REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ojn_1_C DATA FIRST_RESID 4 DATA SEQUENCE EIPKPVAPAP DILRCAYAEL VVTDLAKSRN FYVDVLGLHV SYEDENQIYL DATA SEQUENCE RSFEEFIHHN LVLTKGPVAA LKAMAFRVRT PEDVDKAEAY YQELGCRTER DATA SEQUENCE RKDGFVKGIG DALRVEDPLG FPYEFFFETT HVERLHMRYD LYSAGELVRL DATA SEQUENCE DHFNQVTPDV PRGRKYLEDL GFRVTEDIQD DEGTTYAAWM HRKGTVHDTA DATA SEQUENCE LTGGNGPRLH HVAFSTHEKH NIIQICDKMG ALRISDRIER GPGRHGVSNA DATA SEQUENCE FYLYILDPDN HRIEIYTQDY YTGDPDNPTI TWNVHDNQRR DWWGNPVVPS DATA SEQUENCE WYTEASKVLD LDGNVQEIIE RTDDSELEVT IGADGFSFTR AGDEDGSYHG DATA SEQUENCE QASK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.586 176.600 -0.023 0.000 1.382 4 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 4 E CB 0.000 29.688 29.700 -0.020 0.000 0.812 5 I N 4.021 124.582 120.570 -0.015 0.000 2.396 5 I HA 0.283 4.455 4.170 0.003 0.000 0.289 5 I C -1.876 174.231 176.117 -0.017 0.000 1.056 5 I CA -2.071 59.210 61.300 -0.031 0.000 1.365 5 I CB 0.446 38.424 38.000 -0.037 0.000 1.407 5 I HN 0.032 8.242 8.210 0.000 0.000 0.509 6 P HA 0.067 4.487 4.420 0.000 0.000 0.275 6 P C -0.791 176.465 177.300 -0.072 0.000 1.227 6 P CA -0.593 62.475 63.100 -0.052 0.000 0.781 6 P CB 0.789 32.448 31.700 -0.069 0.000 0.906 7 K N 4.214 124.582 120.400 -0.052 0.000 2.383 7 K HA 0.211 4.533 4.320 0.003 0.000 0.286 7 K C -2.031 174.485 176.600 -0.140 0.000 1.051 7 K CA -1.470 54.779 56.287 -0.064 0.000 0.974 7 K CB -0.399 32.096 32.500 -0.009 0.000 0.968 7 K HN 0.313 8.563 8.250 0.000 0.000 0.475 8 P HA -0.093 4.327 4.420 0.000 0.000 0.269 8 P C 0.523 177.735 177.300 -0.147 0.000 1.215 8 P CA -0.360 62.548 63.100 -0.320 0.000 0.780 8 P CB 0.938 32.212 31.700 -0.710 0.000 0.898 9 V N 1.756 121.609 119.914 -0.102 0.000 2.548 9 V HA -0.058 4.063 4.120 0.003 0.000 0.249 9 V C 0.926 177.010 176.094 -0.017 0.000 1.055 9 V CA 1.587 63.861 62.300 -0.045 0.000 1.065 9 V CB -0.959 30.841 31.823 -0.037 0.000 0.681 9 V HN 0.695 8.885 8.190 0.000 0.000 0.462 10 A N 2.500 125.303 122.820 -0.027 0.000 2.511 10 A HA 0.411 4.732 4.320 0.003 0.000 0.242 10 A C -2.061 175.602 177.584 0.131 0.000 1.069 10 A CA -0.782 51.276 52.037 0.035 0.000 0.763 10 A CB -0.393 18.627 19.000 0.033 0.000 1.001 10 A HN 0.446 8.596 8.150 0.000 0.000 0.498 11 P HA 0.251 4.671 4.420 0.000 0.000 0.268 11 P C -0.033 177.301 177.300 0.057 0.000 1.205 11 P CA 0.193 63.336 63.100 0.072 0.000 0.771 11 P CB 0.674 32.380 31.700 0.011 0.000 0.858 12 A N 5.956 128.730 122.820 -0.077 0.000 2.483 12 A HA 0.329 4.651 4.320 0.003 0.000 0.238 12 A C -1.756 175.622 177.584 -0.343 0.000 1.070 12 A CA -0.982 50.767 52.037 -0.481 0.000 0.770 12 A CB -1.280 17.444 19.000 -0.461 0.000 1.008 12 A HN 0.469 8.619 8.150 0.000 0.000 0.497 13 P HA 0.075 4.495 4.420 0.000 0.000 0.271 13 P C -0.842 176.315 177.300 -0.238 0.000 1.218 13 P CA -0.148 62.783 63.100 -0.280 0.000 0.780 13 P CB 0.569 32.056 31.700 -0.355 0.000 0.901 14 D N 2.526 122.834 120.400 -0.153 0.000 2.393 14 D HA 0.213 4.854 4.640 0.003 0.000 0.232 14 D C -0.231 176.005 176.300 -0.107 0.000 1.192 14 D CA -0.274 53.646 54.000 -0.134 0.000 0.882 14 D CB -0.502 40.242 40.800 -0.092 0.000 1.038 14 D HN 0.192 8.562 8.370 0.000 0.000 0.499 15 I N 4.942 125.416 120.570 -0.160 0.000 2.342 15 I HA 0.074 4.246 4.170 0.003 0.000 0.291 15 I C 1.560 177.597 176.117 -0.135 0.000 1.010 15 I CA -0.588 60.638 61.300 -0.123 0.000 1.308 15 I CB 1.627 39.493 38.000 -0.224 0.000 1.400 15 I HN 0.320 8.530 8.210 0.000 0.000 0.488 16 L N 6.089 127.280 121.223 -0.054 0.000 2.084 16 L HA 0.138 4.479 4.340 0.003 0.000 0.202 16 L C 0.733 177.580 176.870 -0.038 0.000 1.074 16 L CA 0.842 55.658 54.840 -0.039 0.000 0.757 16 L CB -0.166 41.890 42.059 -0.005 0.000 0.918 16 L HN 0.693 8.923 8.230 0.000 0.000 0.444 17 R N -1.434 119.067 120.500 0.001 0.000 2.828 17 R HA 0.265 4.607 4.340 0.003 0.000 0.280 17 R C -0.868 175.480 176.300 0.080 0.000 1.020 17 R CA -0.848 55.265 56.100 0.022 0.000 0.855 17 R CB 0.247 30.529 30.300 -0.030 0.000 1.278 17 R HN 0.052 8.322 8.270 0.000 0.000 0.495 18 C N 0.200 119.482 119.300 -0.030 0.000 2.642 18 C HA 0.703 5.165 4.460 0.003 0.000 0.420 18 C C 1.253 176.056 174.990 -0.312 0.000 1.349 18 C CA 0.394 59.163 59.018 -0.415 0.000 1.821 18 C CB 0.125 27.291 27.740 -0.956 0.000 2.637 18 C HN 0.932 9.162 8.230 0.000 0.000 0.605 19 A N 2.822 125.506 122.820 -0.227 0.000 1.917 19 A HA 0.598 4.919 4.320 0.003 0.000 0.200 19 A C 0.250 177.923 177.584 0.148 0.000 1.671 19 A CA 0.640 52.681 52.037 0.006 0.000 1.034 19 A CB 0.057 19.190 19.000 0.221 0.000 1.057 19 A HN 1.658 9.808 8.150 0.000 0.000 0.507 20 Y N -3.141 117.194 120.300 0.057 0.000 2.656 20 Y HA 0.747 5.299 4.550 0.003 0.000 0.334 20 Y C -0.810 175.144 175.900 0.091 0.000 1.179 20 Y CA -1.213 56.945 58.100 0.097 0.000 1.050 20 Y CB 0.625 39.191 38.460 0.177 0.000 1.308 20 Y HN 0.423 8.703 8.280 0.000 0.000 0.456 21 A N 1.505 124.429 122.820 0.174 0.000 2.365 21 A HA 0.619 4.941 4.320 0.003 0.000 0.318 21 A C -1.326 176.297 177.584 0.064 0.000 1.091 21 A CA -0.792 51.193 52.037 -0.087 0.000 0.763 21 A CB 1.620 20.539 19.000 -0.134 0.000 1.248 21 A HN 0.792 8.942 8.150 0.000 0.000 0.442 22 E N 2.436 122.605 120.200 -0.051 0.000 2.113 22 E HA 0.535 4.886 4.350 0.003 0.000 0.273 22 E C -1.495 175.013 176.600 -0.154 0.000 0.924 22 E CA -0.309 56.055 56.400 -0.060 0.000 0.764 22 E CB 0.629 30.324 29.700 -0.008 0.000 1.104 22 E HN 0.620 8.980 8.360 0.000 0.000 0.406 23 L N 4.624 125.735 121.223 -0.186 0.000 2.296 23 L HA 0.410 4.752 4.340 0.003 0.000 0.286 23 L C -0.375 176.421 176.870 -0.123 0.000 1.023 23 L CA -1.155 53.543 54.840 -0.237 0.000 0.812 23 L CB 1.769 43.613 42.059 -0.358 0.000 1.223 23 L HN 0.345 8.575 8.230 0.000 0.000 0.421 24 V N 4.096 123.979 119.914 -0.052 0.000 2.530 24 V HA 0.299 4.421 4.120 0.003 0.000 0.282 24 V C 0.235 176.401 176.094 0.121 0.000 1.048 24 V CA -0.462 61.847 62.300 0.015 0.000 0.997 24 V CB 1.505 33.337 31.823 0.015 0.000 0.987 24 V HN 0.556 8.746 8.190 0.000 0.000 0.477 25 V N 1.853 121.812 119.914 0.074 0.000 2.914 25 V HA 0.641 4.763 4.120 0.003 0.000 0.314 25 V C 0.705 176.819 176.094 0.033 0.000 1.084 25 V CA 0.174 62.526 62.300 0.085 0.000 0.963 25 V CB 1.695 33.576 31.823 0.095 0.000 1.025 25 V HN 0.847 9.037 8.190 0.000 0.000 0.432 26 T N -2.164 112.397 114.554 0.013 0.000 3.044 26 T HA 0.141 4.493 4.350 0.003 0.000 0.255 26 T C 0.438 175.138 174.700 0.001 0.000 1.073 26 T CA 1.119 63.218 62.100 -0.002 0.000 1.125 26 T CB -0.051 68.805 68.868 -0.021 0.000 0.908 26 T HN 0.817 9.057 8.240 0.000 0.000 0.480 27 D N 0.421 120.825 120.400 0.007 0.000 2.421 27 D HA 0.249 4.891 4.640 0.003 0.000 0.254 27 D C 0.567 176.883 176.300 0.026 0.000 1.238 27 D CA -0.539 53.467 54.000 0.010 0.000 0.919 27 D CB 1.776 42.578 40.800 0.002 0.000 1.152 27 D HN 0.025 8.395 8.370 0.000 0.000 0.552 28 L N 4.512 125.749 121.223 0.024 0.000 2.046 28 L HA -0.023 4.319 4.340 0.003 0.000 0.208 28 L C 2.175 179.071 176.870 0.042 0.000 1.077 28 L CA 2.232 57.090 54.840 0.031 0.000 0.747 28 L CB -0.425 41.644 42.059 0.017 0.000 0.896 28 L HN 0.516 8.746 8.230 0.000 0.000 0.432 29 A N -0.871 121.968 122.820 0.031 0.000 1.898 29 A HA -0.204 4.117 4.320 0.003 0.000 0.216 29 A C 2.313 179.925 177.584 0.046 0.000 1.181 29 A CA 1.728 53.784 52.037 0.032 0.000 0.620 29 A CB -0.445 18.566 19.000 0.019 0.000 0.819 29 A HN 0.451 8.601 8.150 0.000 0.000 0.442 30 K N -0.076 120.350 120.400 0.042 0.000 2.057 30 K HA -0.083 4.239 4.320 0.003 0.000 0.207 30 K C 2.342 178.998 176.600 0.093 0.000 1.049 30 K CA 1.522 57.837 56.287 0.048 0.000 0.931 30 K CB -0.236 32.275 32.500 0.019 0.000 0.714 30 K HN 0.426 8.676 8.250 0.000 0.000 0.440 31 S N 0.827 116.598 115.700 0.119 0.000 2.368 31 S HA -0.124 4.347 4.470 0.003 0.000 0.224 31 S C 1.912 176.699 174.600 0.312 0.000 1.029 31 S CA 0.930 59.273 58.200 0.238 0.000 0.988 31 S CB -0.140 63.196 63.200 0.226 0.000 0.838 31 S HN 0.299 8.609 8.310 0.000 0.000 0.462 32 R N 1.550 122.157 120.500 0.180 0.000 2.091 32 R HA -0.148 4.194 4.340 0.003 0.000 0.238 32 R C 2.121 178.492 176.300 0.119 0.000 1.136 32 R CA 1.812 57.996 56.100 0.140 0.000 0.959 32 R CB -0.415 29.926 30.300 0.068 0.000 0.856 32 R HN 0.394 8.664 8.270 0.000 0.000 0.437 33 N N -0.379 118.379 118.700 0.097 0.000 2.223 33 N HA -0.202 4.539 4.740 0.003 0.000 0.185 33 N C 1.509 177.054 175.510 0.059 0.000 1.016 33 N CA 1.322 54.408 53.050 0.060 0.000 0.863 33 N CB -0.221 38.298 38.487 0.053 0.000 0.983 33 N HN 0.240 8.620 8.380 0.000 0.000 0.429 34 F N -0.373 119.533 119.950 -0.073 0.000 2.098 34 F HA -0.020 4.510 4.527 0.004 0.000 0.294 34 F C 1.407 177.052 175.800 -0.259 0.000 1.107 34 F CA 1.334 59.211 58.000 -0.205 0.000 1.234 34 F CB -0.423 38.388 39.000 -0.314 0.000 1.002 34 F HN 0.060 8.360 8.300 0.000 0.000 0.472 35 Y N -0.960 119.362 120.300 0.036 0.000 2.365 35 Y HA -0.039 4.513 4.550 0.002 0.000 0.293 35 Y C 2.181 177.971 175.900 -0.183 0.000 1.119 35 Y CA 1.177 59.213 58.100 -0.107 0.000 1.203 35 Y CB -0.486 37.981 38.460 0.011 0.000 1.026 35 Y HN -0.092 8.188 8.280 0.000 0.000 0.549 36 V N -0.785 119.132 119.914 0.005 0.000 2.490 36 V HA -0.119 4.003 4.120 0.003 0.000 0.238 36 V C 1.568 177.591 176.094 -0.118 0.000 1.056 36 V CA 1.522 63.781 62.300 -0.068 0.000 1.075 36 V CB -0.319 31.488 31.823 -0.028 0.000 0.746 36 V HN 0.201 8.391 8.190 0.000 0.000 0.479 37 D N 0.284 120.630 120.400 -0.091 0.000 2.137 37 D HA -0.070 4.572 4.640 0.003 0.000 0.202 37 D C 2.107 178.320 176.300 -0.145 0.000 0.970 37 D CA 1.160 55.103 54.000 -0.096 0.000 0.837 37 D CB 0.046 40.813 40.800 -0.054 0.000 0.981 37 D HN 0.287 8.657 8.370 0.000 0.000 0.475 38 V N 0.899 120.687 119.914 -0.211 0.000 2.300 38 V HA -0.079 4.043 4.120 0.003 0.000 0.241 38 V C 2.466 178.355 176.094 -0.342 0.000 1.034 38 V CA 0.944 63.072 62.300 -0.287 0.000 1.021 38 V CB -0.246 31.338 31.823 -0.398 0.000 0.662 38 V HN 0.123 8.313 8.190 0.000 0.000 0.458 39 L N 0.149 121.108 121.223 -0.440 0.000 2.446 39 L HA 0.301 4.642 4.340 0.003 0.000 0.219 39 L C 1.738 178.418 176.870 -0.318 0.000 1.116 39 L CA 0.917 55.512 54.840 -0.408 0.000 0.844 39 L CB -0.347 41.409 42.059 -0.504 0.000 0.970 39 L HN 0.621 8.851 8.230 0.000 0.000 0.457 40 G N 0.880 109.509 108.800 -0.285 0.000 2.143 40 G HA2 -0.273 3.688 3.960 0.003 0.000 0.248 40 G HA3 -0.273 3.688 3.960 0.003 0.000 0.248 40 G C 0.260 174.905 174.900 -0.426 0.000 0.991 40 G CA -0.154 44.761 45.100 -0.309 0.000 0.689 40 G HN 0.206 8.496 8.290 0.000 0.000 0.522 41 L N 0.909 121.934 121.223 -0.330 0.000 2.483 41 L HA 0.281 4.623 4.340 0.003 0.000 0.275 41 L C 1.016 177.672 176.870 -0.358 0.000 1.220 41 L CA -0.411 54.250 54.840 -0.298 0.000 0.833 41 L CB 0.337 42.294 42.059 -0.170 0.000 1.102 41 L HN 0.204 8.434 8.230 0.000 0.000 0.490 42 H N 1.327 120.400 119.070 0.005 0.000 2.489 42 H HA 0.221 4.779 4.556 0.003 0.000 0.322 42 H C -0.571 174.764 175.328 0.012 0.000 1.091 42 H CA -0.683 55.377 56.048 0.020 0.000 1.291 42 H CB 1.641 31.430 29.762 0.044 0.000 1.436 42 H HN 0.206 8.486 8.280 0.000 0.000 0.480 43 V N 3.509 123.481 119.914 0.098 0.000 2.439 43 V HA -0.057 4.065 4.120 0.003 0.000 0.271 43 V C 1.040 177.168 176.094 0.056 0.000 1.040 43 V CA 0.330 62.667 62.300 0.062 0.000 1.002 43 V CB 0.955 32.796 31.823 0.030 0.000 1.000 43 V HN 0.831 9.021 8.190 0.000 0.000 0.477 44 S N 3.526 119.247 115.700 0.035 0.000 2.470 44 S HA 0.166 4.638 4.470 0.003 0.000 0.222 44 S C -0.101 174.540 174.600 0.067 0.000 1.024 44 S CA 0.436 58.597 58.200 -0.065 0.000 0.931 44 S CB 0.097 63.078 63.200 -0.364 0.000 0.791 44 S HN 0.752 9.062 8.310 0.000 0.000 0.513 45 Y N 1.105 121.413 120.300 0.014 0.000 2.573 45 Y HA 0.413 4.965 4.550 0.003 0.000 0.328 45 Y C -1.907 174.072 175.900 0.132 0.000 1.170 45 Y CA -1.104 57.014 58.100 0.031 0.000 1.078 45 Y CB 0.803 39.207 38.460 -0.093 0.000 1.341 45 Y HN 0.175 8.455 8.280 0.000 0.000 0.459 46 E N 3.115 122.917 120.200 -0.664 0.000 2.390 46 E HA 0.632 4.984 4.350 0.003 0.000 0.277 46 E C -2.017 174.264 176.600 -0.532 0.000 0.939 46 E CA -0.895 55.295 56.400 -0.349 0.000 0.769 46 E CB 3.169 32.794 29.700 -0.126 0.000 1.251 46 E HN 0.512 8.872 8.360 0.000 0.000 0.450 47 D N 0.054 120.359 120.400 -0.157 0.000 2.895 47 D HA 0.065 4.707 4.640 0.003 0.000 0.320 47 D C 0.557 176.856 176.300 -0.002 0.000 1.249 47 D CA -0.592 53.368 54.000 -0.068 0.000 0.997 47 D CB 0.084 40.918 40.800 0.058 0.000 1.430 47 D HN 0.456 8.826 8.370 0.000 0.000 0.558 48 E