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 2gew_1_A DATA FIRST_RESID 8 DATA SEQUENCE GGYVPAVVIG TGYGAAVSAL RLGEAGVQTL MLEMGQLWNQ PGPDGNIFCG DATA SEQUENCE MLNPDKRSSW FKNRTEAPLG SFLWLDVVNR NIDPYAGVLD RVNYDQMSVY DATA SEQUENCE VGRGVGGGSL VNGGMAVEPK RSYFEEILPR VDSSEMYDRY FPRANSMLRV DATA SEQUENCE NHIDTKWFED TEWYKFARVS REQAGKAGLG TVFVPNVYDF GYMQREAAGE DATA SEQUENCE VPKSALATEV IYGNNHGKQS LDKTYLAAAL GTGKVTIQTL HQVKTIRQTK DATA SEQUENCE DGGYALTVEQ KDTDGKLLAT KEISCRYLFL GAGSLGSTEL LVRARDTGTL DATA SEQUENCE PNLNSEVGAG WGPNGNIMTA RANHMWNPTG AHQSSIPALG IDAWDNSDSS DATA SEQUENCE VFAEIAPMPA GLETWVSLYL AITKNPQRGT FVYDAATDRA KLNWTRDQNA DATA SEQUENCE PAVNAAKALF DRINKANGTI YRYDLFGTQL KAFADDFCYH PLGGCVLGKA DATA SEQUENCE TDDYGRVAGY KNLYVTDGSL IPGSVGVNPF VTITALAERN VERIIKQDVT DATA SEQUENCE A 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 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.992 3.960 0.054 0.000 0.244 8 G C 0.000 174.929 174.900 0.049 0.000 0.946 8 G CA 0.000 45.131 45.100 0.052 0.000 0.502 9 G N -2.410 106.426 108.800 0.060 0.000 2.334 9 G HA2 -0.219 3.796 3.960 0.092 0.000 0.315 9 G HA3 -0.219 3.789 3.960 0.080 0.000 0.315 9 G C -3.312 171.657 174.900 0.114 0.000 1.284 9 G CA -0.285 44.866 45.100 0.085 0.000 0.985 9 G HN -0.302 8.025 8.290 0.061 0.000 0.504 10 Y N 2.228 122.535 120.300 0.012 0.000 2.308 10 Y HA 0.593 5.356 4.550 0.017 -0.203 0.329 10 Y C -0.866 175.046 175.900 0.021 0.000 1.111 10 Y CA -1.100 57.008 58.100 0.014 0.000 1.179 10 Y CB 1.640 40.102 38.460 0.003 0.000 1.201 10 Y HN -0.039 8.385 8.280 0.240 0.000 0.483 11 V N 7.962 127.434 119.914 -0.737 0.000 2.760 11 V HA 0.585 4.355 4.120 -0.582 0.000 0.309 11 V C -2.586 172.999 176.094 -0.848 0.000 1.077 11 V CA -4.290 57.617 62.300 -0.654 0.000 0.910 11 V CB 3.429 35.103 31.823 -0.248 0.000 1.008 11 V HN 0.338 8.144 8.190 -0.640 0.000 0.424 12 P HA -0.161 4.089 4.420 -0.282 0.000 0.214 12 P C -1.595 175.731 177.300 0.045 0.000 1.163 12 P CA 2.157 65.126 63.100 -0.217 0.000 0.889 12 P CB 0.502 32.233 31.700 0.051 0.000 0.790 13 A N -6.153 116.737 122.820 0.117 0.000 2.342 13 A HA 0.817 5.570 4.320 0.385 -0.202 0.323 13 A C -2.028 175.633 177.584 0.128 0.000 1.125 13 A CA -1.722 50.473 52.037 0.262 0.000 0.785 13 A CB 3.161 22.335 19.000 0.290 0.000 1.221 13 A HN -0.467 7.709 8.150 0.043 0.000 0.463 14 V N 2.415 122.442 119.914 0.188 0.000 2.555 14 V