.860 1676 HB THR 90 HB THR 90 18.188 7.476 7.476 1677 HG1 THR 90 1HG THR 90 16.400 7.990 7.990 1678 1HG2 THR 90 1HG2 THR 90 19.224 5.332 5.332 1679 2HG2 THR 90 3HG2 THR 90 19.004 6.780 6.780 1680 3HG2 THR 90 2HG2 THR 90 19.988 6.847 6.847 1681 H ILE 91 HN ILE 91 18.105 3.196 3.196 1682 HA ILE 91 HA ILE 91 19.787 3.452 3.452 1683 HB ILE 91 HB ILE 91 18.610 0.915 0.915 1684 1HG1 ILE 91 2HG1 ILE 91 17.411 1.124 1.124 1685 2HG1 ILE 91 1HG1 ILE 91 17.648 2.840 2.840 1686 1HG2 ILE 91 2HG2 ILE 91 20.781 0.727 0.727 1687 2HG2 ILE 91 1HG2 ILE 91 19.955 1.349 1.349 1688 3HG2 ILE 91 3HG2 ILE 91 19.447 -0.181 -0.181 1689 1HD1 ILE 91 1HD1 ILE 91 16.533 2.407 2.407 1690 2HD1 ILE 91 3HD1 ILE 91 16.039 0.859 0.859 1691 3HD1 ILE 91 2HD1 ILE 91 15.514 2.363 2.363 1692 H GLU 92 HN GLU 92 21.718 4.037 4.037 1693 HA GLU 92 HA GLU 92 22.783 2.352 2.352 1694 1HB GLU 92 2HB GLU 92 24.073 4.890 4.890 1695 2HB GLU 92 1HB GLU 92 24.166 4.124 4.124 1696 1HG GLU 92 2HG GLU 92 21.874 4.757 4.757 1697 2HG GLU 92 1HG GLU 92 21.722 5.464 5.464 1698 H TRP 93 HN TRP 93 24.521 1.078 1.078 1699 HA TRP 93 HA TRP 93 26.127 1.408 1.408 1700 1HB TRP 93 2HB TRP 93 25.976 -0.906 -0.906 1701 2HB TRP 93 1HB TRP 93 24.333 -0.306 -0.306 1702 HD1 TRP 93 1HD TRP 93 26.516 -3.086 -3.086 1703 HE1 TRP 93 1HE TRP 93 25.412 -4.456 -4.456 1704 HE3 TRP 93 3HE TRP 93 22.759 0.145 0.145 1705 HZ2 TRP 93 2HZ TRP 93 23.236 -4.199 -4.199 1706 HZ3 TRP 93 3HZ TRP 93 21.211 -0.492 -0.492 1707 HH2 TRP 93 2HH TRP 93 21.446 -2.620 -2.620 1708 H THR 94 HN THR 94 28.213 0.400 0.400 1709 HA THR 94 HA THR 94 29.072 -0.628 -0.628 1710 HB THR 94 HB THR 94 29.519 1.638 1.638 1711 HG1 THR 94 1HG THR 94 31.479 1.169 1.169 1712 1HG2 THR 94 2HG2 THR 94 29.913 1.845 1.845 1713 2HG2 THR 94 1HG2 THR 94 31.125 2.714 2.714 1714 3HG2 THR 94 3HG2 THR 94 29.413 3.064 3.064 1715 H ASN 95 HN ASN 95 31.058 -1.759 -1.759 1716 HA ASN 95 HA ASN 95 31.519 -3.267 -3.267 1717 1HB ASN 95 2HB ASN 95 32.874 -2.869 -2.869 1718 2HB ASN 95 1HB ASN 95 33.913 -3.453 -3.453 1719 1HD2 ASN 95 2HD2 ASN 95 32.482 -6.357 -6.357 1720 2HD2 ASN 95 1HD2 ASN 95 33.466 -5.002 -5.002 1721 H THR 96 HN THR 96 33.226 -3.301 -3.301 1722 HA THR 96 HA THR 96 34.240 -0.635 -0.635 1723 HB THR 96 HB THR 96 34.993 -2.132 -2.132 1724 HG1 THR 96 1HG THR 96 34.166 -4.058 -4.058 1725 1HG2 THR 96 2HG2 THR 96 32.675 -0.492 -0.492 1726 2HG2 THR 96 1HG2 THR 96 32.364 -1.702 -1.702 1727 3HG2 