N -0.316 119.893 120.200 0.016 0.000 2.478 48 E HA -0.052 4.300 4.350 0.003 0.000 0.198 48 E C 0.184 176.800 176.600 0.026 0.000 1.046 48 E CA 0.584 56.993 56.400 0.015 0.000 0.870 48 E CB -0.283 29.425 29.700 0.015 0.000 0.818 48 E HN 0.362 8.722 8.360 0.000 0.000 0.527 49 N N 0.245 118.973 118.700 0.046 0.000 2.332 49 N HA 0.080 4.822 4.740 0.003 0.000 0.190 49 N C 0.106 175.637 175.510 0.035 0.000 1.117 49 N CA 0.266 53.341 53.050 0.042 0.000 0.883 49 N CB 0.882 39.402 38.487 0.056 0.000 1.089 49 N HN 0.189 8.569 8.380 0.000 0.000 0.480 50 Q N 0.092 119.929 119.800 0.063 0.000 2.418 50 Q HA 0.563 4.905 4.340 0.003 0.000 0.282 50 Q C -1.243 174.783 176.000 0.044 0.000 1.044 50 Q CA -0.486 55.327 55.803 0.016 0.000 0.813 50 Q CB 3.034 31.795 28.738 0.038 0.000 1.428 50 Q HN -0.007 8.264 8.270 0.000 0.000 0.402 51 I N 1.475 122.001 120.570 -0.073 0.000 2.466 51 I HA 0.376 4.548 4.170 0.003 0.000 0.289 51 I C -1.375 174.657 176.117 -0.140 0.000 1.026 51 I CA -0.738 60.555 61.300 -0.012 0.000 1.078 51 I CB 1.272 39.256 38.000 -0.026 0.000 1.249 51 I HN 0.518 8.728 8.210 0.000 0.000 0.429 52 Y N 6.473 126.757 120.300 -0.026 0.000 2.331 52 Y HA 0.657 5.209 4.550 0.003 0.000 0.338 52 Y C -0.269 175.606 175.900 -0.043 0.000 0.992 52 Y CA -0.636 57.421 58.100 -0.072 0.000 1.121 52 Y CB 1.377 39.848 38.460 0.018 0.000 1.184 52 Y HN 0.285 8.565 8.280 0.000 0.000 0.469 53 L N 4.962 126.225 121.223 0.067 0.000 2.401 53 L HA 0.719 5.061 4.340 0.003 0.000 0.266 53 L C -0.650 176.292 176.870 0.121 0.000 0.991 53 L CA -1.091 53.787 54.840 0.064 0.000 0.818 53 L CB 2.575 44.630 42.059 -0.007 0.000 1.321 53 L HN 0.645 8.875 8.230 0.000 0.000 0.413 54 R N 0.288 120.864 120.500 0.127 0.000 2.808 54 R HA 0.725 5.067 4.340 0.003 0.000 0.272 54 R C -0.687 175.738 176.300 0.209 0.000 0.995 54 R CA -0.683 55.511 56.100 0.157 0.000 0.917 54 R CB 1.875 32.229 30.300 0.091 0.000 1.217 54 R HN 0.632 8.902 8.270 0.000 0.000 0.471 55 S N 0.869 116.706 115.700 0.228 0.000 2.634 55 S HA 0.108 4.580 4.470 0.003 0.000 0.261 55 S C 0.692 175.466 174.600 0.290 0.000 1.271 55 S CA -0.705 57.656 58.200 0.269 0.000 0.985 55 S CB 0.358 63.732 63.200 0.291 0.000 0.968 55 S HN 0.596 8.906 8.310 0.000 0.000 0.568 56 F N 1.240 121.274 119.950 0.140 0.000 2.161 56 F HA -0.006 4.522 4.527 0.001 0.000 0.300 56 F C 2.108 177.938 175.800 0.050 0.000 1.089 56 F CA 1.766 59.799 58.000 0.056 0.000 1.282 56 F CB -0.299 38.772 39.000 0.118 0.000 1.010 56 F HN 0.754 9.054 8.300 0.000 0.000 0.485 57 E N -0.515 119.780 120.200 0.158 0.000 2.476 57 E HA 0.003 4.355 4.350 0.003 0.000 0.196 57 E C 0.071 176.701 176.600 0.050 0.000 1.029 57 E CA -0.171 56.274 56.400 0.076 0.000 0.896 57 E CB 0.150 29.947 29.700 0.162 0.000 1.012 57 E HN 0.178 8.538 8.360 0.000 0.000 0.475 58 E N 0.447 120.673 120.200 0.042 0.000 2.331 58 E HA 0.045 4.397 4.350 0.003 0.000 0.272 58 E C 0.011 176.613 176.600 0.003 0.000 1.036 58 E CA -0.229 56.169 56.400 -0.002 0.000 0.864 58 E CB 0.448 30.137 29.700 -0.019 0.000 1.035 58 E HN 0.139 8.499 8.360 0.000 0.000 0.408 59 F N 4.162 124.038 119.950 -0.122 0.000 2.727 59 F HA 0.330 4.859 4.527 0.003 0.000 0.302 59 F C 0.587 176.271 175.800 -0.195 0.000 1.107 59 F CA -0.657 57.241 58.000 -0.169 0.000 1.277 59 F CB -0.492 38.366 39.000 -0.236 0.000 1.079 59 F HN 0.376 8.676 8.300 0.000 0.000 0.594 60 I N -0.586 119.437 120.570 -0.911 0.000 3.138 60 I HA 0.099 4.271 4.170 0.003 0.000 0.288 60 I C 2.073 178.048 176.117 -0.236 0.000 1.148 60 I CA -0.341 60.627 61.300 -0.554 0.000 1.315 60 I CB 0.268 37.947 38.000 -0.536 0.000 1.426 60 I HN 0.142 8.352 8.210 0.000 0.000 0.615 61 H N 2.132 121.036 119.070 -0.276 0.000 2.387 61 H HA -0.108 4.449 4.556 0.003 0.000 0.299 61 H C -0.133 175.165 175.328 -0.051 0.000 1.099 61 H CA 1.976 57.929 56.048 -0.159 0.000 1.315 61 H CB 0.172 29.835 29.762 -0.165 0.000 1.380 61 H HN 0.820 9.100 8.280 0.000 0.000 0.513 62 H N -3.044 116.005 119.070 -0.036 0.000 3.037 62 H HA 0.154 4.712 4.556 0.003 0.000 0.336 62 H C -0.740 174.600 175.328 0.019 0.000 1.323 62 H CA -0.605 55.429 56.048 -0.024 0.000 1.159 62 H CB 0.518 30.314 29.762 0.057 0.000 1.882 62 H HN 0.035 8.315 8.280 0.000 0.000 0.535 63 N N -0.248 118.609 118.700 0.262 0.000 2.227 63 N HA 0.186 4.927 4.740 0.003 0.000 0.196 63 N C -0.704 175.021 175.510 0.360 0.000 1.142 63 N CA 0.013 53.237 53.050 0.291 0.000 0.887 63 N CB 1.059 39.725 38.487 0.298 0.000 1.022 63 N HN 0.262 8.642 8.380 0.000 0.000 0.500 64 L N 0.827 122.218 121.223 0.281 0.000 2.543 64 L HA 0.469 4.811 4.340 0.003 0.000 0.265 64 L C -1.832 174.963 176.870 -0.124 0.000 0.945 64 L CA -0.772 54.140 54.840 0.121 0.000 0.869 64 L CB 1.902 44.017 42.059 0.092 0.000 1.294 64 L HN -0.302 7.928 8.230 0.000 0.000 0.405 65 V N 5.900 125.675 119.914 -0.232 0.000 2.409 65 V HA 0.508 4.630 4.120 0.003 0.000 0.291 65 V C -0.288 175.588 176.094 -0.363 0.000 1.020 65 V CA -0.523 61.468 62.300 -0.516 0.000 0.848 65 V CB 1.631 33.026 31.823 -0.714 0.000 0.990 65 V HN 0.591 8.781 8.190 0.000 0.000 0.430 66 L N 4.465 125.471 121.223 -0.360 0.000 2.265 66 L HA 0.583 4.925 4.340 0.003 0.000 0.289 66 L C 0.099 176.853 176.870 -0.193 0.000 1.033 66 L CA -0.063 54.635 54.840 -0.237 0.000 0.814 66 L CB 1.459 43.407 42.059 -0.185 0.000 1.203 66 L HN 0.564 8.794 8.230 0.000 0.000 0.423 67 T N 2.650 117.123 114.554 -0.135 0.000 2.792 67 T HA 0.219 4.571 4.350 0.003 0.000 0.280 67 T C -0.151 174.527 174.700 -0.037 0.000 0.990 67 T CA -0.649 61.397 62.100 -0.089 0.000 0.960 67 T CB 1.681 70.498 68.868 -0.085 0.000 0.939 67 T HN 0.410 8.650 8.240 0.000 0.000 0.439 68 K N 2.212 122.601 120.400 -0.018 0.000 2.412 68 K HA 0.504 4.825 4.320 0.003 0.000 0.281 68 K C 0.220 176.820 176.600 0.001 0.000 1.027 68 K CA -0.076 56.210 56.287 -0.002 0.000 0.989 68 K CB 0.118 32.621 32.500 0.005 0.000 0.935 68 K HN 0.838 9.088 8.250 0.000 0.000 0.475 69 G N 3.239 112.041 108.800 0.003 0.000 2.623 69 G HA2 0.278 4.240 3.960 0.003 0.000 0.290 69 G HA3 0.278 4.240 3.960 0.003 0.000 0.290 69 G C -2.489 172.411 174.900 0.000 0.000 1.437 69 G CA -0.941 44.160 45.100 0.002 0.000 0.798 69 G HN 0.451 8.741 8.290 0.000 0.000 0.488 70 P HA 0.110 4.530 4.420 0.000 0.000 0.224 70 P C 0.233 177.526 177.300 -0.011 0.000 1.157 70 P CA 0.567 63.663 63.100 -0.007 0.000 0.799 70 P CB 0.600 32.295 31.700 -0.008 0.000 0.809 71 V N 0.519 120.427 119.914 -0.009 0.000 2.482 71 V HA 0.534 4.656 4.120 0.003 0.000 0.295 71 V C 0.084 176.179 176.094 0.002 0.000 1.026 71 V CA -1.435 60.857 62.300 -0.013 0.000 0.856 71 V CB 1.395 33.208 31.823 -0.017 0.000 1.001 71 V HN 0.071 8.261 8.190 0.000 0.000 0.424 72 A N 3.955 126.771 122.820 -0.005 0.000 2.488 72 A HA 0.812 5.134 4.320 0.003 0.000 0.249 72 A C 0.421 178.068 177.584 0.105 0.000 1.083 72 A CA 0.720 52.782 52.037 0.042 0.000 0.768 72 A CB 0.207 19.145 19.000 -0.104 0.000 1.017 72 A HN 1.871 10.021 8.150 0.000 0.000 0.496 73 A N 1.861 124.810 122.820 0.214 0.000 2.597 73 A HA 0.538 4.859 4.320 0.003 0.000 0.292 73 A C -0.993 176.601 177.584 0.017 0.000 1.057 73 A CA -0.649 51.471 52.037 0.137 0.000 0.674 73 A CB 0.345 19.360 19.000 0.025 0.000 1.278 73 A HN 1.890 10.040 8.150 0.000 0.000 0.416 74 L N 1.012 122.205 121.223 -0.051 0.000 2.418 74 L HA 0.449 4.791 4.340 0.003 0.000 0.274 74 L C 1.084 177.888 176.870 -0.110 0.000 1.135 74 L CA 0.670 55.429 54.840 -0.136 0.000 0.870 74 L CB 0.432 42.420 42.059 -0.118 0.000 1.154 74 L HN 0.858 9.088 8.230 0.000 0.000 0.462 75 K N 3.803 124.125 120.400 -0.129 0.000 2.244 75 K HA 0.456 4.777 4.320 0.003 0.000 0.200 75 K C -0.194 176.316 176.600 -0.149 0.000 1.052 75 K CA 0.627 56.846 56.287 -0.114 0.000 0.980 75 K CB 0.391 32.837 32.500 -0.090 0.000 0.838 75 K HN 0.764 9.014 8.250 0.000 0.000 0.481 76 A N 0.844 123.546 122.820 -0.197 0.000 2.540 76 A HA 0.461 4.783 4.320 0.003 0.000 0.297 76 A C -1.429 175.896 177.584 -0.431 0.000 1.056 76 A CA -0.703 51.172 52.037 -0.269 0.000 0.700 76 A CB 1.131 19.966 19.000 -0.274 0.000 1.280 76 A HN 0.135 8.285 8.150 0.000 0.000 0.398 77 M N 2.247 121.531 119.600 -0.526 0.000 2.088 77 M HA 0.540 5.022 4.480 0.003 0.000 0.346 77 M C 0.175 175.925 176.300 -0.917 0.000 1.111 77 M CA -0.073 54.634 55.300 -0.988 0.000 1.017 77 M CB 1.492 33.399 32.600 -1.155 0.000 1.568 77 M HN 0.916 9.206 8.290 0.000 0.000 0.445 78 A N 4.392 126.646 122.820 -0.944 0.000 2.317 78 A HA 0.855 5.176 4.320 0.003 0.000 0.327 78 A C -1.324 175.865 177.584 -0.658 0.000 1.178 78 A CA -0.446 51.139 52.037 -0.754 0.000 0.817 78 A CB 0.550 18.939 19.000 -1.017 0.000 1.189 78 A HN 0.731 8.881 8.150 0.000 0.000 0.489 79 F N 0.904 120.682 119.950 -0.287 0.000 2.495 79 F HA 0.559 5.087 4.527 0.003 0.000 0.327 79 F C 0.707 176.319 175.800 -0.313 0.000 1.103 79 F CA -0.470 57.403 58.000 -0.212 0.000 0.949 79 F CB 1.884 40.759 39.000 -0.208 0.000 1.142 79 F HN 0.630 8.930 8.300 0.000 0.000 0.457 80 R N 2.493 122.838 120.500 -0.258 0.000 2.308 80 R HA 0.626 4.967 4.340 0.003 0.000 0.305 80 R C -0.813 175.382 176.300 -0.174 0.000 1.053 80 R CA -0.526 55.213 56.100 -0.601 0.000 0.957 80 R CB 0.976 30.952 30.300 -0.539 0.000 1.022 80 R HN 0.648 8.918 8.270 0.000 0.000 0.461 81 V N 1.796 121.645 119.914 -0.108 0.000 3.093 81 V HA 0.433 4.555 4.120 0.003 0.000 0.320 81 V C 1.104 177.291 176.094 0.156 0.000 1.093 81 V CA -0.735 61.599 62.300 0.056 0.000 1.016 81 V CB 1.810 33.692 31.823 0.099 0.000 1.096 81 V HN 0.920 9.110 8.190 0.000 0.000 0.452 82 R N 0.589 121.145 120.500 0.094 0.000 2.119 82 R HA 0.096 4.438 4.340 0.003 0.000 0.222 82 R C 0.778 177.097 176.300 0.032 0.000 1.088 82 R CA 1.466 57.631 56.100 0.108 0.000 0.984 82 R CB 0.001 30.313 30.300 0.020 0.000 0.884 82 R HN 1.047 9.317 8.270 0.000 0.000 0.447 83 T N -4.585 109.881 114.554 -0.146 0.000 2.883 83 T HA 0.369 4.721 4.350 0.003 0.000 0.301 83 T C -2.437 171.997 174.700 -0.444 0.000 1.158 83 T CA -1.984 59.800 62.100 -0.526 0.000 1.007 83 T CB 2.189 70.879 68.868 -0.297 0.000 1.186 83 T HN -0.256 7.984 8.240 0.000 0.000 0.499 84 P HA -0.078 4.342 4.420 0.000 0.000 0.216 84 P C 0.953 178.225 177.300 -0.046 0.000 1.150 84 P CA 1.218 64.225 63.100 -0.154 0.000 0.843 84 P CB 0.014 31.636 31.700 -0.129 0.000 0.787 85 E N -0.758 119.390 120.200 -0.088 0.000 2.268 85 E HA -0.139 4.213 4.350 0.003 0.000 0.195 85 E C 1.571 178.157 176.600 -0.023 0.000 0.995 85 E CA 0.807 57.182 56.400 -0.042 0.000 0.836 85 E CB -0.849 28.818 29.700 -0.055 0.000 0.763 85 E HN 0.336 8.696 8.360 0.000 0.000 0.491 86 D N -0.002 120.379 120.400 -0.033 0.000 2.264 86 D HA -0.078 4.563 4.640 0.003 0.000 0.208 86 D C 1.707 178.015 176.300 0.014 0.000 0.966 86 D CA 0.592 54.577 54.000 -0.025 0.000 0.864 86 D CB 0.292 41.074 40.800 -0.030 0.000 0.933 86 D HN 0.098 8.468 8.370 0.000 0.000 0.499 87 V N 1.543 121.502 119.914 0.076 0.000 2.358 87 V HA -0.189 3.933 4.120 0.003 0.000 0.246 87 V C 2.005 178.160 176.094 0.101 0.000 1.047 87 V CA 1.449 63.830 62.300 0.134 0.000 1.035 87 V CB -0.312 31.630 31.823 0.198 0.000 0.658 87 V HN 0.050 8.240 8.190 0.000 0.000 0.452 88 D N 0.288 120.733 120.400 0.074 0.000 2.123 88 D HA -0.167 4.475 4.640 0.003 0.000 0.196 88 D C 2.234 178.565 176.300 0.052 0.000 0.992 88 D CA 1.276 55.314 54.000 0.063 0.000 0.833 88 D CB -0.155 40.670 40.800 0.042 0.000 0.954 88 D HN 0.444 8.814 8.370 0.000 0.000 0.455 89 K N 0.658 121.070 120.400 0.021 0.000 2.057 89 K HA -0.055 4.267 4.320 0.003 0.000 0.207 89 K C 2.181 178.790 176.600 0.014 0.000 1.049 89 K CA 1.080 57.371 56.287 0.006 0.000 0.931 89 K CB -0.065 32.409 32.500 -0.042 0.000 0.714 89 K HN 0.012 8.262 8.250 0.000 0.000 0.440 90 A N 1.498 124.297 122.820 -0.035 0.000 1.902 90 A HA -0.236 4.086 4.320 0.003 0.000 0.217 90 A C 2.072 179.772 177.584 0.193 0.000 1.181 90 A CA 1.661 53.665 52.037 -0.054 0.000 0.623 90 A CB -0.438 18.399 19.000 -0.272 0.000 0.818 90 A HN 0.390 8.540 8.150 0.000 0.000 0.443 91 E N -0.227 120.071 120.200 0.164 0.000 2.051 91 E HA -0.130 4.221 4.350 0.003 0.000 0.192 91 E C 2.164 178.872 176.600 0.179 0.000 0.991 91 E CA 1.052 57.568 56.400 0.192 0.000 0.799 91 E CB -0.257 29.531 29.700 0.147 0.000 0.748 91 E HN 0.541 8.901 8.360 0.000 0.000 0.449 92 A N 0.083 122.983 122.820 0.133 0.000 1.933 92 A HA -0.206 4.116 4.320 0.003 0.000 0.218 92 A C 2.017 179.664 177.584 0.105 0.000 1.175 92 A CA 1.461 53.558 52.037 0.100 0.000 0.628 92 A CB -0.858 18.185 19.000 0.072 0.000 0.814 92 A HN 0.558 8.708 8.150 0.000 0.000 0.444 93 Y N -1.300 118.990 120.300 -0.016 0.000 2.133 93 Y HA -0.227 4.324 4.550 0.003 0.000 0.287 93 Y C 2.197 178.010 175.900 -0.146 0.000 1.134 93 Y CA 2.120 60.151 58.100 -0.116 0.000 1.133 93 Y CB -0.356 37.979 38.460 -0.208 0.000 0.987 93 Y HN 0.366 8.646 8.280 0.000 0.000 0.502 94 Y N 0.328 120.749 120.300 0.203 0.000 2.373 94 Y HA -0.215 4.337 4.550 0.003 0.000 0.293 94 Y C 2.543 178.472 175.900 0.049 0.000 1.129 94 Y CA 1.602 59.783 58.100 0.136 0.000 1.226 94 Y CB -0.439 38.136 38.460 0.191 0.000 1.000 94 Y HN 0.231 8.511 8.280 0.000 0.000 0.549 95 Q N -0.048 119.855 119.800 0.170 0.000 2.084 95 Q HA -0.257 4.084 4.340 0.003 0.000 0.202 95 Q C 2.170 178.180 176.000 0.016 0.000 0.978 95 Q CA 1.771 57.627 55.803 0.089 0.000 0.844 95 Q CB -0.142 28.642 28.738 0.077 0.000 0.898 95 Q HN 0.561 8.831 8.270 0.000 0.000 0.426 96 E N 0.641 120.816 120.200 -0.040 0.000 2.150 96 E HA -0.158 4.194 4.350 0.003 0.000 0.193 96 E C 1.799 178.322 176.600 -0.130 0.000 0.985 96 E CA 0.457 56.797 56.400 -0.099 0.000 0.814 96 E CB 0.022 29.628 29.700 -0.156 0.000 0.752 96 E HN 0.320 8.680 8.360 0.000 0.000 0.466 97 L N -0.381 120.743 121.223 -0.164 0.000 2.362 97 L HA -0.022 4.320 4.340 0.003 0.000 0.219 97 L C 1.560 178.396 176.870 -0.057 0.000 1.134 97 L CA 0.804 55.559 54.840 -0.140 0.000 0.807 97 L CB -0.190 41.775 42.059 -0.157 0.000 0.927 97 L HN 0.512 8.742 8.230 0.000 0.000 0.447 98 G N -1.291 107.497 108.800 -0.019 0.000 2.141 98 G HA2 -0.240 3.721 3.960 0.003 0.000 0.242 98 G HA3 -0.240 3.721 3.960 0.003 0.000 0.242 98 G C 0.179 175.093 174.900 0.023 0.000 0.982 98 G CA -0.091 45.008 45.100 -0.003 0.000 0.662 98 G HN 0.304 8.594 8.290 0.000 0.000 0.527 99 C N 0.412 119.755 119.300 0.071 0.000 2.466 99 C HA 0.673 5.135 4.460 0.003 0.000 0.379 99 C C 1.263 176.302 174.990 0.082 0.000 1.251 99 C CA -0.764 58.309 59.018 0.091 0.000 2.263 99 C CB 0.958 28.819 27.740 0.201 0.000 2.511 99 C HN 0.633 8.863 8.230 0.000 0.000 0.573 100 R N 1.465 121.994 120.500 0.049 0.000 2.442 100 R HA 0.431 4.773 4.340 0.003 0.000 0.291 100 R C 0.052 176.387 176.300 0.058 0.000 1.069 100 R CA 0.442 56.569 56.100 0.045 0.000 1.022 100 R CB 0.519 30.832 30.300 0.021 0.000 0.976 100 R HN 0.982 9.252 8.270 0.000 0.000 0.443 101 T N 0.233 114.834 114.554 0.079 0.000 2.896 101 T HA 0.393 4.744 4.350 0.003 0.000 0.297 101 T C -0.922 173.851 174.700 0.121 0.000 1.108 101 T CA -0.960 61.199 62.100 0.099 0.000 1.004 101 T CB 1.951 70.899 68.868 0.135 0.000 1.159 101 T HN 0.656 8.896 8.240 0.000 0.000 0.499 102 E N 0.612 120.913 120.200 0.169 0.000 2.263 102 E HA 0.511 4.863 4.350 0.003 0.000 0.268 102 E C -1.273 175.530 176.600 0.339 0.000 0.884 102 E CA -0.815 55.731 56.400 0.243 0.000 0.766 102 E CB 1.705 31.593 29.700 0.314 0.000 1.196 102 E HN 0.592 8.952 8.360 0.000 0.000 0.416 103 R N 3.406 124.045 120.500 0.231 0.000 2.295 103 R HA 0.381 4.723 4.340 0.003 0.000 0.324 103 R C -1.038 175.307 176.300 0.074 0.000 0.968 103 R CA -0.350 55.871 56.100 0.202 0.000 0.837 103 R CB 0.789 31.175 30.300 0.143 0.000 1.133 103 R HN 0.417 8.687 8.270 0.000 0.000 0.450 104 R N 4.300 124.793 120.500 -0.012 0.000 2.320 104 R HA 0.239 4.580 4.340 0.003 0.000 0.319 104 R C 0.311 176.565 176.300 -0.077 0.000 0.969 104 R CA -0.823 55.147 56.100 -0.217 0.000 0.857 104 R CB 1.444 31.309 30.300 -0.723 0.000 1.160 104 R HN 0.494 8.764 8.270 0.000 0.000 0.491 105 K N 0.985 121.363 120.400 -0.037 0.000 2.280 105 K HA -0.107 4.215 4.320 0.003 0.000 0.202 105 K C 0.164 176.760 176.600 -0.006 0.000 1.047 105 K CA 1.244 57.536 56.287 0.007 0.000 0.942 105 K CB 0.324 32.830 32.500 0.010 0.000 0.739 105 K HN 0.524 8.774 8.250 0.000 0.000 0.457 106 D N 0.061 120.428 120.400 -0.055 0.000 2.424 106 D HA 0.144 4.785 4.640 0.003 0.000 0.220 106 D C 0.606 176.859 176.300 -0.077 0.000 1.150 106 D CA 0.236 54.201 54.000 -0.058 0.000 0.831 106 D CB 0.590 41.347 40.800 -0.071 0.000 0.981 106 D HN 0.210 8.580 8.370 0.000 0.000 0.500 107 G N 0.347 109.101 108.800 -0.078 0.000 2.758 107 G HA2 -0.279 3.682 3.960 0.003 0.000 0.686 107 G HA3 -0.279 3.682 3.960 0.003 0.000 0.686 107 G C 0.108 174.921 174.900 -0.145 0.000 1.389 107 G CA -0.762 44.319 45.100 -0.031 0.000 0.845 107 G HN 0.162 8.452 8.290 0.000 0.000 0.572 108 F N 0.135 120.107 119.950 0.035 0.000 2.446 108 F HA 0.364 4.892 4.527 0.003 0.000 0.292 108 F C 1.776 177.595 175.800 0.032 0.000 1.096 108 F CA 1.206 59.230 58.000 0.040 0.000 1.438 108 F CB 0.503 39.540 39.000 0.063 0.000 1.107 108 F HN 0.721 9.021 8.300 0.000 0.000 0.546 109 V N -2.524 117.513 119.914 0.204 0.000 3.001 109 V HA 0.466 4.588 4.120 0.003 0.000 0.314 109 V C -0.403 175.714 176.094 0.038 0.000 1.099 109 V CA -1.768 60.626 62.300 0.157 0.000 0.989 109 V CB 1.573 33.485 31.823 0.147 0.000 1.040 109 V HN -0.114 8.076 8.190 0.000 0.000 0.434 110 K N 1.237 121.614 120.400 -0.038 0.000 2.414 110 K HA 0.452 4.774 4.320 0.003 0.000 0.272 110 K C 1.224 177.487 176.600 -0.562 0.000 0.993 110 K CA 0.952 56.972 56.287 -0.444 0.000 0.964 110 K CB 0.456 32.433 32.500 -0.872 0.000 0.925 110 K HN 1.653 9.903 8.250 0.000 0.000 0.487 111 G N 1.434 109.823 108.800 -0.685 0.000 2.179 111 G HA2 -0.217 3.745 3.960 0.003 0.000 0.260 111 G HA3 -0.217 3.745 3.960 0.003 0.000 0.260 111 G C 0.027 174.684 174.900 -0.406 0.000 0.977 111 G CA -0.147 44.465 45.100 -0.812 0.000 0.641 111 G HN 0.417 8.707 8.290 0.000 0.000 0.533 112 I N 1.025 121.419 120.570 -0.294 0.000 2.474 112 I HA 0.616 4.788 4.170 0.003 0.000 0.294 112 I C 1.252 177.303 176.117 -0.110 0.000 1.005 112 I CA -0.031 61.110 61.300 -0.265 0.000 1.113 112 I CB 1.047 38.852 38.000 -0.324 0.000 1.289 112 I HN 0.109 8.319 8.210 0.000 0.000 0.436 113 G N 3.420 112.210 108.800 -0.017 0.000 2.975 113 G HA2 0.054 4.016 3.960 0.003 0.000 0.159 113 G HA3 0.054 4.016 3.960 0.003 0.000 0.159 113 G C -0.445 174.524 174.900 0.114 0.000 1.525 113 G CA -0.145 44.982 45.100 0.045 0.000 1.075 113 G HN 0.563 8.853 8.290 0.000 0.000 0.574 114 D N 0.798 121.286 120.400 0.147 0.000 2.570 114 D HA 0.373 5.015 4.640 0.003 0.000 0.243 114 D C 0.095 176.558 176.300 0.272 0.000 1.171 114 D CA 0.877 54.981 54.000 0.175 0.000 0.879 114 D CB 0.096 40.998 40.800 0.169 0.000 1.143 114 D HN 0.557 8.927 8.370 0.000 0.000 0.511 115 A N 3.679 126.671 122.820 0.285 0.000 2.515 115 A HA 0.612 4.933 4.320 0.003 0.000 0.298 115 A C -1.595 176.259 177.584 0.451 0.000 1.059 115 A CA -0.845 51.441 52.037 0.415 0.000 0.698 115 A CB 1.467 20.756 19.000 0.483 0.000 1.289 115 A HN 0.527 8.677 8.150 0.000 0.000 0.404 116 L N 1.597 123.080 121.223 0.433 0.000 2.333 116 L HA 0.686 5.028 4.340 0.003 0.000 0.280 116 L C -0.157 176.880 176.870 0.278 0.000 1.004 116 L CA -0.103 54.967 54.840 0.383 0.000 0.820 116 L CB 1.282 43.550 42.059 0.348 0.000 1.247 116 L HN 0.770 9.000 8.230 0.000 0.000 0.416 117 R N 3.839 124.417 120.500 0.129 0.000 2.532 117 R HA 0.838 5.179 4.340 0.003 0.000 0.295 117 R C -1.197 175.094 176.300 -0.015 0.000 0.968 117 R CA -0.795 55.241 56.100 -0.106 0.000 0.916 117 R CB 2.153 32.129 30.300 -0.539 0.000 1.124 117 R HN 0.572 8.842 8.270 0.000 0.000 0.463 118 V N -1.380 118.504 119.914 -0.051 0.000 3.007 118 V HA 0.466 4.588 4.120 0.003 0.000 0.311 118 V C -0.737 175.309 176.094 -0.081 0.000 1.120 118 V CA -1.071 61.184 62.300 -0.074 0.000 0.980 118 V CB 2.263 33.936 31.823 -0.250 0.000 1.033 118 V HN 0.729 8.919 8.190 0.000 0.000 0.429 119 E N 3.361 123.526 120.200 -0.057 0.000 2.001 119 E HA 0.270 4.622 4.350 0.003 0.000 0.279 119 E C -0.673 175.892 176.600 -0.059 0.000 1.045 119 E CA -0.454 55.907 56.400 -0.065 0.000 0.833 119 E CB 0.777 30.444 29.700 -0.055 0.000 1.077 119 E HN 0.914 9.274 8.360 0.000 0.000 0.397 120 D N 3.295 123.637 120.400 -0.095 0.000 2.393 120 D HA 0.045 4.687 4.640 0.003 0.000 0.246 120 D C -1.744 174.484 176.300 -0.121 0.000 1.275 120 D CA -1.911 52.054 54.000 -0.058 0.000 0.979 120 D CB 0.590 41.292 40.800 -0.163 0.000 1.101 120 D HN 0.035 8.405 8.370 0.000 0.000 0.505 121 P HA 0.064 4.484 4.420 0.000 0.000 0.230 121 P C 0.914 178.065 177.300 -0.248 0.000 1.158 121 P CA 0.856 63.781 63.100 -0.291 0.000 0.769 121 P CB 0.108 31.514 31.700 -0.490 0.000 0.807 122 L N -2.735 118.361 121.223 -0.212 0.000 2.607 122 L HA 0.334 4.676 4.340 0.003 0.000 0.228 122 L C 1.371 178.187 176.870 -0.089 0.000 1.123 122 L CA 0.539 55.352 54.840 -0.047 0.000 0.890 122 L CB -0.605 41.544 42.059 0.150 0.000 1.103 122 L HN 0.104 8.334 8.230 0.000 0.000 0.468 123 G N -0.016 108.691 108.800 -0.154 0.000 2.157 123 G HA2 -0.283 3.679 3.960 0.003 0.000 0.239 123 G HA3 -0.283 3.679 3.960 0.003 0.000 0.239 123 G C 0.005 174.687 174.900 -0.363 0.000 0.982 123 G CA -0.445 44.498 45.100 -0.262 0.000 0.650 123 G HN 0.171 8.461 8.290 0.000 0.000 0.527 124 F N 1.972 121.814 119.950 -0.179 0.000 2.394 124 F HA 0.504 5.032 4.527 0.003 0.000 0.340 124 F C -1.528 174.187 175.800 -0.142 0.000 1.105 124 F CA -2.317 55.591 58.000 -0.153 0.000 1.124 124 F CB 1.623 40.536 39.000 -0.146 0.000 1.145 124 F HN -0.141 8.159 8.300 0.000 0.000 0.505 125 P HA 0.058 4.478 4.420 0.000 0.000 0.274 125 P C -1.295 176.071 177.300 0.111 0.000 1.470 125 P CA 0.040 63.147 63.100 0.012 0.000 1.001 125 P CB -0.002 31.657 31.700 -0.069 0.000 1.332 126 Y N 1.482 121.707 120.300 -0.125 0.000 2.334 126 Y HA 0.386 4.938 4.550 0.003 0.000 0.328 126 Y C 1.024 176.733 175.900 -0.319 0.000 1.130 126 Y CA -1.376 56.601 58.100 -0.205 0.000 1.163 126 Y CB 1.349 39.736 38.460 -0.122 0.000 1.207 126 Y HN 0.390 8.670 8.280 0.000 0.000 0.471 127 E N 2.696 122.695 120.200 -0.335 0.000 2.212 127 E HA 0.540 4.891 4.350 0.003 0.000 0.268 127 E C -1.937 174.405 176.600 -0.429 0.000 0.902 127 E CA -0.561 55.684 56.400 -0.259 0.000 0.779 127 E CB 1.015 30.609 29.700 -0.176 0.000 1.172 127 E HN 0.390 8.750 8.360 0.000 0.000 0.409 128 F N 4.503 124.590 119.950 0.230 0.000 2.493 128 F HA 0.501 5.030 4.527 0.003 0.000 0.329 128 F C -0.518 175.479 175.800 0.328 0.000 1.126 128 F CA -0.768 57.371 58.000 0.232 0.000 0.937 128 F CB 1.128 40.234 39.000 0.177 0.000 1.146 128 F HN 0.373 8.673 8.300 0.000 0.000 0.442 129 F N 1.315 121.454 119.950 0.314 0.000 2.645 129 F HA 0.617 5.146 4.527 0.003 0.000 0.310 129 F C -0.909 175.064 175.800 0.287 0.000 1.102 129 F CA -1.280 56.886 58.000 0.277 0.000 0.952 129 F CB 1.181 40.317 39.000 0.226 0.000 1.326 129 F HN 0.378 8.678 8.300 0.000 0.000 0.456 130 F N 0.787 120.855 119.950 0.197 0.000 2.479 130 F HA 0.451 4.980 4.527 0.003 0.000 0.280 130 F C 0.588 176.595 175.800 0.345 0.000 0.982 130 F CA 0.399 58.465 58.000 0.110 0.000 1.276 130 F CB 0.071 39.127 39.000 0.094 0.000 1.137 130 F HN 0.526 8.826 8.300 0.000 0.000 0.660 131 E N 1.737 122.146 120.200 0.348 0.000 2.417 131 E HA 0.250 4.601 4.350 0.003 0.000 0.261 131 E C -0.517 176.165 176.600 0.136 0.000 1.000 131 E CA 0.377 56.881 56.400 0.174 0.000 0.919 131 E CB 0.692 30.538 29.700 0.243 0.000 0.955 131 E HN 0.139 8.499 8.360 0.000 0.000 0.455 132 T N 1.806 116.382 114.554 0.036 0.000 2.932 132 T HA 0.183 4.535 4.350 0.003 0.000 0.318 132 T C -0.826 173.914 174.700 0.066 0.000 1.265 132 T CA -0.764 61.336 62.100 0.000 0.000 1.036 132 T CB 1.445 70.315 68.868 0.004 0.000 1.209 132 T HN 0.282 8.522 8.240 0.000 0.000 0.484 133 T N 4.363 118.923 114.554 0.010 0.000 2.799 133 T HA 0.248 4.600 4.350 0.003 0.000 0.296 133 T C 0.191 175.033 174.700 0.235 0.000 0.947 133 T CA 0.027 62.173 62.100 0.077 0.000 1.141 133 T CB -0.324 68.544 68.868 -0.000 0.000 0.891 133 T HN 0.511 8.751 8.240 0.000 0.000 0.533 134 H N 1.220 120.334 119.070 0.074 0.000 2.732 134 H HA 0.419 4.976 4.556 0.003 0.000 0.351 134 H C 0.612 176.001 175.328 0.102 0.000 1.090 134 H CA -0.820 55.306 56.048 0.131 0.000 1.431 134 H CB 0.872 30.744 29.762 0.183 0.000 1.447 134 H HN 0.444 8.724 8.280 0.000 0.000 0.582 135 V N -0.161 119.867 119.914 0.190 0.000 3.164 135 V HA 0.288 4.410 4.120 0.003 0.000 0.313 135 V C 0.038 176.183 176.094 0.085 0.000 1.188 135 V CA -1.266 61.096 62.300 0.103 0.000 1.058 135 V CB 1.849 33.685 31.823 0.021 0.000 1.110 135 V HN 0.799 8.989 8.190 0.000 0.000 0.453 136 E N 1.161 121.385 120.200 0.039 0.000 2.415 136 E HA 0.107 4.459 4.350 0.003 0.000 0.260 136 E C 0.025 176.622 176.600 -0.005 0.000 1.016 136 E CA -0.259 56.151 56.400 0.016 0.000 0.924 136 E CB 0.517 30.210 29.700 -0.012 0.000 0.961 136 E HN 0.626 8.986 8.360 0.000 0.000 0.459 137 R N 5.028 125.540 120.500 0.019 0.000 2.248 137 R HA 0.097 4.439 4.340 0.003 0.000 0.328 137 R C 0.423 176.694 176.300 -0.048 0.000 1.067 137 R CA -0.190 55.919 56.100 0.015 0.000 0.924 137 R CB 0.354 30.677 30.300 0.040 0.000 1.013 137 R HN 0.665 8.935 8.270 0.000 0.000 0.454 138 L N 5.395 126.475 121.223 -0.238 0.000 2.653 138 L HA 0.036 4.378 4.340 0.003 0.000 0.232 138 L C 1.692 177.950 176.870 -1.021 0.000 1.169 138 L CA -0.283 54.233 54.840 -0.539 0.000 0.951 138 L CB -0.499 41.173 42.059 -0.645 0.000 1.181 138 L HN 0.736 8.966 8.230 0.000 0.000 0.460 139 H N -0.280 118.341 119.070 -0.748 0.000 2.489 139 H HA -0.092 4.467 4.556 0.004 0.000 0.293 139 H C 1.395 176.354 175.328 -0.616 0.000 1.066 139 H CA 1.069 56.697 56.048 -0.701 0.000 1.305 139 H CB -0.080 29.551 29.762 -0.218 0.000 1.386 139 H HN 0.436 8.716 8.280 0.000 0.000 0.551 140 M N 0.641 119.636 119.600 -1.008 0.000 2.405 140 M HA 0.210 4.692 4.480 0.003 0.000 0.292 140 M C 0.163 176.144 176.300 -0.531 0.000 1.111 140 M CA -0.161 54.686 55.300 -0.755 0.000 0.979 140 M CB 0.860 33.159 32.600 -0.503 0.000 1.426 140 M HN -0.109 8.181 8.290 0.000 0.000 0.509 141 R N 0.609 120.809 120.500 -0.500 0.000 4.138 141 R HA 0.102 4.444 4.340 0.003 0.000 0.206 141 R C -0.040 176.356 176.300 0.161 0.000 1.667 141 R CA 0.070 56.091 56.100 -0.131 0.000 1.481 141 R CB -0.928 29.289 30.300 -0.139 0.000 1.388 141 R HN 0.386 8.656 8.270 0.000 0.000 0.776 142 Y N 0.536 120.980 120.300 0.240 0.000 2.574 142 Y HA -0.176 4.374 4.550 0.001 0.000 0.294 142 Y C 1.961 177.976 175.900 0.192 0.000 1.142 142 Y CA 1.024 59.258 58.100 0.224 0.000 1.314 142 Y CB -0.015 38.473 38.460 0.047 0.000 0.991 142 Y HN 0.387 8.667 8.280 0.000 0.000 0.555 143 D N 0.057 120.619 120.400 0.269 0.000 2.310 143 D HA -0.155 4.487 4.640 0.003 0.000 0.212 143 D C 1.307 177.726 176.300 0.198 0.000 0.965 143 D CA 1.118 55.233 54.000 0.191 0.000 0.879 143 D CB -0.399 40.478 40.800 0.128 0.000 0.921 143 D HN 0.401 8.771 8.370 0.000 0.000 0.510 144 L N -1.296 120.084 121.223 0.263 0.000 2.693 144 L HA 0.185 4.527 4.340 0.003 0.000 0.235 144 L C 0.274 177.326 176.870 0.304 0.000 1.127 144 L CA -0.635 54.375 54.840 0.284 0.000 0.914 144 L CB -0.135 42.119 42.059 0.326 0.000 1.193 144 L HN -0.109 8.121 8.230 0.000 0.000 0.502 145 Y N 2.623 123.000 120.300 0.128 0.000 2.465 145 Y HA 0.115 4.666 4.550 0.003 0.000 0.331 145 Y C 0.970 176.841 175.900 -0.048 0.000 1.102 145 Y CA -0.806 57.231 58.100 -0.105 0.000 1.358 145 Y CB 0.649 39.062 38.460 -0.079 0.000 1.213 145 Y HN 0.088 8.368 8.280 0.000 0.000 0.525 146 S N 3.792 119.236 115.700 -0.427 0.000 2.654 146 S HA 0.604 5.076 4.470 0.003 0.000 0.283 146 S C 1.002 175.370 174.600 -0.387 0.000 1.180 146 S CA -0.487 57.541 58.200 -0.287 0.000 1.021 146 S CB 1.634 64.687 63.200 -0.245 0.000 1.018 146 S HN 0.933 9.243 8.310 0.000 0.000 0.532 147 A N 1.521 124.247 122.820 -0.158 0.000 2.131 147 A HA 0.188 4.510 4.320 0.003 0.000 0.220 147 A C 1.622 179.142 177.584 -0.108 0.000 1.158 147 A CA 1.251 53.246 52.037 -0.070 0.000 0.665 147 A CB -1.170 17.829 19.000 -0.003 0.000 0.795 147 A HN 1.265 9.415 8.150 0.000 0.000 0.460 148 G N -0.600 108.084 108.800 -0.193 0.000 3.936 148 G HA2 0.387 4.349 3.960 0.003 0.000 0.296 148 G HA3 0.387 4.349 3.960 0.003 0.000 0.296 148 G C -0.091 174.647 174.900 -0.269 0.000 1.121 148 G CA -0.122 44.868 45.100 -0.184 0.000 0.899 148 G HN 0.357 8.647 8.290 0.000 0.000 0.542 149 E N 0.966 120.895 120.200 -0.451 0.000 2.480 149 E HA 0.145 4.497 4.350 0.003 0.000 0.258 149 E C 0.151 176.569 176.600 -0.302 0.000 0.984 149 E CA 0.078 56.163 56.400 -0.526 0.000 0.930 149 E CB 0.305 29.339 29.700 -1.110 0.000 0.936 149 E HN 0.170 8.530 8.360 0.000 0.000 0.466 150 L N 5.740 126.843 121.223 -0.200 0.000 2.265 150 L HA 0.179 4.521 4.340 0.003 0.000 0.288 150 L C 1.096 177.987 176.870 0.035 0.000 1.058 150 L CA -0.563 54.230 54.840 -0.080 0.000 0.809 150 L CB 1.037 42.997 42.059 -0.165 0.000 1.179 150 L HN 0.623 8.853 8.230 0.000 0.000 0.429 151 V N 0.535 120.482 119.914 0.055 0.000 3.379 151 V HA 0.331 4.453 4.120 0.003 0.000 0.249 151 V C 0.842 177.039 176.094 0.173 0.000 1.184 151 V CA 0.118 62.480 62.300 0.104 0.000 1.106 151 V CB 0.061 31.793 31.823 -0.152 0.000 0.826 151 V HN 0.781 8.971 8.190 0.000 0.000 0.465 152 R N -0.245 120.363 120.500 0.180 0.000 2.739 152 R HA 0.603 4.945 4.340 0.003 0.000 0.271 152 R C -1.789 174.605 176.300 0.156 0.000 1.010 152 R CA -0.895 55.296 56.100 0.151 0.000 0.897 152 R CB 2.480 32.834 30.300 0.090 0.000 1.236 152 R HN 0.261 8.531 8.270 0.000 0.000 0.466 153 L N 1.375 122.593 121.223 -0.008 0.000 2.319 153 L HA 0.168 4.510 4.340 0.003 0.000 0.280 153 L C 0.257 176.920 176.870 -0.344 0.000 1.099 153 L CA 0.767 55.379 54.840 -0.380 0.000 0.828 153 L CB 1.021 42.837 42.059 -0.406 0.000 1.150 153 L HN 0.718 8.948 8.230 0.000 0.000 0.442 154 D N 2.053 122.181 120.400 -0.454 0.000 2.490 154 D HA 0.092 4.734 4.640 0.003 0.000 0.244 154 D C -0.226 175.790 176.300 -0.472 0.000 0.979 154 D CA 0.973 54.751 54.000 -0.370 0.000 0.924 154 D CB 0.314 40.932 40.800 -0.303 0.000 1.075 154 D HN 0.759 9.129 8.370 0.000 0.000 0.488 155 H N -3.140 115.517 119.070 -0.687 0.000 2.967 155 H HA 0.271 4.828 4.556 0.003 0.000 0.318 155 H C -1.451 173.463 175.328 -0.691 0.000 1.375 155 H CA -0.885 54.701 56.048 -0.770 0.000 1.132 155 H CB -0.045 29.178 29.762 -0.899 0.000 1.848 155 H HN -0.102 8.178 8.280 0.000 0.000 0.524 156 F N 0.375 120.253 119.950 -0.121 0.000 2.541 156 F HA 0.446 4.974 4.527 0.003 0.000 0.331 156 F C 0.545 176.269 175.800 -0.126 0.000 1.057 156 F CA -0.912 56.984 58.000 -0.174 0.000 0.975 156 F CB 1.293 40.153 39.000 -0.233 0.000 1.246 156 F HN 0.514 8.814 8.300 0.000 0.000 0.484 157 N N 1.161 119.804 118.700 -0.094 0.000 2.430 157 N HA 0.220 4.962 4.740 0.003 0.000 0.290 157 N C -1.821 173.555 175.510 -0.223 0.000 1.063 157 N CA -0.427 52.449 53.050 -0.290 0.000 0.883 157 N CB 1.678 39.731 38.487 -0.722 0.000 1.465 157 N HN 0.709 9.089 8.380 0.000 0.000 0.493 158 Q N 1.442 121.099 119.800 -0.238 0.000 2.316 158 Q HA 0.483 4.825 4.340 0.003 0.000 0.264 158 Q C -0.485 175.472 176.000 -0.071 0.000 0.987 158 Q CA -0.944 54.718 55.803 -0.235 0.000 0.852 158 Q CB 2.671 31.007 28.738 -0.671 0.000 1.287 158 Q HN 0.289 8.559 8.270 0.000 0.000 0.448 159 V N 2.015 122.008 119.914 0.131 0.000 2.432 159 V HA 0.489 4.610 4.120 0.003 0.000 0.275 159 V C 0.048 176.260 176.094 0.197 0.000 1.043 159 V CA -0.197 62.173 62.300 0.116 0.000 0.925 159 V CB 1.322 33.208 31.823 0.105 0.000 0.985 159 V HN 0.779 8.969 8.190 0.000 0.000 0.466 160 T N 6.058 120.676 114.554 0.105 0.000 2.923 160 T HA 0.484 4.836 4.350 0.003 0.000 0.311 160 T C -2.202 172.519 174.700 0.035 0.000 1.183 160 T CA -1.310 60.854 62.100 0.107 0.000 1.020 160 T CB 2.446 71.404 68.868 0.151 0.000 1.165 160 T HN 0.430 8.670 8.240 0.000 0.000 0.482 161 P HA 0.126 4.546 4.420 0.000 0.000 0.220 161 P C -0.044 177.244 177.300 -0.020 0.000 1.152 161 P CA 0.792 63.888 63.100 -0.006 0.000 0.812 161 P CB 0.262 31.952 31.700 -0.016 0.000 0.792 162 D N -0.330 120.059 120.400 -0.017 0.000 2.454 162 D HA 0.138 4.780 4.640 0.003 0.000 0.247 162 D C 1.093 177.381 176.300 -0.019 0.000 1.129 162 D CA -0.620 53.364 54.000 -0.027 0.000 0.877 162 D CB 1.435 42.220 40.800 -0.024 0.000 1.082 162 D HN -0.317 8.053 8.370 0.000 0.000 0.537 163 V N 5.194 125.089 119.914 -0.033 0.000 2.307 163 V HA -0.068 4.053 4.120 0.003 0.000 0.245 163 V C -0.862 175.227 176.094 -0.008 0.000 1.045 163 V CA 1.279 63.563 62.300 -0.026 0.000 1.024 163 V CB -1.070 30.731 31.823 -0.037 0.000 0.651 163 V HN 0.488 8.678 8.190 0.000 0.000 0.449 164 P HA -0.179 4.241 4.420 0.000 0.000 0.216 164 P C 1.741 179.053 177.300 0.019 0.000 1.150 164 P CA 1.444 64.549 63.100 0.007 0.000 0.837 164 P CB -0.064 31.636 31.700 -0.001 0.000 0.786 165 R N -0.391 120.118 120.500 0.014 0.000 2.073 165 R HA -0.070 4.272 4.340 0.003 0.000 0.234 165 R C 2.339 178.676 176.300 0.062 0.000 1.134 165 R CA 1.980 58.095 56.100 0.024 0.000 0.952 165 R CB -1.168 29.132 30.300 -0.000 0.000 0.850 165 R HN 0.157 8.427 8.270 0.000 0.000 0.433 166 G N 0.390 109.227 108.800 0.063 0.000 2.403 166 G HA2 -0.253 3.709 3.960 0.003 0.000 0.216 166 G HA3 -0.253 3.709 3.960 0.003 0.000 0.216 166 G C 1.457 176.429 174.900 0.119 0.000 1.154 166 G CA 0.470 45.648 45.100 0.131 0.000 0.784 166 G HN 0.317 8.607 8.290 0.000 0.000 0.538 167 R N 0.466 120.994 120.500 0.047 0.000 2.083 167 R HA -0.089 4.252 4.340 0.003 0.000 0.237 167 R C 2.425 178.747 176.300 0.037 0.000 1.137 167 R CA 1.663 57.776 56.100 0.021 0.000 0.951 167 R CB -0.263 30.051 30.300 0.024 0.000 0.851 167 R HN 0.186 8.456 8.270 0.000 0.000 0.434 168 K N 0.146 120.584 120.400 0.062 0.000 2.057 168 K HA -0.213 4.109 4.320 0.003 0.000 0.207 168 K C 2.039 178.697 176.600 0.097 0.000 1.049 168 K CA 1.586 57.913 56.287 0.066 0.000 0.931 168 K CB -0.565 31.971 32.500 0.061 0.000 0.714 168 K HN 0.304 8.554 8.250 0.000 0.000 0.440 169 Y N 1.611 121.916 120.300 0.009 0.000 2.128 169 Y HA -0.206 4.345 4.550 0.003 0.000 0.284 169 Y C 1.948 177.877 175.900 0.048 0.000 1.154 169 Y CA 1.674 59.788 58.100 0.024 0.000 1.149 169 Y CB -0.524 37.941 38.460 0.009 0.000 0.976 169 Y HN -0.003 8.277 8.280 0.000 0.000 0.505 170 L N 0.034 121.055 121.223 -0.336 0.000 2.156 170 L HA -0.140 4.202 4.340 0.003 0.000 0.208 170 L C 2.390 179.219 176.870 -0.069 0.000 1.095 170 L CA 1.471 56.071 54.840 -0.400 0.000 0.770 170 L CB -0.503 41.286 42.059 -0.451 0.000 0.914 170 L HN 0.268 8.498 8.230 0.000 0.000 0.439 171 E N 0.059 120.246 120.200 -0.021 0.000 2.110 171 E HA -0.215 4.137 4.350 0.003 0.000 0.193 171 E C 1.621 178.226 176.600 0.009 0.000 0.988 171 E CA 1.172 57.586 56.400 0.023 0.000 0.804 171 E CB -0.006 29.710 29.700 0.026 0.000 0.745 171 E HN 0.428 8.788 8.360 0.000 0.000 0.458 172 D N 0.613 121.020 120.400 0.011 0.000 2.178 172 D HA -0.123 4.519 4.640 0.003 0.000 0.201 172 D C 1.721 178.026 176.300 0.007 0.000 0.980 172 D CA 0.732 54.758 54.000 0.043 0.000 0.842 172 D CB -0.027 40.840 40.800 0.111 0.000 0.948 172 D HN 0.160 8.530 8.370 0.000 0.000 0.472 173 L N -0.750 120.436 121.223 -0.061 0.000 2.552 173 L HA 0.090 4.432 4.340 0.003 0.000 0.227 173 L C 1.386 178.171 176.870 -0.142 0.000 1.146 173 L CA 0.601 55.349 54.840 -0.153 0.000 0.858 173 L CB 0.076 42.076 42.059 -0.098 0.000 0.969 173 L HN 0.208 8.438 8.230 0.000 0.000 0.451 174 G N -0.983 107.762 108.800 -0.092 0.000 2.179 174 G HA2 -0.262 3.699 3.960 0.003 0.000 0.220 174 G HA3 -0.262 3.699 3.960 0.003 0.000 0.220 174 G C 0.127 174.884 174.900 -0.239 0.000 0.990 174 G CA -0.611 44.383 45.100 -0.177 0.000 0.646 174 G HN 0.142 8.432 8.290 0.000 0.000 0.517 175 F N 1.561 121.388 119.950 -0.206 0.000 2.429 175 F HA 0.580 5.108 4.527 0.003 0.000 0.348 175 F C 1.410 177.100 175.800 -0.183 0.000 1.109 175 F CA -0.072 57.800 58.000 -0.214 0.000 1.232 175 F CB 0.690 39.589 39.000 -0.167 0.000 1.157 175 F HN -0.084 8.216 8.300 0.000 0.000 0.564 176 R N 2.042 122.492 120.500 -0.082 0.000 2.445 176 R HA 0.492 4.834 4.340 0.003 0.000 0.308 176 R C -1.265 175.105 176.300 0.117 0.000 0.961 176 R CA -1.031 55.058 56.100 -0.018 0.000 0.862 176 R CB 1.869 32.123 30.300 -0.077 0.000 1.144 176 R HN 0.355 8.625 8.270 0.000 0.000 0.447 177 V N 2.904 122.895 119.914 0.128 0.000 2.572 177 V HA -0.029 4.093 4.120 0.003 0.000 0.291 177 V C 1.490 177.699 176.094 0.191 0.000 1.039 177 V CA 0.601 63.001 62.300 0.166 0.000 1.055 177 V CB 1.136 33.040 31.823 0.135 0.000 0.969 177 V HN 1.006 9.196 8.190 0.000 0.000 0.482 178 T N 1.164 115.851 114.554 0.222 0.000 3.042 178 T HA 0.293 4.645 4.350 0.003 0.000 0.245 178 T C 0.369 175.170 174.700 0.167 0.000 1.029 178 T CA -0.037 62.178 62.100 0.191 0.000 1.120 178 T CB 0.428 69.394 68.868 0.163 0.000 0.917 178 T HN 0.649 8.889 8.240 0.000 0.000 0.467 179 E N 1.271 121.577 120.200 0.178 0.000 2.390 179 E HA 0.523 4.875 4.350 0.003 0.000 0.277 179 E C -1.852 174.929 176.600 0.303 0.000 0.939 179 E CA -0.847 55.640 56.400 0.145 0.000 0.769 179 E CB 2.282 31.917 29.700 -0.109 0.000 1.251 179 E HN 0.485 8.845 8.360 0.000 0.000 0.450 180 D N 0.260 120.842 120.400 0.303 0.000 2.615 180 D HA 0.481 5.123 4.640 0.003 0.000 0.267 180 D C -0.916 175.609 176.300 0.375 0.000 1.236 180 D CA -0.610 53.634 54.000 0.406 0.000 0.839 180 D CB 0.830 41.803 40.800 0.289 0.000 1.380 180 D HN 0.337 8.707 8.370 0.000 0.000 0.433 181 I N 0.129 120.932 120.570 0.388 0.000 2.436 181 I HA 0.388 4.560 4.170 0.003 0.000 0.289 181 I C -0.324 176.000 176.117 0.344 0.000 1.010 181 I CA -0.499 