HA 0.836 5.195 4.120 0.063 -0.201 0.302 14 V C -1.422 174.787 176.094 0.191 0.000 1.038 14 V CA -2.238 60.134 62.300 0.120 0.000 0.887 14 V CB 3.324 35.194 31.823 0.079 0.000 0.991 14 V HN 0.070 8.421 8.190 0.268 0.000 0.434 15 V N 7.038 127.010 119.914 0.098 0.000 2.409 15 V HA 0.543 4.974 4.120 0.188 -0.198 0.291 15 V C -0.768 175.358 176.094 0.053 0.000 1.020 15 V CA -1.920 60.437 62.300 0.095 0.000 0.848 15 V CB 1.589 33.407 31.823 -0.008 0.000 0.990 15 V HN 0.552 8.771 8.190 0.049 0.000 0.430 16 I N 6.185 126.793 120.570 0.062 0.000 2.325 16 I HA 0.072 4.258 4.170 0.027 0.000 0.291 16 I C -0.275 175.853 176.117 0.017 0.000 1.019 16 I CA -0.286 61.033 61.300 0.032 0.000 1.302 16 I CB -0.303 37.711 38.000 0.022 0.000 1.401 16 I HN 0.482 8.747 8.210 0.092 0.000 0.485 17 G N 7.665 116.468 108.800 0.005 0.000 2.712 17 G HA2 -0.266 3.807 3.960 -0.009 0.000 0.683 17 G HA3 -0.266 3.861 3.960 -0.009 -0.172 0.683 17 G C -1.550 173.335 174.900 -0.024 0.000 1.320 17 G CA -0.104 44.990 45.100 -0.009 0.000 0.847 17 G HN 0.524 8.819 8.290 0.009 0.000 0.553 18 T N -4.196 110.335 114.554 -0.038 0.000 3.714 18 T HA 0.258 4.565 4.350 -0.072 0.000 0.309 18 T C -0.902 173.729 174.700 -0.115 0.000 0.958 18 T CA -1.642 60.419 62.100 -0.065 0.000 1.010 18 T CB 1.051 69.892 68.868 -0.044 0.000 1.202 18 T HN -0.136 8.161 8.240 -0.035 -0.078 0.476 19 G N 0.128 108.863 108.800 -0.107 0.000 2.504 19 G HA2 0.024 3.980 3.960 -0.268 0.000 0.257 19 G HA3 0.024 3.938 3.960 -0.077 0.000 0.257 19 G C -0.098 174.661 174.900 -0.234 0.000 1.451 19 G CA -0.929 44.067 45.100 -0.174 0.000 1.059 19 G HN -0.790 7.459 8.290 -0.067 0.000 0.550 20 Y N 0.069 120.303 120.300 -0.110 0.000 2.114 20 Y HA -0.412 4.003 4.550 -0.225 0.000 0.284 20 Y C 2.229 178.009 175.900 -0.200 0.000 1.143 20 Y CA 4.421 62.419 58.100 -0.171 0.000 1.135 20 Y CB -0.563 37.834 38.460 -0.105 0.000 0.980 20 Y HN 0.239 8.559 8.280 0.066 0.000 0.499 21 G N -3.300 105.522 108.800 0.037 0.000 2.418 21 G HA2 -0.354 3.576 3.960 -0.050 0.000 0.217 21 G HA3 -0.354 3.729 3.960 0.007 -0.119 0.217 21 G C 0.070 174.924 174.900 -0.078 0.000 1.158 21 G CA 2.074 47.158 45.100 -0.027 0.000 0.771 21 G HN 0.256 8.607 8.290 0.101 0.000 0.545 22 A N 1.055 123.834 122.820 -0.069 0.000 1.902 22 A HA -0.241 4.040 4.320 -0.065 0.000 0.217 22 A C 2.049 179.545 177.584 -0.147 0.000 1.181 22 A CA 2.615 54.601 52.037 -0.085 