THR 96 3HG2 THR 96 33.685 -0.551 -0.551 1728 HA PRO 97 HA PRO 97 38.334 -1.564 -1.564 1729 1HB PRO 97 2HB PRO 97 39.745 0.088 0.088 1730 2HB PRO 97 1HB PRO 97 38.862 0.651 0.651 1731 1HG PRO 97 2HG PRO 97 38.039 0.689 0.689 1732 2HG PRO 97 1HG PRO 97 37.843 1.944 1.944 1733 1HD PRO 97 2HD PRO 97 35.812 0.335 0.335 1734 2HD PRO 97 1HD PRO 97 36.004 0.906 0.906 1735 H ASP 98 HN ASP 98 40.268 -2.609 -2.609 1736 HA ASP 98 HA ASP 98 40.036 -4.671 -4.671 1737 1HB ASP 98 2HB ASP 98 42.456 -4.937 -4.937 1738 2HB ASP 98 1HB ASP 98 41.774 -4.543 -4.543 1739 H GLY 99 HN GLY 99 40.125 -4.871 -4.871 1740 1HA GLY 99 2HA GLY 99 40.397 -4.344 -4.344 1741 2HA GLY 99 1HA GLY 99 41.798 -3.410 -3.410 1742 H ALA 100 HN ALA 100 38.499 -2.816 -2.816 1743 HA ALA 100 HA ALA 100 38.600 -0.069 -0.069 1744 1HB ALA 100 3HB ALA 100 36.595 -1.985 -1.985 1745 2HB ALA 100 2HB ALA 100 35.920 -0.625 -0.625 1746 3HB ALA 100 1HB ALA 100 36.910 -0.333 -0.333 1747 H ALA 101 HN ALA 101 38.348 1.076 1.076 1748 HA ALA 101 HA ALA 101 38.135 -0.072 -0.072 1749 1HB ALA 101 3HB ALA 101 39.038 2.224 2.224 1750 2HB ALA 101 2HB ALA 101 37.358 2.764 2.764 1751 3HB ALA 101 1HB ALA 101 38.101 2.107 2.107 1752 H LYS 102 HN LYS 102 36.467 0.502 0.502 1753 HA LYS 102 HA LYS 102 33.869 -0.285 -0.285 1754 1HB LYS 102 2HB LYS 102 34.786 0.193 0.193 1755 2HB LYS 102 1HB LYS 102 33.239 -0.495 -0.495 1756 1HG LYS 102 2HG LYS 102 35.900 -1.731 -1.731 1757 2HG LYS 102 1HG LYS 102 34.929 -2.159 -2.159 1758 1HD LYS 102 2HD LYS 102 33.365 -3.256 -3.256 1759 2HD LYS 102 1HD LYS 102 33.586 -2.208 -2.208 1760 1HE LYS 102 2HE LYS 102 34.712 -3.911 -3.911 1761 2HE LYS 102 1HE LYS 102 36.012 -3.487 -3.487 1762 1HZ LYS 102 1HZ LYS 102 34.379 -5.030 -5.030 1763 2HZ LYS 102 3HZ LYS 102 34.279 -5.778 -5.778 1764 3HZ LYS 102 2HZ LYS 102 35.785 -5.563 -5.563 1765 H GLN 103 HN GLN 103 33.741 1.798 1.798 1766 HA GLN 103 HA GLN 103 31.878 3.501 3.501 1767 1HB GLN 103 2HB GLN 103 33.301 5.601 5.601 1768 2HB GLN 103 1HB GLN 103 33.627 4.472 4.472 1769 1HG GLN 103 2HG GLN 103 35.448 3.552 3.552 1770 2HG GLN 103 1HG GLN 103 35.277 5.124 5.124 1771 1HE2 GLN 103 2HE2 GLN 103 37.374 4.728 4.728 1772 2HE2 GLN 103 1HE2 GLN 103 36.681 3.396 3.396 1773 H PHE 104 HN PHE 104 30.684 4.368 4.368 1774 HA PHE 104 HA PHE 104 31.095 3.888 3.888 1775 1HB PHE 104 2HB PHE 104 28.915 4.510 4.510 1776 2HB PHE 104 1HB PHE 104 29.506 6.130 6.130 1777 HD1 PHE 104 