61.000 61.300 0.332 0.000 1.098 181 I CB 1.713 39.884 38.000 0.284 0.000 1.266 181 I HN 0.223 8.433 8.210 0.000 0.000 0.434 182 Q N 3.695 123.680 119.800 0.308 0.000 2.553 182 Q HA 0.430 4.772 4.340 0.003 0.000 0.293 182 Q C -1.692 174.489 176.000 0.302 0.000 1.038 182 Q CA -1.026 54.967 55.803 0.317 0.000 0.777 182 Q CB 2.886 31.745 28.738 0.202 0.000 1.487 182 Q HN 0.683 8.953 8.270 0.000 0.000 0.426 183 D N -1.427 119.167 120.400 0.322 0.000 2.467 183 D HA 0.202 4.844 4.640 0.003 0.000 0.245 183 D C -0.221 176.205 176.300 0.210 0.000 1.038 183 D CA -0.526 53.634 54.000 0.267 0.000 1.038 183 D CB 0.634 41.623 40.800 0.315 0.000 1.278 183 D HN 0.281 8.651 8.370 0.000 0.000 0.564 184 D N -0.644 119.883 120.400 0.212 0.000 2.218 184 D HA -0.147 4.495 4.640 0.003 0.000 0.204 184 D C 1.306 177.686 176.300 0.134 0.000 0.976 184 D CA 0.955 55.053 54.000 0.163 0.000 0.853 184 D CB -0.036 40.863 40.800 0.165 0.000 0.939 184 D HN 0.738 9.108 8.370 0.000 0.000 0.481 185 E N -0.150 120.139 120.200 0.148 0.000 2.478 185 E HA -0.023 4.329 4.350 0.003 0.000 0.198 185 E C 0.982 177.632 176.600 0.082 0.000 1.046 185 E CA 0.751 57.219 56.400 0.112 0.000 0.870 185 E CB 0.019 29.793 29.700 0.124 0.000 0.818 185 E HN 0.242 8.602 8.360 0.000 0.000 0.527 186 G N 0.548 109.401 108.800 0.088 0.000 2.144 186 G HA2 -0.211 3.750 3.960 0.003 0.000 0.218 186 G HA3 -0.211 3.750 3.960 0.003 0.000 0.218 186 G C 0.222 175.133 174.900 0.019 0.000 0.988 186 G CA 0.291 45.425 45.100 0.057 0.000 0.659 186 G HN 0.282 8.572 8.290 0.000 0.000 0.522 187 T N 1.866 116.419 114.554 -0.002 0.000 2.869 187 T HA 0.529 4.881 4.350 0.003 0.000 0.295 187 T C 0.410 174.994 174.700 -0.194 0.000 0.987 187 T CA 0.651 62.648 62.100 -0.171 0.000 1.109 187 T CB 1.414 70.070 68.868 -0.353 0.000 0.932 187 T HN 0.192 8.432 8.240 0.000 0.000 0.518 188 T N 3.350 117.769 114.554 -0.225 0.000 2.767 188 T HA 0.317 4.669 4.350 0.003 0.000 0.284 188 T C 0.106 174.661 174.700 -0.241 0.000 0.973 188 T CA -0.410 61.628 62.100 -0.102 0.000 0.996 188 T CB 0.622 69.481 68.868 -0.016 0.000 0.927 188 T HN 0.573 8.813 8.240 0.000 0.000 0.456 189 Y N 1.387 121.710 120.300 0.039 0.000 2.507 189 Y HA 0.582 5.134 4.550 0.003 0.000 0.263 189 Y C 1.179 177.088 175.900 0.016 0.000 1.093 189 Y CA -0.229 57.884 58.100 0.022 0.000 1.285 189 Y CB 0.673 39.142 38.460 0.014 0.000 1.115 189 Y HN 0.756 9.037 8.280 0.000 0.000 0.533 190 A N -0.199 122.727 122.820 0.178 0.000 2.599 190 A HA 0.833 5.155 4.320 0.003 0.000 0.294 190 A C -1.676 175.952 177.584 0.073 0.000 1.055 190 A CA -0.184 51.858 52.037 0.008 0.000 0.683 190 A CB 0.489 19.469 19.000 -0.033 0.000 1.278 190 A HN 0.163 8.313 8.150 0.000 0.000 0.412 191 A N 0.842 123.563 122.820 -0.164 0.000 2.520 191 A HA 0.764 5.086 4.320 0.003 0.000 0.298 191 A C -1.563 175.933 177.584 -0.146 0.000 1.051 191 A CA -0.321 51.756 52.037 0.068 0.000 0.690 191 A CB 1.062 20.092 19.000 0.049 0.000 1.281 191 A HN 0.973 9.123 8.150 0.000 0.000 0.402 192 W N 2.030 123.284 121.300 -0.077 0.000 2.587 192 W HA 0.652 5.313 4.660 0.003 0.000 0.324 192 W C -0.798 175.717 176.519 -0.008 0.000 1.040 192 W CA -0.437 56.820 57.345 -0.146 0.000 1.222 192 W CB 2.101 31.372 29.460 -0.315 0.000 1.381 192 W HN 0.613 8.793 8.180 0.000 0.000 0.483 193 M N 3.210 122.949 119.600 0.232 0.000 2.378 193 M HA 0.278 4.759 4.480 0.003 0.000 0.289 193 M C -0.926 175.626 176.300 0.420 0.000 1.136 193 M CA -0.791 54.666 55.300 0.263 0.000 0.917 193 M CB 2.814 35.487 32.600 0.121 0.000 1.669 193 M HN 0.506 8.796 8.290 0.000 0.000 0.461 194 H N 0.121 119.359 119.070 0.280 0.000 2.797 194 H HA 0.675 5.233 4.556 0.003 0.000 0.372 194 H C -0.479 174.841 175.328 -0.013 0.000 1.168 194 H CA -0.896 55.263 56.048 0.185 0.000 1.163 194 H CB 1.852 31.660 29.762 0.077 0.000 1.778 194 H HN 0.561 8.841 8.280 0.000 0.000 0.551 195 R N 1.116 121.502 120.500 -0.190 0.000 2.225 195 R HA 0.038 4.380 4.340 0.003 0.000 0.194 195 R C 1.290 177.614 176.300 0.040 0.000 0.949 195 R CA 1.034 56.938 56.100 -0.327 0.000 1.088 195 R CB -0.077 29.930 30.300 -0.490 0.000 1.106 195 R HN 0.813 9.083 8.270 0.000 0.000 0.566 196 K N -0.210 120.279 120.400 0.149 0.000 2.444 196 K HA 0.141 4.463 4.320 0.003 0.000 0.193 196 K C 0.616 177.279 176.600 0.106 0.000 1.024 196 K CA 0.943 57.291 56.287 0.102 0.000 1.077 196 K CB 0.477 33.006 32.500 0.048 0.000 0.833 196 K HN 0.145 8.395 8.250 0.000 0.000 0.517 197 G N 1.335 110.196 108.800 0.102 0.000 2.134 197 G HA2 -0.270 3.692 3.960 0.003 0.000 0.209 197 G HA3 -0.270 3.692 3.960 0.003 0.000 0.209 197 G C 0.145 174.881 174.900 -0.273 0.000 0.993 197 G CA 0.316 45.279 45.100 -0.227 0.000 0.669 197 G HN 0.625 8.915 8.290 0.000 0.000 0.519 198 T N -3.550 110.883 114.554 -0.201 0.000 2.889 198 T HA 0.666 5.018 4.350 0.003 0.000 0.278 198 T C 1.479 176.042 174.700 -0.229 0.000 0.995 198 T CA 0.222 62.233 62.100 -0.150 0.000 0.966 198 T CB 1.725 70.594 68.868 0.002 0.000 1.237 198 T HN 0.521 8.761 8.240 0.000 0.000 0.591 199 V N 1.371 121.188 119.914 -0.161 0.000 2.469 199 V HA 0.040 4.161 4.120 0.003 0.000 0.251 199 V C 1.001 177.224 176.094 0.213 0.000 1.064 199 V CA 1.983 64.211 62.300 -0.120 0.000 1.066 199 V CB -1.533 30.192 31.823 -0.164 0.000 0.667 199 V HN 1.102 9.292 8.190 0.000 0.000 0.461 200 H N -3.360 115.718 119.070 0.014 0.000 3.037 200 H HA 0.358 4.916 4.556 0.003 0.000 0.336 200 H C -0.543 174.825 175.328 0.066 0.000 1.323 200 H CA -0.983 55.120 56.048 0.091 0.000 1.159 200 H CB 0.862 30.664 29.762 0.066 0.000 1.882 200 H HN -0.062 8.218 8.280 0.000 0.000 0.535 201 D N 0.085 120.607 120.400 0.204 0.000 2.431 201 D HA 0.054 4.696 4.640 0.003 0.000 0.227 201 D C 0.120 176.471 176.300 0.086 0.000 1.030 201 D CA 0.860 54.919 54.000 0.098 0.000 0.897 201 D CB 1.420 42.399 40.800 0.299 0.000 1.058 201 D HN 0.464 8.834 8.370 0.000 0.000 0.500 202 T N -0.518 114.150 114.554 0.189 0.000 2.841 202 T HA 0.662 5.014 4.350 0.003 0.000 0.296 202 T C -1.847 172.865 174.700 0.020 0.000 1.166 202 T CA -0.551 61.603 62.100 0.090 0.000 1.007 202 T CB 2.100 71.022 68.868 0.090 0.000 1.253 202 T HN 0.002 8.242 8.240 0.000 0.000 0.511 203 A N 2.044 124.792 122.820 -0.120 0.000 2.539 203 A HA 0.822 5.144 4.320 0.003 0.000 0.296 203 A C -1.800 175.557 177.584 -0.378 0.000 1.073 203 A CA -0.660 51.152 52.037 -0.374 0.000 0.700 203 A CB 1.275 19.831 19.000 -0.740 0.000 1.296 203 A HN 0.757 8.907 8.150 0.000 0.000 0.405 204 L N 1.428 122.406 121.223 -0.409 0.000 2.313 204 L HA 0.563 4.905 4.340 0.003 0.000 0.283 204 L C -0.402 176.273 176.870 -0.326 0.000 1.013 204 L CA -0.414 54.251 54.840 -0.292 0.000 0.816 204 L CB 2.060 44.011 42.059 -0.181 0.000 1.236 204 L HN 0.716 8.946 8.230 0.000 0.000 0.419 205 T N 1.557 115.967 114.554 -0.239 0.000 2.779 205 T HA 0.369 4.721 4.350 0.003 0.000 0.280 205 T C 0.444 175.114 174.700 -0.050 0.000 0.987 205 T CA -0.539 61.456 62.100 -0.174 0.000 0.966 205 T CB 1.621 70.342 68.868 -0.245 0.000 0.933 205 T HN 0.729 8.969 8.240 0.000 0.000 0.442 206 G N 1.674 110.476 108.800 0.003 0.000 2.343 206 G HA2 0.520 4.482 3.960 0.003 0.000 0.254 206 G HA3 0.520 4.482 3.960 0.003 0.000 0.254 206 G C 0.286 175.215 174.900 0.048 0.000 1.277 206 G CA 0.076 45.188 45.100 0.020 0.000 0.909 206 G HN 1.020 9.310 8.290 0.000 0.000 0.502 207 G N 1.848 110.669 108.800 0.034 0.000 2.340 207 G HA2 0.322 4.283 3.960 0.003 0.000 0.299 207 G HA3 0.322 4.283 3.960 0.003 0.000 0.299 207 G C -1.045 173.870 174.900 0.024 0.000 1.291 207 G CA -1.095 44.030 45.100 0.041 0.000 0.841 207 G HN 0.605 8.895 8.290 0.000 0.000 0.500 208 N N 0.387 119.097 118.700 0.017 0.000 2.497 208 N HA 0.561 5.303 4.740 0.003 0.000 0.268 208 N C 0.390 175.895 175.510 -0.009 0.000 1.171 208 N CA 0.885 53.933 53.050 -0.003 0.000 0.948 208 N CB 1.470 39.951 38.487 -0.010 0.000 1.069 208 N HN 1.113 9.493 8.380 0.000 0.000 0.460 209 G N 1.010 109.792 108.800 -0.030 0.000 2.600 209 G HA2 0.460 4.422 3.960 0.003 0.000 0.293 209 G HA3 0.460 4.422 3.960 0.003 0.000 0.293 209 G C -3.218 171.596 174.900 -0.143 0.000 1.408 209 G CA -0.895 44.167 45.100 -0.063 0.000 0.782 209 G HN 0.278 8.568 8.290 0.000 0.000 0.482 210 P HA 0.402 4.822 4.420 0.000 0.000 0.281 210 P C -0.822 176.258 177.300 -0.366 0.000 1.252 210 P CA -0.056 62.692 63.100 -0.586 0.000 0.778 210 P CB 1.293 32.210 31.700 -1.305 0.000 0.895 211 R N 1.806 122.257 120.500 -0.082 0.000 2.740 211 R HA 0.500 4.842 4.340 0.003 0.000 0.273 211 R C -0.879 175.556 176.300 0.226 0.000 0.998 211 R CA -1.253 54.859 56.100 0.021 0.000 0.900 211 R CB 1.835 32.131 30.300 -0.006 0.000 1.223 211 R HN 0.341 8.611 8.270 0.000 0.000 0.466 212 L N 3.228 124.545 121.223 0.155 0.000 2.278 212 L HA 0.197 4.539 4.340 0.003 0.000 0.287 212 L C 1.190 178.086 176.870 0.044 0.000 1.072 212 L CA 0.237 55.154 54.840 0.129 0.000 0.819 212 L CB 0.439 42.530 42.059 0.054 0.000 1.176 212 L HN 0.640 8.870 8.230 0.000 0.000 0.435 213 H N 5.153 124.185 119.070 -0.064 0.000 2.307 213 H HA 0.028 4.586 4.556 0.003 0.000 0.303 213 H C -0.321 175.030 175.328 0.039 0.000 1.073 213 H CA 1.760 57.742 56.048 -0.109 0.000 1.338 213 H CB 0.396 30.020 29.762 -0.230 0.000 1.389 213 H HN 0.802 9.082 8.280 0.000 0.000 0.503 214 H N -3.054 116.126 119.070 0.182 0.000 3.003 214 H HA 0.361 4.918 4.556 0.003 0.000 0.327 214 H C -1.575 173.857 175.328 0.174 0.000 1.353 214 H CA -0.769 55.398 56.048 0.199 0.000 1.142 214 H CB 0.796 30.772 29.762 0.356 0.000 1.864 214 H HN -0.065 8.215 8.280 0.000 0.000 0.529 215 V N 0.602 120.698 119.914 0.303 0.000 2.581 215 V HA 0.712 4.834 4.120 0.003 0.000 0.303 215 V C 0.156 176.299 176.094 0.082 0.000 1.041 215 V CA -0.359 62.030 62.300 0.147 0.000 0.907 215 V CB 1.202 33.109 31.823 0.140 0.000 0.994 215 V HN 1.010 9.200 8.190 0.000 0.000 0.442 216 A N 4.060 126.685 122.820 -0.324 0.000 2.343 216 A HA 0.914 5.236 4.320 0.003 0.000 0.316 216 A C -1.245 176.008 177.584 -0.552 0.000 1.104 216 A CA -0.352 51.433 52.037 -0.420 0.000 0.768 216 A CB 0.848 19.231 19.000 -1.027 0.000 1.213 216 A HN 0.601 8.751 8.150 0.000 0.000 0.456 217 F N 0.909 120.796 119.950 -0.105 0.000 2.522 217 F HA 0.563 5.092 4.527 0.003 0.000 0.324 217 F C 0.866 176.682 175.800 0.027 0.000 1.077 217 F CA -0.153 57.822 58.000 -0.043 0.000 0.944 217 F CB 2.501 41.503 39.000 0.004 0.000 1.175 217 F HN 0.498 8.798 8.300 0.000 0.000 0.468 218 S N 0.156 115.996 115.700 0.234 0.000 2.646 218 S HA 0.655 5.127 4.470 0.003 0.000 0.276 218 S C -0.102 174.575 174.600 0.129 0.000 1.222 218 S CA -0.776 57.553 58.200 0.215 0.000 1.014 218 S CB 1.502 64.816 63.200 0.191 0.000 0.991 218 S HN 0.703 9.013 8.310 0.000 0.000 0.533 219 T N -1.328 113.281 114.554 0.092 0.000 2.926 219 T HA 0.468 4.820 4.350 0.003 0.000 0.289 219 T C 0.548 175.264 174.700 0.027 0.000 1.054 219 T CA -0.731 61.366 62.100 -0.006 0.000 1.015 219 T CB 0.765 69.624 68.868 -0.015 0.000 1.167 219 T HN 0.549 8.789 8.240 0.000 0.000 0.526 220 H N 0.464 119.585 119.070 0.085 0.000 2.333 220 H HA 0.266 4.824 4.556 0.003 0.000 0.302 220 H C 0.605 175.929 175.328 -0.006 0.000 1.075 220 H CA 1.129 57.228 56.048 0.085 0.000 1.348 220 H CB 0.363 30.213 29.762 0.147 0.000 1.393 220 H HN 0.667 8.947 8.280 0.000 0.000 0.509 221 E N -0.286 119.913 120.200 -0.002 0.000 2.410 221 E HA 0.225 4.577 4.350 0.003 0.000 0.269 221 E C 0.577 176.989 176.600 -0.313 0.000 0.937 221 E CA -0.721 55.563 56.400 -0.193 0.000 0.793 221 E CB 2.157 31.674 29.700 -0.304 0.000 1.314 221 E HN -0.023 8.337 8.360 0.000 0.000 0.447 222 K N 0.299 120.491 120.400 -0.346 0.000 2.097 222 K HA -0.175 4.146 4.320 0.003 0.000 0.206 222 K C 1.920 178.334 176.600 -0.310 0.000 1.049 222 K CA 1.773 57.757 56.287 -0.507 0.000 0.933 222 K CB -0.305 31.654 32.500 -0.901 0.000 0.717 222 K HN 0.512 8.762 8.250 0.000 0.000 0.442 223 H N -0.003 119.000 119.070 -0.112 0.000 2.489 223 H HA 0.003 4.561 4.556 0.003 0.000 0.293 223 H C 1.208 176.538 175.328 0.003 0.000 1.066 223 H CA 1.589 57.613 56.048 -0.040 0.000 1.305 223 H CB -0.572 29.176 29.762 -0.023 0.000 1.386 223 H HN 0.244 8.524 8.280 0.000 0.000 0.551 224 N N 0.587 119.105 118.700 -0.303 0.000 2.166 224 N HA -0.062 4.680 4.740 0.003 0.000 0.186 224 N C 1.514 177.008 175.510 -0.027 0.000 1.019 224 N CA 1.646 54.634 53.050 -0.104 0.000 0.856 224 N CB -0.050 38.343 38.487 -0.157 0.000 0.993 224 N HN 0.348 8.728 8.380 0.000 0.000 0.426 225 I N 0.672 121.252 120.570 0.016 0.000 2.252 225 I HA -0.196 3.976 4.170 0.003 0.000 0.245 225 I C 1.595 177.776 176.117 