0.000 0.623 22 A CB -0.881 18.083 19.000 -0.060 0.000 0.818 22 A HN -0.256 7.865 8.150 -0.048 0.000 0.443 23 A N -1.252 121.456 122.820 -0.186 0.000 1.898 23 A HA -0.268 3.975 4.320 -0.129 0.000 0.216 23 A C 1.808 179.252 177.584 -0.234 0.000 1.181 23 A CA 2.696 54.618 52.037 -0.191 0.000 0.620 23 A CB -0.502 18.367 19.000 -0.219 0.000 0.819 23 A HN -0.149 7.885 8.150 -0.193 0.000 0.442 24 V N -1.258 118.399 119.914 -0.429 0.000 2.295 24 V HA -0.454 3.403 4.120 -0.437 0.000 0.246 24 V C 1.937 177.912 176.094 -0.197 0.000 1.049 24 V CA 3.891 65.946 62.300 -0.408 0.000 1.024 24 V CB -0.724 30.842 31.823 -0.427 0.000 0.648 24 V HN -0.352 7.574 8.190 -0.440 0.000 0.447 25 S N 0.669 116.230 115.700 -0.232 0.000 2.356 25 S HA -0.362 3.920 4.470 -0.313 0.000 0.223 25 S C 1.738 176.128 174.600 -0.350 0.000 1.032 25 S CA 3.522 61.525 58.200 -0.329 0.000 1.005 25 S CB -0.789 62.170 63.200 -0.403 0.000 0.867 25 S HN -0.538 7.637 8.310 -0.226 0.000 0.449 26 A N 1.617 124.280 122.820 -0.260 0.000 1.933 26 A HA -0.248 3.918 4.320 -0.257 0.000 0.218 26 A C 1.740 179.246 177.584 -0.130 0.000 1.175 26 A CA 2.771 54.687 52.037 -0.203 0.000 0.628 26 A CB -0.611 18.306 19.000 -0.137 0.000 0.814 26 A HN -0.220 7.793 8.150 -0.228 0.000 0.444 27 L N -0.865 120.319 121.223 -0.065 0.000 1.989 27 L HA -0.351 3.980 4.340 -0.015 0.000 0.211 27 L C 1.771 178.616 176.870 -0.042 0.000 1.071 27 L CA 3.110 57.946 54.840 -0.007 0.000 0.749 27 L CB -0.398 41.733 42.059 0.120 0.000 0.890 27 L HN -0.363 7.831 8.230 -0.059 0.000 0.431 28 R N -2.344 118.117 120.500 -0.066 0.000 2.090 28 R HA -0.200 4.114 4.340 -0.044 0.000 0.228 28 R C 3.000 179.228 176.300 -0.121 0.000 1.110 28 R CA 1.026 57.080 56.100 -0.076 0.000 0.973 28 R CB -0.820 29.434 30.300 -0.076 0.000 0.869 28 R HN -0.535 7.690 8.270 -0.075 0.000 0.440 29 L N -0.986 120.123 121.223 -0.189 0.000 2.012 29 L HA -0.376 3.851 4.340 -0.188 0.000 0.210 29 L C 1.967 178.769 176.870 -0.113 0.000 1.073 29 L CA 3.267 57.992 54.840 -0.191 0.000 0.748 29 L CB -0.673 41.215 42.059 -0.285 0.000 0.891 29 L HN 0.127 8.219 8.230 -0.230 0.000 0.431 30 G N -2.882 105.860 108.800 -0.096 0.000 2.422 30 G HA2 -0.342 3.585 3.960 -0.055 0.000 0.218 30 G HA3 -0.342 3.584 3.960 -0.057 0.000 0.218 30 G C 1.891 176.763 174.900 -0.046 0.000 1.146 30 G CA 1.691 46.755 45.100 -0.061 0.000 0.769 30 G HN -0.078 8.146 8.290 -0.109 0.000 