1HD PHE 104 28.862 3.769 3.769 1778 HD2 PHE 104 2HD PHE 104 29.353 7.823 7.823 1779 HE1 PHE 104 1HE PHE 104 28.149 4.511 4.511 1780 HE2 PHE 104 2HE PHE 104 28.641 8.572 8.572 1781 HZ PHE 104 HZ PHE 104 28.038 6.915 6.915 1782 H ARG 105 HN ARG 105 31.707 5.212 5.212 1783 HA ARG 105 HA ARG 105 33.246 7.619 7.619 1784 1HB ARG 105 2HB ARG 105 34.362 5.115 5.115 1785 2HB ARG 105 1HB ARG 105 34.610 6.276 6.276 1786 1HG ARG 105 2HG ARG 105 35.491 7.839 7.839 1787 2HG ARG 105 1HG ARG 105 35.585 6.384 6.384 1788 1HD ARG 105 2HD ARG 105 36.720 5.919 5.919 1789 2HD ARG 105 1HD ARG 105 37.478 7.311 7.311 1790 HE ARG 105 HE ARG 105 37.840 4.587 4.587 1791 1HH1 ARG 105 1HH2 ARG 105 37.578 7.770 7.770 1792 2HH1 ARG 105 2HH2 ARG 105 38.523 7.380 7.380 1793 1HH2 ARG 105 1HH1 ARG 105 39.088 4.061 4.061 1794 2HH2 ARG 105 2HH1 ARG 105 39.384 5.271 5.271 1795 H ARG 106 HN ARG 106 33.600 9.048 9.048 1796 HA ARG 106 HA ARG 106 31.384 8.983 8.983 1797 1HB ARG 106 2HB ARG 106 32.624 11.014 11.014 1798 2HB ARG 106 1HB ARG 106 33.246 11.223 11.223 1799 1HG ARG 106 2HG ARG 106 31.058 11.480 11.480 1800 2HG ARG 106 1HG ARG 106 30.318 10.989 10.989 1801 1HD ARG 106 2HD ARG 106 30.154 13.367 13.367 1802 2HD ARG 106 1HD ARG 106 31.360 12.989 12.989 1803 HE ARG 106 HE ARG 106 32.522 13.385 13.385 1804 1HH1 ARG 106 1HH2 ARG 106 31.288 15.017 15.017 1805 2HH1 ARG 106 2HH2 ARG 106 32.250 16.438 16.438 1806 1HH2 ARG 106 1HH1 ARG 106 33.792 15.252 15.252 1807 2HH2 ARG 106 2HH1 ARG 106 33.673 16.572 16.572 1808 H GLU 107 HN GLU 107 34.888 8.794 8.794 1809 HA GLU 107 HA GLU 107 35.324 9.105 9.105 1810 1HB GLU 107 2HB GLU 107 37.506 8.164 8.164 1811 2HB GLU 107 1HB GLU 107 37.097 9.210 9.210 1812 1HG GLU 107 2HG GLU 107 36.351 7.127 7.127 1813 2HG GLU 107 1HG GLU 107 37.111 6.209 6.209 1814 H TRP 108 HN TRP 108 34.144 6.448 6.448 1815 HA TRP 108 HA TRP 108 34.782 4.244 4.244 1816 1HB TRP 108 2HB TRP 108 32.357 4.957 4.957 1817 2HB TRP 108 1HB TRP 108 32.397 3.447 3.447 1818 HD1 TRP 108 1HD TRP 108 35.818 3.750 3.750 1819 HE1 TRP 108 1HE TRP 108 36.348 2.542 2.542 1820 HE3 TRP 108 3HE TRP 108 31.058 3.166 3.166 1821 HZ2 TRP 108 2HZ TRP 108 34.935 1.480 1.480 1822 HZ3 TRP 108 3HZ TRP 108 30.732 2.044 2.044 1823 HH2 TRP 108 2HH TRP 108 32.632 1.219 1.219 1824 H PHE 109 HN PHE 109 32.391 6.726 6.726 1825 HA PHE 109 HA PHE 109 31.467 5.302 5.302 1826 1HB PHE 109 2HB PHE 109 30.538 7.867 7.867 1827 2HB