0.107 0.000 1.102 225 I CA 0.681 62.038 61.300 0.095 0.000 1.385 225 I CB -0.239 37.903 38.000 0.236 0.000 1.064 225 I HN 0.142 8.352 8.210 0.000 0.000 0.414 226 I N 0.808 121.464 120.570 0.144 0.000 2.264 226 I HA -0.295 3.877 4.170 0.003 0.000 0.248 226 I C 2.604 178.762 176.117 0.068 0.000 1.111 226 I CA 1.619 62.993 61.300 0.124 0.000 1.382 226 I CB -1.385 36.694 38.000 0.132 0.000 1.060 226 I HN 0.363 8.573 8.210 0.000 0.000 0.418 227 Q N 1.496 121.330 119.800 0.057 0.000 2.167 227 Q HA -0.126 4.216 4.340 0.003 0.000 0.202 227 Q C 2.110 178.105 176.000 -0.009 0.000 0.970 227 Q CA 1.570 57.388 55.803 0.025 0.000 0.855 227 Q CB -0.394 28.360 28.738 0.028 0.000 0.911 227 Q HN 0.548 8.818 8.270 0.000 0.000 0.438 228 I N -0.411 120.147 120.570 -0.019 0.000 2.179 228 I HA -0.351 3.821 4.170 0.003 0.000 0.242 228 I C 2.234 178.335 176.117 -0.027 0.000 1.088 228 I CA 0.908 62.179 61.300 -0.049 0.000 1.357 228 I CB -0.456 37.507 38.000 -0.061 0.000 1.051 228 I HN 0.317 8.527 8.210 0.000 0.000 0.409 229 C N 0.728 120.028 119.300 0.001 0.000 2.413 229 C HA -0.195 4.267 4.460 0.003 0.000 0.276 229 C C 2.496 177.491 174.990 0.007 0.000 1.236 229 C CA 0.887 59.911 59.018 0.011 0.000 1.735 229 C CB -1.050 26.705 27.740 0.024 0.000 2.031 229 C HN 0.528 8.758 8.230 0.000 0.000 0.474 230 D N 0.407 120.813 120.400 0.009 0.000 2.117 230 D HA -0.141 4.501 4.640 0.003 0.000 0.197 230 D C 2.146 178.442 176.300 -0.006 0.000 0.987 230 D CA 1.205 55.209 54.000 0.006 0.000 0.829 230 D CB -0.469 40.336 40.800 0.010 0.000 0.961 230 D HN 0.565 8.935 8.370 0.000 0.000 0.460 231 K N 0.147 120.536 120.400 -0.019 0.000 2.057 231 K HA -0.056 4.266 4.320 0.003 0.000 0.206 231 K C 2.200 178.783 176.600 -0.028 0.000 1.050 231 K CA 0.740 57.008 56.287 -0.032 0.000 0.935 231 K CB -0.016 32.450 32.500 -0.058 0.000 0.715 231 K HN 0.038 8.288 8.250 0.000 0.000 0.439 232 M N 0.037 119.623 119.600 -0.023 0.000 2.159 232 M HA -0.099 4.383 4.480 0.003 0.000 0.263 232 M C 2.237 178.540 176.300 0.005 0.000 1.063 232 M CA 1.716 57.012 55.300 -0.005 0.000 1.110 232 M CB -0.500 32.106 32.600 0.010 0.000 1.374 232 M HN 0.393 8.683 8.290 0.000 0.000 0.411 233 G N 0.239 109.042 108.800 0.005 0.000 2.459 233 G HA2 -0.195 3.766 3.960 0.003 0.000 0.217 233 G HA3 -0.195 3.766 3.960 0.003 0.000 0.217 233 G C 1.634 176.535 174.900 0.002 0.000 1.183 233 G CA 1.093 46.197 45.100 0.006 0.000 0.776 233 G HN 0.547 8.837 8.290 0.000 0.000 0.552 234 A N 0.339 123.157 122.820 -0.003 0.000 1.933 234 A HA 0.148 4.470 4.320 0.003 0.000 0.218 234 A C 2.282 179.863 177.584 -0.005 0.000 1.175 234 A CA 1.081 53.115 52.037 -0.005 0.000 0.628 234 A CB -0.316 18.679 19.000 -0.010 0.000 0.814 234 A HN 0.363 8.513 8.150 0.000 0.000 0.444 235 L N -1.489 119.730 121.223 -0.007 0.000 2.599 235 L HA 0.068 4.410 4.340 0.003 0.000 0.230 235 L C 0.486 177.358 176.870 0.004 0.000 1.141 235 L CA -0.208 54.630 54.840 -0.004 0.000 0.877 235 L CB -0.116 41.938 42.059 -0.008 0.000 1.009 235 L HN 0.281 8.511 8.230 0.000 0.000 0.447 236 R N 1.027 121.530 120.500 0.006 0.000 3.422 236 R HA -0.177 4.165 4.340 0.003 0.000 0.267 236 R C 0.385 176.693 176.300 0.014 0.000 1.074 236 R CA 1.003 57.108 56.100 0.008 0.000 0.718 236 R CB -2.218 28.085 30.300 0.006 0.000 1.157 236 R HN 0.607 8.877 8.270 0.000 0.000 0.440 237 I N -2.912 117.670 120.570 0.020 0.000 3.569 237 I HA 0.161 4.333 4.170 0.003 0.000 0.334 237 I C 1.413 177.552 176.117 0.037 0.000 1.570 237 I CA 0.100 61.419 61.300 0.031 0.000 1.082 237 I CB 0.869 38.899 38.000 0.050 0.000 1.323 237 I HN 0.025 8.235 8.210 0.000 0.000 0.489 238 S N 0.680 116.397 115.700 0.028 0.000 2.447 238 S HA -0.214 4.258 4.470 0.003 0.000 0.233 238 S C 1.550 176.170 174.600 0.034 0.000 1.006 238 S CA 1.259 59.477 58.200 0.030 0.000 0.957 238 S CB -0.582 62.632 63.200 0.023 0.000 0.773 238 S HN 0.725 9.035 8.310 0.000 0.000 0.507 239 D N 1.524 121.940 120.400 0.027 0.000 2.309 239 D HA -0.147 4.495 4.640 0.003 0.000 0.212 239 D C 1.495 177.812 176.300 0.029 0.000 0.968 239 D CA 0.549 54.563 54.000 0.024 0.000 0.882 239 D CB -0.345 40.463 40.800 0.013 0.000 0.918 239 D HN 0.301 8.671 8.370 0.000 0.000 0.503 240 R N 0.181 120.705 120.500 0.041 0.000 2.317 240 R HA 0.300 4.642 4.340 0.003 0.000 0.208 240 R C 0.519 176.873 176.300 0.090 0.000 0.914 240 R CA -0.317 55.814 56.100 0.052 0.000 1.060 240 R CB -0.082 30.256 30.300 0.063 0.000 1.015 240 R HN 0.325 8.595 8.270 0.000 0.000 0.498 241 I N 1.570 122.190 120.570 0.083 0.000 2.322 241 I HA 0.021 4.192 4.170 0.003 0.000 0.292 241 I C 1.659 177.837 176.117 0.103 0.000 1.060 241 I CA 0.078 61.436 61.300 0.097 0.000 1.309 241 I CB 1.063 39.105 38.000 0.070 0.000 1.415 241 I HN 0.118 8.328 8.210 0.000 0.000 0.492 242 E N 6.877 127.167 120.200 0.149 0.000 2.075 242 E HA 0.058 4.409 4.350 0.003 0.000 0.190 242 E C 0.710 177.404 176.600 0.157 0.000 0.969 242 E CA 0.368 56.860 56.400 0.152 0.000 0.815 242 E CB 0.635 30.449 29.700 0.189 0.000 0.776 242 E HN 0.585 8.945 8.360 0.000 0.000 0.457 243 R N -1.141 119.492 120.500 0.221 0.000 2.561 243 R HA 0.434 4.775 4.340 0.003 0.000 0.266 243 R C -0.841 175.593 176.300 0.224 0.000 1.091 243 R CA 0.293 56.511 56.100 0.197 0.000 0.927 243 R CB 1.621 32.017 30.300 0.160 0.000 1.240 243 R HN 0.291 8.561 8.270 0.000 0.000 0.449 244 G N 2.989 111.827 108.800 0.063 0.000 2.526 244 G HA2 -0.121 3.841 3.960 0.003 0.000 0.250 244 G HA3 -0.121 3.841 3.960 0.003 0.000 0.250 244 G C -2.730 172.085 174.900 -0.140 0.000 1.289 244 G CA -0.541 44.451 45.100 -0.179 0.000 0.947 244 G HN 0.586 8.876 8.290 0.000 0.000 0.517 245 P HA 0.576 4.996 4.420 0.000 0.000 0.274 245 P C 0.396 177.212 177.300 -0.807 0.000 1.231 245 P CA 0.820 63.574 63.100 -0.577 0.000 0.790 245 P CB 1.379 32.863 31.700 -0.361 0.000 0.951 246 G N 0.437 108.206 108.800 -1.717 0.000 2.687 246 G HA2 0.553 4.515 3.960 0.003 0.000 0.291 246 G HA3 0.553 4.515 3.960 0.003 0.000 0.291 246 G C -1.572 172.180 174.900 -1.913 0.000 1.420 246 G CA -0.827 43.181 45.100 -1.821 0.000 0.796 246 G HN 0.585 8.875 8.290 0.000 0.000 0.485 247 R N 0.147 119.638 120.500 -1.682 0.000 2.338 247 R HA 0.474 4.816 4.340 0.003 0.000 0.317 247 R C -0.486 175.617 176.300 -0.328 0.000 0.968 247 R CA -0.612 55.023 56.100 -0.775 0.000 0.849 247 R CB 0.116 30.047 30.300 -0.615 0.000 1.128 247 R HN 0.535 8.805 8.270 0.000 0.000 0.448 248 H N 2.290 121.322 119.070 -0.064 0.000 2.707 248 H HA 0.153 4.711 4.556 0.003 0.000 0.359 248 H C 0.994 176.160 175.328 -0.270 0.000 1.113 248 H CA 0.844 56.771 56.048 -0.201 0.000 1.422 248 H CB 1.641 31.257 29.762 -0.244 0.000 1.443 248 H HN 0.895 9.175 8.280 0.000 0.000 0.591 249 G N 2.339 111.009 108.800 -0.217 0.000 2.605 249 G HA2 -0.104 3.858 3.960 0.003 0.000 0.215 249 G HA3 -0.104 3.858 3.960 0.003 0.000 0.215 249 G C 0.158 174.683 174.900 -0.624 0.000 1.279 249 G CA 0.040 44.859 45.100 -0.468 0.000 0.831 249 G HN 0.465 8.755 8.290 0.000 0.000 0.560 250 V N 2.076 121.331 119.914 -1.098 0.000 2.509 250 V HA 0.251 4.373 4.120 0.003 0.000 0.297 250 V C 1.389 177.098 176.094 -0.641 0.000 1.014 250 V CA 1.599 63.342 62.300 -0.929 0.000 1.127 250 V CB 0.262 31.197 31.823 -1.480 0.000 0.925 250 V HN 1.398 9.588 8.190 0.000 0.000 0.480 251 S N 3.129 118.624 115.700 -0.342 0.000 1.895 251 S HA -0.294 4.178 4.470 0.003 0.000 0.245 251 S C 0.979 175.604 174.600 0.042 0.000 1.057 251 S CA 1.183 59.298 58.200 -0.142 0.000 1.369 251 S CB -1.797 61.322 63.200 -0.135 0.000 1.690 251 S HN 1.880 10.190 8.310 0.000 0.000 0.555 252 N N 1.059 119.747 118.700 -0.021 0.000 2.778 252 N HA -0.168 4.573 4.740 0.003 0.000 0.249 252 N C -0.026 175.460 175.510 -0.040 0.000 1.069 252 N CA 2.053 55.070 53.050 -0.054 0.000 0.831 252 N CB -1.638 36.855 38.487 0.010 0.000 1.142 252 N HN 1.899 10.279 8.380 0.000 0.000 0.573 253 A N -0.187 122.600 122.820 -0.055 0.000 2.316 253 A HA 0.527 4.848 4.320 0.003 0.000 0.284 253 A C -0.003 177.550 177.584 -0.051 0.000 1.115 253 A CA -0.407 51.512 52.037 -0.196 0.000 0.812 253 A CB 0.186 18.683 19.000 -0.837 0.000 1.064 253 A HN 0.318 8.468 8.150 0.000 0.000 0.489 254 F N 2.390 122.224 119.950 -0.193 0.000 2.412 254 F HA 0.517 5.046 4.527 0.003 0.000 0.348 254 F C -0.120 175.585 175.800 -0.158 0.000 1.102 254 F CA 0.420 58.310 58.000 -0.183 0.000 1.196 254 F CB 0.502 39.434 39.000 -0.114 0.000 1.144 254 F HN 0.610 8.910 8.300 0.000 0.000 0.541 255 Y N 4.638 124.514 120.300 -0.707 0.000 2.615 255 Y HA 0.794 5.346 4.550 0.003 0.000 0.341 255 Y C -2.341 173.228 175.900 -0.551 0.000 1.089 255 Y CA -1.890 55.890 58.100 -0.533 0.000 1.049 255 Y CB 1.298 39.327 38.460 -0.719 0.000 1.296 255 Y HN 0.669 8.949 8.280 0.000 0.000 0.470 256 L N 2.049 123.118 121.223 -0.256 0.000 2.549 256 L HA 0.589 4.931 4.340 0.003 0.000 0.259 256 L C -2.431 174.322 176.870 -0.195 0.000 0.934 256 L CA -0.861 53.862 54.840 -0.195 0.000 0.865 256 L CB 2.013 44.001 42.059 -0.118 0.000 1.352 256 L HN 0.714 8.944 8.230 0.000 0.000 0.410 257 Y N 5.447 125.861 120.300 0.190 0.000 2.341 257 Y HA 0.747 5.299 4.550 0.003 0.000 0.338 257 Y C 0.240 176.237 175.900 0.162 0.000 0.965 257 Y CA -0.646 57.578 58.100 0.206 0.000 1.108 257 Y CB 1.600 40.241 38.460 0.302 0.000 1.180 257 Y HN 0.591 8.871 8.280 0.000 0.000 0.458 258 I N 0.813 121.564 120.570 0.301 0.000 3.002 258 I HA 0.734 4.906 4.170 0.003 0.000 0.310 258 I C -1.624 174.625 176.117 0.220 0.000 1.087 258 I CA -1.377 60.070 61.300 0.245 0.000 1.017 258 I CB 2.579 40.728 38.000 0.249 0.000 1.226 258 I HN 0.418 8.628 8.210 0.000 0.000 0.443 259 L N 3.196 124.490 121.223 0.118 0.000 2.333 259 L HA 0.416 4.758 4.340 0.003 0.000 0.280 259 L C -0.458 176.191 176.870 -0.369 0.000 1.004 259 L CA -0.793 54.022 54.840 -0.041 0.000 0.820 259 L CB 1.550 43.578 42.059 -0.051 0.000 1.247 259 L HN 0.707 8.937 8.230 0.000 0.000 0.416 260 D N 3.826 123.895 120.400 -0.552 0.000 2.393 260 D HA 0.138 4.780 4.640 0.003 0.000 0.246 260 D C -2.024 173.874 176.300 -0.671 0.000 1.275 260 D CA -1.799 51.491 54.000 -1.183 0.000 0.979 260 D CB 0.621 41.023 40.800 -0.664 0.000 1.101 260 D HN 0.146 8.516 8.370 0.000 0.000 0.505 261 P HA -0.051 4.369 4.420 0.000 0.000 0.220 261 P C 0.208 177.379 177.300 -0.215 0.000 1.148 261 P CA 1.096 64.022 63.100 -0.290 0.000 0.803 261 P CB 0.147 31.745 31.700 -0.170 0.000 0.782 262 D N -1.496 118.762 120.400 -0.236 0.000 2.358 262 D HA 0.074 4.716 4.640 0.003 0.000 0.224 262 D C 0.076 176.138 176.300 -0.397 0.000 1.123 262 D CA 0.038 53.855 54.000 -0.304 0.000 0.833 262 D CB -0.479 40.100 40.800 -0.369 0.000 0.946 262 D HN -0.001 8.369 8.370 0.000 0.000 0.505 263 N N 0.665 119.186 118.700 -0.298 0.000 2.800 263 N HA -0.167 4.574 4.740 0.003 0.000 0.250 263 N C -0.546 174.854 175.510 -0.184 0.000 1.078 263 N CA 0.507 53.423 53.050 -0.224 0.000 0.804 263 N CB -1.281 37.099 38.487 -0.178 0.000 1.135 263 N HN 0.395 8.775 8.380 0.000 0.000 0.565 264 H N 0.666 119.703 119.070 -0.056 0.000 2.886 264 H HA 0.136 4.694 4.556 0.003 0.000 0.329 264 H C 1.060 176.410 175.328 0.036 0.000 1.044 264 H CA 0.200 56.251 56.048 0.005 0.000 1.456 264 H CB 0.523 30.330 29.762 0.074 0.000 1.464 264 H HN 0.207 8.487 8.280 0.000 0.000 0.573 265 R N 3.725 124.339 120.500 0.190 0.000 2.254 265 R HA 0.251 4.593 4.340 0.003 0.000 0.318 265 R C -0.784 175.712 176.300 0.326 0.000 1.031 265 R CA -0.621 55.599 56.100 0.200 0.000 0.905 265 R CB 0.305 30.665 30.300 0.099 0.000 1.050 265 R HN 0.397 8.667 8.270 0.000 0.000 0.456 266 I N 3.517 124.297 120.570 0.351 0.000 2.433 266 I HA 0.270 4.442 4.170 0.003 0.000 0.292 266 I C -0.024 176.281 176.117 0.314 0.000 1.001 266 I CA -0.567 60.964 61.300 0.383 0.000 1.119 266 I CB 1.616 39.872 38.000 0.426 0.000 1.289 266 I HN 0.725 8.935 8.210 0.000 0.000 0.438 267 E N 6.138 126.484 120.200 0.243 0.000 2.191 267 E HA 0.503 4.855 4.350 0.003 0.000 0.278 267 E C -1.210 175.448 176.600 0.097 0.000 0.972 267 E CA -0.666 55.746 56.400 0.020 0.000 0.804 267 E CB 1.513 31.137 29.700 -0.126 0.000 1.110 267 E HN 0.320 8.680 8.360 0.000 0.000 0.394 268 I N 4.250 124.853 120.570 0.054 0.000 2.412 268 I HA 0.340 4.512 4.170 0.003 0.000 0.296 268 I C -0.731 175.501 176.117 0.193 0.000 0.987 268 I CA -0.685 60.693 61.300 0.130 0.000 1.180 268 I CB 0.734 38.780 38.000 0.077 0.000 1.340 268 I HN 0.608 8.818 8.210 0.000 0.000 0.455 269 Y N 3.895 124.249 120.300 0.090 0.000 2.479 269 Y HA 0.581 5.132 4.550 0.003 0.000 0.338 269 Y C -0.707 175.284 175.900 0.153 0.000 1.055 269 Y CA -0.294 57.895 58.100 