PHE 109 1HB PHE 109 29.848 7.209 7.209 1828 HD1 PHE 109 1HD PHE 109 30.710 5.982 5.982 1829 HD2 PHE 109 2HD PHE 109 27.886 6.065 6.065 1830 HE1 PHE 109 1HE PHE 109 29.173 4.603 4.603 1831 HE2 PHE 109 2HE PHE 109 26.342 4.687 4.687 1832 HZ PHE 109 HZ PHE 109 26.985 3.953 3.953 1833 H GLN 110 HN GLN 110 33.332 8.114 8.114 1834 HA GLN 110 HA GLN 110 33.616 8.955 8.955 1835 1HB GLN 110 2HB GLN 110 34.777 10.194 10.194 1836 2HB GLN 110 1HB GLN 110 34.765 10.905 10.905 1837 1HG GLN 110 2HG GLN 110 32.216 10.170 10.170 1838 2HG GLN 110 1HG GLN 110 33.030 11.698 11.698 1839 1HE2 GLN 110 2HE2 GLN 110 31.220 13.111 13.111 1840 2HE2 GLN 110 1HE2 GLN 110 31.642 13.098 13.098 1841 H GLY 111 HN GLY 111 34.692 6.504 6.504 1842 1HA GLY 111 2HA GLY 111 37.526 7.054 7.054 1843 2HA GLY 111 1HA GLY 111 37.132 5.893 5.893 1844 H ASP 112 HN ASP 112 37.688 3.962 3.962 1845 HA ASP 112 HA ASP 112 37.005 3.309 3.309 1846 1HB ASP 112 2HB ASP 112 39.044 2.314 2.314 1847 2HB ASP 112 1HB ASP 112 38.444 1.189 1.189 1848 H GLY 113 HN GLY 113 35.935 1.347 1.347 1849 1HA GLY 113 2HA GLY 113 34.809 -0.675 -0.675 1850 2HA GLY 113 1HA GLY 113 34.549 0.032 0.032 1851 H MET 114 HN MET 114 32.766 -1.093 -1.093 1852 HA MET 114 HA MET 114 31.145 1.088 1.088 1853 1HB MET 114 2HB MET 114 30.242 -1.780 -1.780 1854 2HB MET 114 1HB MET 114 29.731 -0.539 -0.539 1855 1HG MET 114 2HG MET 114 32.030 -0.555 -0.555 1856 2HG MET 114 1HG MET 114 32.396 -1.927 -1.927 1857 1HE MET 114 2HE MET 114 33.162 -3.350 -3.350 1858 2HE MET 114 1HE MET 114 32.208 -4.181 -4.181 1859 3HE MET 114 3HE MET 114 32.812 -2.553 -2.553 1860 H VAL 115 HN VAL 115 29.490 2.066 2.066 1861 HA VAL 115 HA VAL 115 28.600 0.976 0.976 1862 HB VAL 115 HB VAL 115 28.264 3.823 3.823 1863 1HG1 VAL 115 1HG1 VAL 115 27.347 2.339 2.339 1864 2HG1 VAL 115 3HG1 VAL 115 28.488 3.565 3.565 1865 3HG1 VAL 115 2HG1 VAL 115 27.075 4.036 4.036 1866 1HG2 VAL 115 1HG2 VAL 115 30.496 2.656 2.656 1867 2HG2 VAL 115 3HG2 VAL 115 30.643 3.316 3.316 1868 3HG2 VAL 115 2HG2 VAL 115 30.220 4.376 4.376 1869 H ARG 116 HN ARG 116 26.589 0.249 0.249 1870 HA ARG 116 HA ARG 116 24.738 0.643 0.643 1871 1HB ARG 116 2HB ARG 116 24.630 -1.104 -1.104 1872 2HB ARG 116 1HB ARG 116 23.332 -1.011 -1.011 1873 1HG ARG 116 2HG ARG 116 25.568 -1.516 -1.516 1874 2HG ARG 116 1HG ARG 116 25.825 -2.487 -2.487 1875 1HD ARG 116 2HD ARG 116 24.623 -3.927 -3.927 1876 2HD ARG 116 1HD ARG 116 23.363 -3.212 -3.212 1877 HE ARG 116 HE ARG 116 23.470 -1.604 -1.604 1878 1HH1 ARG 116 1HH2 ARG 116 23.017 -5.015 -5.015 1879 2HH1 ARG 116 2HH2 ARG 116 22.031 -5.238 -5.238 1880 1HH2 ARG 116 1HH1 ARG 116 22.172 -1.886 -1.886 1881 2HH2 ARG 116 2HH1 ARG 116 21.551 -3.459 -3.459 1882 H ARG 117 HN ARG 117 22.759 1.650 1.650 1883 HA ARG 117 HA ARG 117 22.058 2.916 2.916 1884 1HB ARG 117 2HB ARG 117 21.414 4.977 4.977 1885 2HB ARG 117 1HB ARG 117 23.113 4.727 4.727 1886 1HG ARG 117 2HG ARG 117 23.618 4.036 4.036 1887 2HG ARG 117 1HG ARG 117 21.922 3.751 3.751 1888 1HD ARG 117 2HD ARG 117 22.442 5.757 5.757 1889 2HD ARG 117 1HD ARG 117 21.601 6.259 6.259 1890 HE ARG 117 HE ARG 117 23.544 7.225 7.225 1891 1HH1 ARG 117 1HH2 ARG 117 24.235 5.206 5.206 1892 2HH1 ARG 117 2HH2 ARG 117 25.860 5.779 5.779 1893 1HH2 ARG 117 1HH1 ARG 117 25.683 7.986 7.986 1894 2HH2 ARG 117 2HH1 ARG 117 26.684 7.358 7.358 1895 H LYS 118 HN LYS 118 20.271 1.689 1.689 1896 HA LYS 118 HA LYS 118 18.311 1.295 1.295 1897 1HB LYS 118 2HB LYS 118 18.591 0.316 0.316 1898 2HB LYS 118 1HB LYS 118 17.070 0.140 0.140 1899 1HG LYS 118 2HG LYS 118 18.966 -0.811 -0.811 1900 2HG LYS 118 1HG LYS 118 19.506 -1.402 -1.402 1901 1HD LYS 118 2HD LYS 118 16.650 -1.672 -1.672 1902 2HD LYS 118 1HD LYS 118 17.872 -2.861 -2.861 1903 1HE LYS 118 2HE LYS 118 18.385 -3.205 -3.205 1904 2HE LYS 118 1HE LYS 118 17.114 -2.060 -2.060 1905 1HZ LYS 118 2HZ LYS 118 16.681 -4.581 -4.581 1906 2HZ LYS 118 1HZ LYS 118 16.395 -4.387 -4.387 1907 3HZ LYS 118 3HZ LYS 118 15.485 -3.510 -3.510 1908 H ASN 119 HN ASN 119 16.046 1.813 1.813 1909 HA ASN 119 HA ASN 119 15.514 4.004 4.004 1910 1HB ASN 119 2HB ASN 119 14.258 5.112 5.112 1911 2HB ASN 119 1HB ASN 119 15.979 5.386 5.386 1912 1HD2 ASN 119 2HD2 ASN 119 16.978 3.804 3.804 1913 2HD2 ASN 119 1HD2 ASN 119 17.441 4.524 4.524 1914 H LEU 120 HN LEU 120 13.714 3.559 3.559 1915 HA LEU 120 HA LEU 120 11.805 1.669 1.669 1916 1HB LEU 120 2HB LEU 120 11.627 2.829 2.829 1917 2HB LEU 120 1HB LEU 120 11.019 1.293 1.293 1918 HG LEU 120 HG LEU 120 13.971 1.826 1.826 1919 1HD1 LEU 120 1HD1 LEU 120 12.104 1.136 1.136 1920 2HD1 LEU 120 3HD1 LEU 120 13.747 0.494 0.494 1921 3HD1 LEU 120 2HD1 LEU 120 13.481 2.238 2.238 1922 1HD2 LEU 120 3HD2 LEU 120 12.854 -0.148 -0.148 1923 2HD2 LEU 120 2HD2 LEU 120 14.198 -0.483 -0.483 1924 3HD2 LEU 120 1HD2 LEU 120 12.540 -0.777 -0.777 1925 HA PRO 121 HA PRO 121 9.020 5.034 5.034 