0.147 0.000 1.023 269 Y CB 2.152 40.726 38.460 0.190 0.000 1.287 269 Y HN 0.680 8.960 8.280 0.000 0.000 0.447 270 T N 4.657 119.189 114.554 -0.036 0.000 2.889 270 T HA 0.312 4.664 4.350 0.003 0.000 0.315 270 T C -1.490 173.140 174.700 -0.116 0.000 1.291 270 T CA -0.260 61.839 62.100 -0.002 0.000 1.028 270 T CB 1.404 70.312 68.868 0.068 0.000 1.235 270 T HN 0.824 9.064 8.240 0.000 0.000 0.491 271 Q N 1.324 121.106 119.800 -0.031 0.000 2.479 271 Q HA -0.133 4.208 4.340 0.003 0.000 0.282 271 Q C -0.487 175.498 176.000 -0.025 0.000 1.279 271 Q CA 0.964 56.766 55.803 -0.000 0.000 0.815 271 Q CB -1.238 27.510 28.738 0.016 0.000 1.204 271 Q HN 0.860 9.130 8.270 0.000 0.000 0.444 272 D N -0.102 120.261 120.400 -0.061 0.000 2.398 272 D HA 0.301 4.943 4.640 0.003 0.000 0.264 272 D C 0.311 176.639 176.300 0.046 0.000 1.263 272 D CA 0.018 54.000 54.000 -0.029 0.000 1.037 272 D CB 0.310 41.078 40.800 -0.053 0.000 1.101 272 D HN 0.253 8.623 8.370 0.000 0.000 0.551 273 Y N -3.463 116.875 120.300 0.063 0.000 2.650 273 Y HA 0.500 5.052 4.550 0.003 0.000 0.331 273 Y C -0.631 175.324 175.900 0.093 0.000 1.082 273 Y CA -1.955 56.189 58.100 0.074 0.000 1.171 273 Y CB 0.377 38.863 38.460 0.043 0.000 1.326 273 Y HN 0.402 8.682 8.280 0.000 0.000 0.513 274 Y N 1.523 121.934 120.300 0.184 0.000 2.377 274 Y HA 0.367 4.919 4.550 0.003 0.000 0.330 274 Y C 0.786 176.740 175.900 0.089 0.000 1.108 274 Y CA 0.480 58.624 58.100 0.074 0.000 1.308 274 Y CB 1.314 39.818 38.460 0.074 0.000 1.216 274 Y HN 0.860 9.140 8.280 0.000 0.000 0.518 275 T N 0.386 114.477 114.554 -0.771 0.000 3.170 275 T HA 0.202 4.554 4.350 0.003 0.000 0.288 275 T C 1.474 175.696 174.700 -0.796 0.000 0.992 275 T CA 0.179 61.879 62.100 -0.667 0.000 0.909 275 T CB -0.068 68.390 68.868 -0.683 0.000 1.133 275 T HN 0.761 9.001 8.240 0.000 0.000 0.530 276 G N 1.326 109.305 108.800 -1.368 0.000 2.498 276 G HA2 -0.006 3.956 3.960 0.003 0.000 0.219 276 G HA3 -0.006 3.956 3.960 0.003 0.000 0.219 276 G C 0.149 174.969 174.900 -0.133 0.000 1.119 276 G CA 0.097 44.862 45.100 -0.558 0.000 0.766 276 G HN 0.471 8.761 8.290 0.000 0.000 0.552 277 D N 0.415 120.745 120.400 -0.117 0.000 2.389 277 D HA 0.211 4.852 4.640 0.003 0.000 0.247 277 D C -1.010 175.320 176.300 0.050 0.000 1.128 277 D CA -1.887 52.158 54.000 0.076 0.000 0.884 277 D CB 1.741 42.629 40.800 0.146 0.000 1.194 277 D HN 0.058 8.428 8.370 0.000 0.000 0.441 278 P HA -0.094 4.326 4.420 0.000 0.000 0.226 278 P C 0.215 177.544 177.300 0.049 0.000 1.153 278 P CA 0.818 63.947 63.100 0.048 0.000 0.777 278 P CB 0.318 32.039 31.700 0.034 0.000 0.794 279 D N -1.432 118.998 120.400 0.050 0.000 2.427 279 D HA 0.004 4.645 4.640 0.003 0.000 0.224 279 D C 0.185 176.515 176.300 0.050 0.000 1.157 279 D CA -0.923 53.105 54.000 0.046 0.000 0.828 279 D CB -1.552 39.272 40.800 0.040 0.000 0.974 279 D HN -0.052 8.318 8.370 0.000 0.000 0.498 280 N N 2.128 120.861 118.700 0.055 0.000 2.223 280 N HA -0.022 4.720 4.740 0.003 0.000 0.271 280 N C -2.380 173.165 175.510 0.058 0.000 1.315 280 N CA -0.558 52.525 53.050 0.054 0.000 0.835 280 N CB 0.428 38.941 38.487 0.043 0.000 1.066 280 N HN -0.023 8.357 8.380 0.000 0.000 0.486 281 P HA 0.053 4.473 4.420 0.000 0.000 0.267 281 P C -0.520 176.806 177.300 0.044 0.000 1.209 281 P CA -0.231 62.886 63.100 0.028 0.000 0.763 281 P CB 0.382 32.079 31.700 -0.004 0.000 0.816 282 T N 1.514 116.098 114.554 0.050 0.000 2.898 282 T HA 0.444 4.796 4.350 0.003 0.000 0.301 282 T C 0.183 174.905 174.700 0.036 0.000 1.049 282 T CA -0.426 61.715 62.100 0.068 0.000 1.095 282 T CB 0.180 69.092 68.868 0.073 0.000 0.976 282 T HN 0.167 8.407 8.240 0.000 0.000 0.539 283 I N 1.786 122.389 120.570 0.055 0.000 2.436 283 I HA 0.318 4.489 4.170 0.003 0.000 0.289 283 I C -0.080 176.073 176.117 0.060 0.000 1.010 283 I CA -0.801 60.495 61.300 -0.006 0.000 1.098 283 I CB 2.295 40.290 38.000 -0.008 0.000 1.266 283 I HN 0.675 8.885 8.210 0.000 0.000 0.434 284 T N 4.609 119.160 114.554 -0.005 0.000 2.786 284 T HA 0.402 4.754 4.350 0.003 0.000 0.283 284 T C -1.034 173.687 174.700 0.035 0.000 0.992 284 T CA -0.392 61.768 62.100 0.099 0.000 0.954 284 T CB 0.561 69.485 68.868 0.093 0.000 0.934 284 T HN 0.266 8.506 8.240 0.000 0.000 0.440 285 W N 2.480 123.805 121.300 0.042 0.000 2.512 285 W HA 0.440 5.101 4.660 0.003 0.000 0.335 285 W C 0.732 177.290 176.519 0.064 0.000 1.088 285 W CA -0.911 56.462 57.345 0.047 0.000 1.236 285 W CB 0.564 30.024 29.460 0.000 0.000 1.307 285 W HN 0.466 8.646 8.180 0.000 0.000 0.567 286 N N 1.549 120.432 118.700 0.305 0.000 2.520 286 N HA -0.017 4.725 4.740 0.003 0.000 0.273 286 N C 0.838 176.387 175.510 0.066 0.000 1.155 286 N CA 0.024 53.205 53.050 0.218 0.000 0.967 286 N CB 1.745 40.421 38.487 0.315 0.000 1.092 286 N HN 0.505 8.885 8.380 0.000 0.000 0.457 287 V N 4.635 124.476 119.914 -0.122 0.000 2.568 287 V HA -0.181 3.941 4.120 0.003 0.000 0.253 287 V C 1.474 177.223 176.094 -0.575 0.000 1.072 287 V CA 1.671 63.700 62.300 -0.451 0.000 1.084 287 V CB -0.776 30.494 31.823 -0.922 0.000 0.676 287 V HN 0.686 8.876 8.190 0.000 0.000 0.469 288 H N -0.992 117.897 119.070 -0.302 0.000 2.539 288 H HA 0.159 4.716 4.556 0.003 0.000 0.267 288 H C 0.501 175.308 175.328 -0.868 0.000 0.982 288 H CA 0.349 56.080 56.048 -0.527 0.000 1.146 288 H CB -0.021 29.407 29.762 -0.556 0.000 1.382 288 H HN 0.443 8.723 8.280 0.000 0.000 0.577 289 D N 1.331 121.321 120.400 -0.683 0.000 2.338 289 D HA -0.071 4.571 4.640 0.003 0.000 0.255 289 D C 1.020 177.088 176.300 -0.386 0.000 1.237 289 D CA -0.102 53.392 54.000 -0.844 0.000 0.883 289 D CB 0.405 41.141 40.800 -0.106 0.000 1.087 289 D HN 0.048 8.418 8.370 0.000 0.000 0.485 290 N N 2.830 121.315 118.700 -0.359 0.000 2.609 290 N HA -0.102 4.640 4.740 0.003 0.000 0.190 290 N C 0.817 176.295 175.510 -0.053 0.000 1.157 290 N CA 0.822 53.795 53.050 -0.128 0.000 0.918 290 N CB 0.208 38.705 38.487 0.016 0.000 0.978 290 N HN 0.492 8.872 8.380 0.000 0.000 0.448 291 Q N -0.823 118.975 119.800 -0.003 0.000 2.247 291 Q HA 0.101 4.443 4.340 0.003 0.000 0.204 291 Q C 1.461 177.498 176.000 0.061 0.000 0.872 291 Q CA -0.239 55.615 55.803 0.085 0.000 0.951 291 Q CB 0.467 29.253 28.738 0.080 0.000 1.099 291 Q HN 0.480 8.750 8.270 0.000 0.000 0.501 292 R N 0.266 120.684 120.500 -0.137 0.000 2.115 292 R HA -0.003 4.339 4.340 0.003 0.000 0.226 292 R C 1.624 177.524 176.300 -0.667 0.000 1.100 292 R CA 0.853 56.567 56.100 -0.643 0.000 0.980 292 R CB 0.085 30.177 30.300 -0.346 0.000 0.875 292 R HN 0.066 8.336 8.270 0.000 0.000 0.445 293 R N 0.044 120.334 120.500 -0.351 0.000 2.102 293 R HA 0.098 4.440 4.340 0.003 0.000 0.208 293 R C -0.167 176.025 176.300 -0.180 0.000 1.131 293 R CA 0.650 56.567 56.100 -0.304 0.000 1.054 293 R CB 0.163 30.279 30.300 -0.308 0.000 0.954 293 R HN 0.156 8.426 8.270 0.000 0.000 0.465 294 D N -0.053 120.267 120.400 -0.134 0.000 2.414 294 D HA 0.025 4.667 4.640 0.003 0.000 0.232 294 D C 0.382 176.680 176.300 -0.004 0.000 1.070 294 D CA -0.398 53.560 54.000 -0.070 0.000 0.839 294 D CB 0.674 41.444 40.800 -0.049 0.000 1.079 294 D HN 0.178 8.548 8.370 0.000 0.000 0.521 295 W N 4.517 125.660 121.300 -0.261 0.000 2.364 295 W HA -0.142 4.519 4.660 0.003 0.000 0.281 295 W C 0.019 176.595 176.519 0.095 0.000 1.219 295 W CA 0.304 57.584 57.345 -0.109 0.000 1.220 295 W CB 0.121 29.499 29.460 -0.137 0.000 1.127 295 W HN 0.623 8.803 8.180 0.000 0.000 0.556 296 W N 0.097 121.448 121.300 0.085 0.000 3.256 296 W HA 0.283 4.945 4.660 0.002 0.000 0.269 296 W C 1.829 178.320 176.519 -0.046 0.000 1.310 296 W CA 0.654 57.980 57.345 -0.032 0.000 1.673 296 W CB -1.349 28.123 29.460 0.020 0.000 1.115 296 W HN 0.200 8.380 8.180 0.000 0.000 0.686 297 G N 1.040 109.916 108.800 0.128 0.000 2.143 297 G HA2 -0.290 3.671 3.960 0.003 0.000 0.249 297 G HA3 -0.290 3.671 3.960 0.003 0.000 0.249 297 G C 0.296 175.215 174.900 0.030 0.000 0.981 297 G CA -0.169 44.969 45.100 0.064 0.000 0.665 297 G HN 0.137 8.427 8.290 0.000 0.000 0.528 298 N N 1.925 120.662 118.700 0.061 0.000 2.492 298 N HA 0.353 5.094 4.740 0.003 0.000 0.260 298 N C -1.908 173.573 175.510 -0.048 0.000 1.215 298 N CA -0.752 52.309 53.050 0.020 0.000 0.923 298 N CB 0.957 39.485 38.487 0.068 0.000 1.092 298 N HN 0.259 8.639 8.380 0.000 0.000 0.448 299 P HA 0.072 4.492 4.420 0.000 0.000 0.274 299 P C -0.529 176.720 177.300 -0.085 0.000 1.231 299 P CA -0.260 62.785 63.100 -0.092 0.000 0.790 299 P CB 0.759 32.400 31.700 -0.099 0.000 0.951 300 V N 3.609 123.468 119.914 -0.091 0.000 2.385 300 V HA 0.090 4.212 4.120 0.003 0.000 0.269 300 V C 0.872 176.936 176.094 -0.052 0.000 1.043 300 V CA -0.638 61.557 62.300 -0.174 0.000 0.906 300 V CB 0.955 32.594 31.823 -0.308 0.000 0.995 300 V HN 0.398 8.588 8.190 0.000 0.000 0.467 301 V N 4.373 124.263 119.914 -0.040 0.000 2.843 301 V HA 0.207 4.329 4.120 0.003 0.000 0.305 301 V C -1.404 174.755 176.094 0.108 0.000 1.065 301 V CA -1.012 61.313 62.300 0.043 0.000 1.116 301 V CB 0.288 32.140 31.823 0.048 0.000 0.968 301 V HN 0.626 8.816 8.190 0.000 0.000 0.487 302 P HA -0.146 4.274 4.420 0.000 0.000 0.216 302 P C 2.040 179.456 177.300 0.193 0.000 1.150 302 P CA 2.017 65.249 63.100 0.220 0.000 0.837 302 P CB -0.033 31.754 31.700 0.146 0.000 0.786 303 S N -2.266 113.506 115.700 0.120 0.000 2.400 303 S HA -0.222 4.250 4.470 0.003 0.000 0.232 303 S C 1.934 176.567 174.600 0.056 0.000 1.025 303 S CA 0.739 58.983 58.200 0.073 0.000 0.993 303 S CB -1.787 61.439 63.200 0.043 0.000 0.808 303 S HN 0.226 8.536 8.310 0.000 0.000 0.478 304 W N 1.188 122.422 121.300 -0.110 0.000 2.374 304 W HA -0.029 4.633 4.660 0.003 0.000 0.288 304 W C 1.570 178.042 176.519 -0.079 0.000 1.218 304 W CA 1.190 58.421 57.345 -0.190 0.000 1.245 304 W CB -0.268 28.955 29.460 -0.395 0.000 1.126 304 W HN 0.331 8.511 8.180 0.000 0.000 0.545 305 Y N -1.036 119.422 120.300 0.263 0.000 2.397 305 Y HA -0.046 4.506 4.550 0.003 0.000 0.292 305 Y C 2.803 178.733 175.900 0.049 0.000 1.115 305 Y CA 1.829 60.030 58.100 0.170 0.000 1.208 305 Y CB -1.000 37.566 38.460 0.176 0.000 1.046 305 Y HN -0.015 8.265 8.280 0.000 0.000 0.552 306 T N -3.321 111.332 114.554 0.166 0.000 3.040 306 T HA 0.099 4.451 4.350 0.003 0.000 0.252 306 T C 0.420 175.114 174.700 -0.009 0.000 1.064 306 T CA 0.096 62.243 62.100 0.078 0.000 1.110 306 T CB 0.079 68.994 68.868 0.077 0.000 0.921 306 T HN -0.120 8.120 8.240 0.000 0.000 0.480 307 E N 1.594 121.750 120.200 -0.074 0.000 2.191 307 E HA 0.774 5.125 4.350 0.003 0.000 0.278 307 E C -0.580 175.870 176.600 -0.250 0.000 0.972 307 E CA -0.528 55.793 56.400 -0.132 0.000 0.804 307 E CB 1.801 31.430 29.700 -0.118 0.000 1.110 307 E HN 0.554 8.914 8.360 0.000 0.000 0.394 308 A N 1.610 124.318 122.820 -0.186 0.000 2.601 308 A HA 0.543 4.865 4.320 0.003 0.000 0.291 308 A C -0.768 176.763 177.584 -0.090 0.000 1.075 308 A CA -0.721 51.195 52.037 -0.201 0.000 0.671 308 A CB 1.200 20.098 19.000 -0.171 0.000 1.277 308 A HN 0.400 8.550 8.150 0.000 0.000 0.417 309 S N 0.868 116.551 115.700 -0.029 0.000 2.565 309 S HA 0.344 4.815 4.470 0.003 0.000 0.274 309 S C 0.130 174.738 174.600 0.014 0.000 1.309 309 S CA -0.439 57.788 58.200 0.044 0.000 1.043 309 S CB 0.621 63.941 63.200 0.199 0.000 0.939 309 S HN 0.552 8.862 8.310 0.000 0.000 0.504 310 K N 1.290 121.692 120.400 0.003 0.000 2.440 310 K HA 0.246 4.567 4.320 0.003 0.000 0.270 310 K C 0.054 176.633 176.600 -0.034 0.000 0.980 310 K CA -0.264 56.004 56.287 -0.031 0.000 0.953 310 K CB 0.239 32.721 32.500 -0.031 0.000 0.925 310 K HN 0.455 8.705 8.250 0.000 0.000 0.497 311 V N 0.093 119.951 119.914 -0.092 0.000 2.864 311 V HA 0.564 4.686 4.120 0.003 0.000 0.314 311 V C -0.686 175.339 176.094 -0.114 0.000 1.073 311 V CA -1.135 61.101 62.300 -0.108 0.000 0.956 311 V CB 1.327 33.046 31.823 -0.173 0.000 1.023 311 V HN 0.558 8.748 8.190 0.000 0.000 0.435 312 L N 2.762 123.927 121.223 -0.096 0.000 2.344 312 L HA 0.609 4.951 4.340 0.003 0.000 0.272 312 L C -0.010 176.804 176.870 -0.094 0.000 1.035 312 L CA -0.769 54.020 54.840 -0.084 0.000 0.807 312 L CB 1.646 43.666 42.059 -0.064 0.000 1.237 312 L HN 0.984 9.214 8.230 0.000 0.000 0.442 313 D N 0.763 121.114 120.400 -0.081 0.000 2.478 313 D HA 0.165 4.806 4.640 0.003 0.000 0.269 313 D C 0.861 177.127 176.300 -0.056 0.000 1.232 313 D CA -0.457 53.499 54.000 -0.073 0.000 1.059 313 D CB 0.735 41.496 40.800 -0.064 0.000 1.104 313 D HN 0.368 8.738 8.370 0.000 0.000 0.566 314 L N -0.726 120.472 121.223 -0.041 0.000 2.376 314 L HA -0.033 4.309 4.340 0.003 0.000 0.219 314 L C 1.102 177.977 176.870 0.008 0.000 1.133 314 L CA 0.837 55.663 54.840 -0.023 0.000 0.816 314 L CB -0.352 41.708 42.059 0.001 0.000 0.933 314 L HN 0.350 8.580 8.230 0.000 0.000 0.449 315 D N 0.228 120.628 120.400 0.000 0.000 2.355 315 D HA 0.022 4.663 4.640 0.003 0.000 0.218 315 D C 1.638 177.938 176.300 0.001 0.000 1.004 315 D CA 1.064 55.069 54.000 0.008 0.000 0.880 315 D CB 0.478 41.279 40.800 0.001 0.000 0.911 315 D HN 0.377 8.747 8.370 0.000 0.000 0.528 316 G N 1.070 109.862 108.800 -0.013 0.000 2.141 316 G HA2 -0.237 3.724 3.960 0.003 0.000 0.242 316 G HA3 -0.237 3.724 3.960 0.003 0.000 0.242 316 G C 0.123 175.009 174.900 -0.023 0.000 0.982 316 G CA -0.400 44.690 45.100 -0.017 0.000 0.662 316 G HN 0.183 8.473 8.290 0.000 0.000 0.527 317 N N -0.067 118.616 118.700 -0.029 0.000 2.509 317 N HA 0.462 5.204 4.740 0.003 0.000 0.287 317 N C 0.582 176.063 175.510 -0.048 0.000 1.121 317 N CA -0.345 52.685 53.050 -0.034 0.000 0.977 317 N CB 1.778 40.247 38.487 -0.031 0.000 1.167 317 N HN 0.067 8.447 8.380 0.000 0.000 0.476 318 V N 2.288 122.173 119.914 -0.049 0.000 2.585 318 V HA -0.039 4.083 4.120 0.003 0.000 0.296 318 V C 0.858 176.906 176.094 -0.077 0.000 1.035 318 V CA -0.103 62.160 62.300 -0.062 0.000 1.084 318 V CB 0.293 32.083 31.823 -0.054 0.000 0.953 318 V HN 0.441 8.631 8.190 0.000 0.000 0.483 319 Q N 4.122 123.859 119.800 -0.105 0.000 2.332 319 Q HA 0.120 4.462 4.340 0.003 0.000 0.263 319 Q C 0.459 176.388 176.000 -0.118 0.000 0.979 319 Q CA -0.103 55.624 55.803 -0.127 0.000 0.885 319 Q CB 0.898 29.521 28.738 -0.191 0.000 1.218 319 Q HN 0.851 9.121 8.270 0.000 0.000 0.405 320 E N 2.590 122.729 120.200 -0.102 0.000 2.404 320 E HA 0.151 4.503 4.350 0.003 0.000 0.261 320 E C -0.300 176.238 176.600 -0.104 0.000 1.074 320 E CA -0.008 56.339 56.400 -0.088 0.000 0.917 320 E CB 0.803 30.461 29.700 -0.071 0.000 0.965 320 E HN 0.401 8.761 8.360 0.000 0.000 0.433 321 I N 1.766 122.285 120.570 -0.086 0.000 2.412 321 I HA 0.224 4.395 4.170 0.003 0.000 0.296 321 I C -0.349 175.727 176.117 -0.068 0.000 0.987 321 I CA -1.066 60.182 61.300 -0.086 0.000 1.180 321 I CB 1.173 39.130 38.000 -0.072 0.000 1.340 321 I HN 0.387 8.597 8.210 0.000 0.000 0.455 322 I N 5.497 126.027 120.570 -0.067 0.000 2.377 322 I HA 0.220 4.392 4.170 0.003 0.000 0.293 322 I C 0.266 176.361 176.117 -0.037 0.000 0.987 322 I CA -0.328 60.942 61.300 -0.051 0.000 1.185 322 I CB 1.412 39.380 38.000 -0.054 0.000 1.341 322 I HN 0.501 8.711 8.210 0.000 0.000 0.455 323 E N 5.872 126.055 120.200 -0.028 0.000 2.316 323 E HA 0.155 4.507 4.350 0.003 0.000 0.275 323 E C 0.022 176.612 176.600 -0.017 0.000 1.029 323 E CA -0.723 55.666 56.400 -0.019 0.000 0.871 323 E CB 0.751 30.442 29.700 -0.015 0.000 1.022 323 E HN 0.421 8.781 8.360 0.000 0.000 0.418 324 R N 2.545 123.038 120.500 -0.011 0.000 2.522 324 R HA -0.018 4.324 4.340 0.003 0.000 0.284 324 R C 0.822 177.114 176.300 -0.013 0.000 1.032 324 R CA 0.878 56.971 56.100 -0.013 0.000 1.049 324 R CB 0.433 30.729 30.300 -0.006 0.000 0.956 324 R HN 0.675 8.945 8.270 0.000 0.000 0.422 325 T N -0.657 113.886 114.554 -0.019 0.000 3.015 325 T HA 0.081 4.433 4.350 0.003 0.000 0.250 325 T C 0.300 174.987 174.700 -0.021 0.000 1.057 325 T CA -0.289 61.801 62.100 -0.016 0.000 1.066 325 T CB 0.200 69.058 68.868 -0.016 0.000 0.959 325 T HN 0.461 8.701 8.240 0.000 0.000 0.488 326 D N 2.778 123.154 120.400 -0.040 0.000 2.368 326 D HA 0.206 4.848 4.640 0.003 0.000 0.240 326 D C -0.050 176.220 176.300 -0.050 0.000 1.169 326 D CA -0.149 53.810 54.000 -0.069 0.000 0.906 326 D CB 0.342 41.065 40.800 -0.129 0.000 1.187 326 D HN 0.241 8.611 8.370 0.000 0.000 0.435 327 D N -0.250 120.122 120.400 -0.048 0.000 2.478 327 D HA -0.025 4.617 4.640 0.003 0.000 0.234 327 D C 0.185 176.557 176.300 0.121 0.000 1.154 327 D CA 0.460 54.491 54.000 0.052 0.000 0.874 327 D CB 0.388 41.273 40.800 0.141 0.000 1.198 327 D HN 0.061 8.431 8.370 0.000 0.000 0.455 328 S N 0.647 116.428 115.700 0.135 0.000 2.499 328 S HA 0.068 4.540 4.470 0.003 0.000 0.279 328 S C 1.041 175.677 174.600 0.061 0.000 1.219 328 S CA -0.653 57.604 58.200 0.095 0.000 1.062 328 S CB 1.270 64.480 63.200 0.017 0.000 0.978 328 S HN 0.451 8.761 8.310 0.000 0.000 0.489 329 E N 3.877 124.072 120.200 -0.008 0.000 2.077 329 E HA -0.147 4.205 4.350 0.003 0.000 0.193 329 E C 1.810 178.073 176.600 -0.561 0.000 0.989 329 E CA 1.205 57.387 56.400 -0.364 0.000 0.800 329 E CB -0.157 29.344 29.700 -0.332 0.000 0.746 329 E HN 0.852 9.212 8.360 0.000 0.000 0.452 330 L N 0.939 121.742 121.223 -0.700 0.000 1.990 330 L HA -0.242 4.100 4.340 0.003 0.000 0.213 330 L C 2.272 179.008 176.870 -0.223 0.000 1.072 330 L CA 1.715 56.220 54.840 -0.558 0.000 0.755 330 L CB -0.215 41.654 42.059 -0.317 0.000 0.889 330 L HN 0.181 8.411 8.230 0.000 0.000 0.432 331 E N -0.353 119.771 120.200 -0.128 0.000 2.106 331 E HA -0.166 4.186 4.350 0.003 0.000 0.192 331 E C 2.110 178.703 176.600 -0.012 0.000 0.984 331 E CA 1.699 58.079 56.400 -0.033 0.000 0.806 331 E CB -0.329 29.377 29.700 0.010 0.000 0.750 331 E HN 0.647 9.007 8.360 0.000 0.000 0.458 332 V N -0.596 119.286 119.914 -0.054 0.000 3.306 332 V HA -0.002 4.120 4.120 0.003 0.000 0.264 332 V C 1.945 178.003 176.094 -0.060 0.000 1.149 332 V CA 1.707 64.004 62.300 -0.006 0.000 1.143 332 V CB -0.519 31.286 31.823 -0.029 0.000 0.767 332 V HN 0.240 8.430 8.190 0.000 0.000 0.476 333 T N -0.783 113.682 114.554 -0.150 0.000 3.056 333 T HA 0.274 4.626 4.350 0.003 0.000 0.243 333 T C 1.522 176.200 174.700 -0.037 0.000 0.995 333 T CA 0.972 62.985 62.100 -0.145 0.000 1.091 333 T CB 0.028 68.755 68.868 -0.234 0.000 0.990 333 T HN 0.657 8.897 8.240 0.000 0.000 0.464 334 I N -0.867 119.687 120.570 -0.027 0.000 4.338 334 I HA 0.596 4.767 4.170 0.003 0.000 0.329 334 I C 0.941 177.084 176.117 0.044 0.000 1.378 334 I CA -0.923 60.392 61.300 0.025 0.000 1.170 334 I CB 0.161 38.185 38.000 0.039 0.000 1.206 334 I HN 0.216 8.426 8.210 0.000 0.000 0.432 335 G N 0.842 109.664 108.800 0.036 0.000 2.621 335 G HA2 0.445 4.407 3.960 0.003 0.000 0.271 335 G HA3 0.445 4.407 3.960 0.003 0.000 0.271 335 G C 0.995 175.941 174.900 0.078 0.000 1.236 335 G CA 0.104 45.234 45.100 0.050 0.000 0.958 335 G HN 0.266 8.556 8.290 0.000 0.000 0.512 336 A N -0.749 122.115 122.820 0.074 0.000 1.978 336 A HA -0.024 4.298 4.320 0.003 0.000 0.220 336 A C 1.570 179.217 177.584 0.105 0.000 1.170 336 A CA 1.904 53.991 52.037 0.083 0.000 0.636 336 A CB -0.101 18.939 19.000 0.066 0.000 0.810 336 A HN 0.471 8.621 8.150 0.000 0.000 0.448 337 D N -0.597 119.869 120.400 0.110 0.000 2.424 337 D HA 0.227 4.869 4.640 0.003 0.000 0.220 337 D C 0.801 177.221 176.300 0.200 0.000 1.150 337 D CA 0.483 54.568 54.000 0.141 0.000 0.831 337 D CB 0.166 41.037 40.800 0.118 0.000 0.981 337 D HN 0.367 8.737 8.370 0.000 0.000 0.500 338 G N 0.663 109.576 108.800 0.187 0.000 2.528 338 G HA2 0.516 4.478 3.960 0.003 0.000 0.289 338 G HA3 0.516 4.478 3.960 0.003 0.000 0.289 338 G C -0.523 174.568 174.900 0.318 0.000 1.192 338 G CA -0.457 44.764 45.100 0.202 0.000 0.921 338 G HN 0.117 8.407 8.290 0.000 0.000 0.512 339 F N -0.951 119.062 119.950 0.105 0.000 2.693 339 F HA 0.772 5.300 4.527 0.003 0.000 0.309 339 F C -0.502 175.350 175.800 0.087 0.000 1.129 339 F CA -1.006 56.991 58.000 -0.005 0.000 0.948 339 F CB 1.507 40.418 39.000 -0.150 0.000 1.315 339 F HN 0.820 9.120 8.300 0.000 0.000 0.447 340 S N 1.310 117.057 115.700 0.078 0.000 2.607 340 S HA 0.888 5.360 4.470 0.003 0.000 0.273 340 S C -1.384 173.328 174.600 0.188 0.000 1.148 340 S CA -0.750 57.446 58.200 -0.007 0.000 0.833 340 S CB 1.994 65.169 63.200 -0.042 0.000 1.130 340 S HN 1.416 9.726 8.310 0.000 0.000 0.470 341 F N -1.307 118.739 119.950 0.160 0.000 2.593 341 F HA 0.811 5.340 4.527 0.003 0.000 0.320 341 F C 0.767 176.627 175.800 0.100 0.000 1.060 341 F CA -0.955 57.108 58.000 0.106 0.000 0.940 341 F CB 1.205 40.289 39.000 0.140 0.000 1.268 341 F HN 0.496 8.796 8.300 0.000 0.000 0.475 342 T N -0.215 114.533 114.554 0.324 0.000 2.925 342 T HA 0.208 4.560 4.350 0.003 0.000 0.245 342 T C 0.478 175.396 174.700 0.365 0.000 1.025 342 T CA 0.617 62.861 62.100 0.241 0.000 1.149 342 T CB -0.110 68.832 68.868 0.123 0.000 0.866 342 T HN 0.454 8.694 8.240 0.000 0.000 0.437 343 R N 1.154 121.838 120.500 0.306 0.000 2.437 343 R HA 0.677 5.018 4.340 0.003 0.000 0.310 343 R C -0.673 175.584 176.300 -0.072 0.000 0.955 343 R CA -0.566 55.631 56.100 0.161 0.000 0.851 343 R CB 1.430 31.762 30.300 0.053 0.000 1.161 343 R HN 0.258 8.528 8.270 0.000 0.000 0.446 344 A N 1.730 124.300 122.820 -0.416 0.000 2.548 344 A HA 0.369 4.691 4.320 0.003 0.000 0.247 344 A C 1.342 178.670 177.584 -0.427 0.000 1.067 344 A CA 1.033 52.492 52.037 -0.965 0.000 0.757 344 A CB -0.454 18.112 19.000 -0.724 0.000 0.996 344 A HN 1.012 9.162 8.150 0.000 0.000 0.504 345 G N 1.681 110.258 108.800 -0.372 0.000 2.179 345 G HA2 -0.202 3.760 3.960 0.003 0.000 0.260 345 G HA3 -0.202 3.760 3.960 0.003 0.000 0.260 345 G C -0.067 174.770 174.900 -0.105 0.000 0.977 345 G CA 0.491 45.484 45.100 -0.179 0.000 0.641 345 G HN 1.070 9.360 8.290 0.000 0.000 0.533 346 D N -0.095 120.254 120.400 -0.085 0.000 2.344 346 D HA 0.546 5.188 4.640 0.003 0.000 0.239 346 D C 1.245 177.543 176.300 -0.003 0.000 1.064 346 D CA -0.727 53.252 54.000 -0.035 0.000 0.829 346 D CB 0.990 41.777 40.800 -0.022 0.000 1.129 346 D HN -0.012 8.358 8.370 0.000 0.000 0.506 347 E N 1.618 121.817 120.200 -0.003 0.000 2.158 347 E HA -0.078 4.274 4.350 0.003 0.000 0.191 347 E C -0.059 176.536 176.600 -0.009 0.000 0.982 347 E CA 0.500 56.913 56.400 0.022 0.000 0.823 347 E CB 0.020 29.726 29.700 0.010 0.000 0.766 347 E HN 0.537 8.897 8.360 0.000 0.000 0.468 348 D N -0.273 120.114 120.400 -0.022 0.000 2.417 348 D HA 0.154 4.795 4.640 0.003 0.000 0.250 348 D C 0.936 177.195 176.300 -0.068 0.000 1.166 348 D CA 1.173 55.150 54.000 -0.039 0.000 0.881 348 D CB 0.414 41.202 40.800 -0.021 0.000 1.164 348 D HN 0.246 8.616 8.370 0.000 0.000 0.467 349 G N 2.433 111.147 108.800 -0.144 0.000 2.159 349 G HA2 -0.230 3.732 3.960 0.003 0.000 0.256 349 G HA3 -0.230 3.732 3.960 0.003 0.000 0.256 349 G C 0.327 174.939 174.900 -0.479 0.000 0.977 349 G CA 0.414 45.374 45.100 -0.234 0.000 0.652 349 G HN 0.585 8.875 8.290 0.000 0.000 0.531 350 S N -0.691 114.741 115.700 -0.447 0.000 2.651 350 S HA 0.793 5.265 4.470 0.003 0.000 0.291 350 S C -0.776 173.394 174.600 -0.716 0.000 1.141 350 S CA -0.393 57.553 58.200 -0.425 0.000 1.027 350 S CB 1.099 64.252 63.200 -0.078 0.000 1.043 350 S HN 0.332 8.642 8.310 0.000 0.000 0.530 351 Y N 0.963 121.228 120.300 -0.059 0.000 2.391 351 Y HA 0.431 4.983 4.550 0.003 0.000 0.341 351 Y C 0.176 175.979 175.900 -0.162 0.000 0.965 351 Y CA -0.748 57.333 58.100 -0.032 0.000 1.067 351 Y CB 1.213 39.679 38.460 0.009 0.000 1.199 351 Y HN 0.591 8.871 8.280 0.000 0.000 0.450 352 H N 1.514 120.740 119.070 0.261 0.000 2.658 352 H HA 0.370 4.928 4.556 0.003 0.000 0.337 352 H C 0.725 176.154 175.328 0.168 0.000 1.009 352 H CA -0.401 55.773 56.048 0.209 0.000 1.231 352 H CB 1.932 31.764 29.762 0.117 0.000 1.508 352 H HN 0.950 9.230 8.280 0.000 0.000 0.517 353 G N 2.968 111.919 108.800 0.253 0.000 2.225 353 G HA2 -0.289 3.673 3.960 0.003 0.000 0.267 353 G HA3 -0.289 3.673 3.960 0.003 0.000 0.267 353 G C 0.160 175.143 174.900 0.138 0.000 1.024 353 G CA 0.912 46.116 45.100 0.173 0.000 0.784 353 G HN 0.656 8.946 8.290 0.000 0.000 0.507 354 Q N -1.365 118.521 119.800 0.143 0.000 2.438 354 Q HA 0.659 5.000 4.340 0.003 0.000 0.272 354 Q C -0.033 176.009 176.000 0.071 0.000 0.994 354 Q CA -0.120 55.750 55.803 0.112 0.000 0.887 354 Q CB 1.287 30.119 28.738 0.157 0.000 1.432 354 Q HN 1.142 9.412 8.270 0.000 0.000 0.392 355 A N 1.362 124.180 122.820 -0.003 0.000 2.280 355 A HA 0.671 4.993 4.320 0.003 0.000 0.268 355 A C 0.033 177.420 177.584 -0.328 0.000 1.111 355 A CA 0.142 52.115 52.037 -0.105 0.000 0.814 355 A CB 0.406 19.364 19.000 -0.070 0.000 1.093 355 A HN 0.844 8.994 8.150 0.000 0.000 0.498 356 S N 0.288 115.627 115.700 -0.601 0.000 2.608 356 S HA 0.524 4.996 4.470 0.003 0.000 0.261 356 S C -0.112 174.183 174.600 -0.508 0.000 1.314 356 S CA -0.178 57.321 58.200 -1.169 0.000 0.992 356 S CB 0.281 62.908 63.200 -0.954 0.000 0.935 356 S HN 0.867 9.177 8.310 0.000 0.000 0.564 357 K N 0.000 120.175 120.400 -0.375 0.000 2.780 357 K HA 0.000 4.322 4.320 0.003 0.000 0.191 357 K CA 0.000 56.230 56.287 -0.095 0.000 0.838 357 K CB 0.000 32.457 32.500 -0.072 0.000 1.064 357 K HN 0.000 8.250 8.250 0.000 0.000 0.543