1926 1HB PRO 121 2HB PRO 121 6.976 3.626 3.626 1927 2HB PRO 121 1HB PRO 121 8.515 3.730 3.730 1928 1HG PRO 121 2HG PRO 121 7.433 1.511 1.511 1929 2HG PRO 121 1HG PRO 121 8.333 1.425 1.425 1930 1HD PRO 121 2HD PRO 121 9.435 1.073 1.073 1931 2HD PRO 121 1HD PRO 121 10.347 1.508 1.508 1932 H ILE 122 HN ILE 122 7.718 6.159 6.159 1933 HA ILE 122 HA ILE 122 6.086 4.695 4.695 1934 HB ILE 122 HB ILE 122 6.772 7.581 7.581 1935 1HG1 ILE 122 2HG1 ILE 122 8.928 6.477 6.477 1936 2HG1 ILE 122 1HG1 ILE 122 8.824 7.002 7.002 1937 1HG2 ILE 122 2HG2 ILE 122 5.358 5.665 5.665 1938 2HG2 ILE 122 1HG2 ILE 122 6.877 5.854 5.854 1939 3HG2 ILE 122 3HG2 ILE 122 5.857 7.259 7.259 1940 1HD1 ILE 122 2HD1 ILE 122 8.278 4.706 4.706 1941 2HD1 ILE 122 1HD1 ILE 122 8.445 4.198 4.198 1942 3HD1 ILE 122 3HD1 ILE 122 9.842 4.823 4.823 1943 H GLU 123 HN GLU 123 3.965 4.767 4.767 1944 HA GLU 123 HA GLU 123 2.895 7.098 7.098 1945 1HB GLU 123 2HB GLU 123 2.339 4.188 4.188 1946 2HB GLU 123 1HB GLU 123 1.003 5.305 5.305 1947 1HG GLU 123 2HG GLU 123 2.322 6.466 6.466 1948 2HG GLU 123 1HG GLU 123 3.619 5.294 5.294 1949 H TYR 124 HN TYR 124 0.712 7.724 7.724 1950 HA TYR 124 HA TYR 124 0.006 7.154 7.154 1951 1HB TYR 124 2HB TYR 124 -0.654 9.622 9.622 1952 2HB TYR 124 1HB TYR 124 -0.990 9.373 9.373 1953 HD1 TYR 124 2HD TYR 124 1.500 8.273 8.273 1954 HD2 TYR 124 1HD TYR 124 0.884 11.350 11.350 1955 HE1 TYR 124 2HE TYR 124 3.689 9.237 9.237 1956 HE2 TYR 124 1HE TYR 124 3.072 12.321 12.321 1957 HH TYR 124 HH TYR 124 5.428 10.737 10.737 1958 H ASN 125 HN ASN 125 -1.610 5.734 5.734 1959 HA ASN 125 HA ASN 125 -3.577 5.582 5.582 1960 1HB ASN 125 2HB ASN 125 -2.883 3.956 3.956 1961 2HB ASN 125 1HB ASN 125 -4.528 3.838 3.838 1962 1HD2 ASN 125 2HD2 ASN 125 -2.946 1.186 1.186 1963 2HD2 ASN 125 1HD2 ASN 125 -3.681 1.574 1.574 1964 H LEU 126 HN LEU 126 -4.500 7.690 7.690 1965 HA LEU 126 HA LEU 126 -5.809 8.443 8.443 1966 1HB LEU 126 2HB LEU 126 -5.893 9.508 9.508 1967 2HB LEU 126 1HB LEU 126 -6.886 10.180 10.180 1968 HG LEU 126 HG LEU 126 -3.878 10.030 10.030 1969 1HD1 LEU 126 1HD1 LEU 126 -4.731 11.434 11.434 1970 2HD1 LEU 126 3HD1 LEU 126 -5.526 12.448 12.448 1971 3HD1 LEU 126 2HD1 LEU 126 -3.769 12.294 12.294 1972 1HD2 LEU 126 1HD2 LEU 126 -5.997 11.409 11.409 1973 2HD2 LEU 126 3HD2 LEU 126 -4.814 10.216 10.216 1974 3HD2 LEU 126 2HD2 LEU 126 -4.287 11.837 11.837
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