0.547 31 E N 2.693 122.865 120.200 -0.046 0.000 2.204 31 E HA -0.287 4.045 4.350 -0.029 0.000 0.195 31 E C 1.422 178.001 176.600 -0.034 0.000 0.990 31 E CA 2.103 58.482 56.400 -0.034 0.000 0.821 31 E CB -0.059 29.623 29.700 -0.029 0.000 0.750 31 E HN -0.188 8.141 8.360 -0.052 0.000 0.477 32 A N -4.036 118.757 122.820 -0.045 0.000 2.238 32 A HA 0.088 4.388 4.320 -0.033 0.000 0.208 32 A C -0.048 177.520 177.584 -0.027 0.000 1.177 32 A CA -0.262 51.750 52.037 -0.041 0.000 0.804 32 A CB -0.117 18.845 19.000 -0.063 0.000 0.823 32 A HN -0.477 7.509 8.150 -0.058 0.129 0.482 33 G N -3.030 105.756 108.800 -0.023 0.000 2.132 33 G HA2 -0.242 3.713 3.960 -0.008 0.000 0.234 33 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.234 33 G C -0.558 174.344 174.900 0.003 0.000 0.989 33 G CA -0.140 44.956 45.100 -0.007 0.000 0.676 33 G HN -0.557 7.527 8.290 -0.030 0.188 0.522 34 V N 2.525 122.434 119.914 -0.008 0.000 2.364 34 V HA 0.046 4.196 4.120 0.050 0.000 0.272 34 V C -0.928 175.169 176.094 0.005 0.000 1.036 34 V CA -1.473 60.837 62.300 0.018 0.000 0.880 34 V CB -0.543 31.279 31.823 -0.000 0.000 0.991 34 V HN -0.454 7.718 8.190 -0.028 0.000 0.460 35 Q N 8.889 128.699 119.800 0.018 0.000 2.274 35 Q HA -0.046 4.463 4.340 -0.016 -0.179 0.280 35 Q C -0.569 175.419 176.000 -0.019 0.000 1.047 35 Q CA 0.272 56.070 55.803 -0.008 0.000 0.907 35 Q CB 0.172 28.904 28.738 -0.010 0.000 1.171 35 Q HN 0.575 8.867 8.270 0.036 0.000 0.381 36 T N 8.524 123.056 114.554 -0.036 0.000 2.881 36 T HA 0.634 5.199 4.350 -0.022 -0.228 0.290 36 T C -2.249 172.422 174.700 -0.049 0.000 1.000 36 T CA -0.819 61.258 62.100 -0.040 0.000 0.978 36 T CB 2.749 71.576 68.868 -0.068 0.000 0.997 36 T HN 0.418 8.635 8.240 -0.039 0.000 0.443 37 L N 7.062 128.258 121.223 -0.044 0.000 2.313 37 L HA 0.629 5.087 4.340 -0.059 -0.154 0.283 37 L C -2.412 174.433 176.870 -0.041 0.000 1.013 37 L CA -1.482 53.327 54.840 -0.052 0.000 0.816 37 L CB 3.129 45.152 42.059 -0.061 0.000 1.236 37 L HN 0.480 8.690 8.230 -0.033 0.000 0.419 38 M N 5.779 125.348 119.600 -0.051 0.000 2.264 38 M HA 0.658 5.355 4.480 -0.026 -0.232 0.352 38 M C -1.207 175.065 176.300 -0.047 0.000 1.173 38 M CA -0.680 54.596 55.300 -0.041 0.000 1.075 38 M CB 2.022 34.594 32.600 -0.046 0.000 1.621 38 M HN 0.659 8.914 8.290 -0.059 0.000 0.457 39 L N 1.996 123.206 121.223 -0.021 0.000 2.319 39 L HA 0.646 5.112 4.340 -0.040 -0.150 0.281 39 L C -1.564 175.320 176.870 0.023 0.000 1.005 39 L CA -1.201 53.636 54.840 -0.006 0.000 0.828 39 L CB 1.484 43.559 42.059 0.026 0.000 1.227 39 L HN 0.463 8.688 8.230 -0.008 0.000 0.415 40 E N 4.167 124.389 120.200 0.037 0.000 2.176 40 E HA 0.453 4.821 4.350 0.030 0.000 0.267 40 E C -0.287 176.369 176.600 0.093 0.000 0.893 40 E CA -1.665 54.762 56.400 0.046 0.000 0.761 40 E CB 2.982 32.702 29.700 0.033 0.000 1.133 40 E HN 0.257 8.636 8.360 0.030 0.000 0.409 41 M N 4.706 124.351 119.600 0.075 0.000 2.319 41 M HA 0.056 4.719 4.480 0.164 -0.085 0.265 41 M C 0.294 176.730 176.300 0.227 0.000 1.068 41 M CA 2.253 57.632 55.300 0.132 0.000 1.118 41 M CB 0.615 33.264 32.600 0.082 0.000 1.395 41 M HN 0.507 8.818 8.290 0.035 0.000 0.435 42 G N -2.061 106.826 108.800 0.145 0.000 2.532 42 G HA2 0.129 4.395 3.960 0.510 0.000 0.291 42 G HA3 0.129 4.234 3.960 0.242 0.000 0.291 42 G C -2.040 172.959 174.900 0.164 0.000 1.349 42 G CA -1.839 43.425 45.100 0.274 0.000 1.038 42 G HN -0.346 8.316 8.290 0.065 -0.333 0.518 43 Q N -2.496 117.348 119.800 0.074 0.000 2.260 43 Q HA 0.056 4.300 4.340 -0.160 0.000 0.238 43 Q C -1.051 174.831 176.000 -0.196 0.000 0.948 43 Q CA -0.959 54.700 55.803 -0.241 0.000 0.895 43 Q CB 2.086 30.355 28.738 -0.782 0.000 1.218 43 Q HN 0.342 8.730 8.270 0.197 0.000 0.470 44 L N 1.144 122.252 121.223 -0.192 0.000 2.369 44 L HA 0.072 4.425 4.340 0.021 0.000 0.279 44 L C -0.957 175.792 176.870 -0.203 0.000 1.108 44 L CA 0.014 54.797 54.840 -0.095 0.000 0.852 44 L CB 0.187 42.207 42.059 -0.065 0.000 1.169 44 L HN 0.266 8.387 8.230 -0.181 0.000 0.452 45 W N 8.392 129.690 121.300 -0.003 0.000 2.085 45 W HA 0.036 4.638 4.660 -0.097 0.000 0.392 45 W C -1.142 175.272 176.519 -0.175 0.000 0.862 45 W CA -0.084 57.206 57.345 -0.092 0.000 1.542 45 W CB -0.811 28.633 29.460 -0.027 0.000 1.672 45 W HN 0.511 8.875 8.180 0.307 0.000 0.309 46 N N -1.327 117.345 118.700 -0.046 0.000 2.142 46 N HA -0.008 4.692 4.740 -0.068 0.000 0.233 46 N C -1.342 174.122 175.510 -0.078 0.000 1.335 46 N CA 0.113 53.127 53.050 -0.060 0.000 0.837 46 N CB 1.011 39.475 38.487 -0.038 0.000 1.238 46 N HN -0.369 7.946 8.380 -0.108 0.000 0.501 47 Q N 0.145 119.888 119.800 -0.094 0.000 2.309 47 Q HA 0.507 4.809 4.340 -0.063 0.000 0.264 47 Q C -2.059 173.906 176.000 -0.059 0.000 1.008 47 Q CA -3.233 52.525 55.803 -0.075 0.000 0.853 47 Q CB 0.761 29.449 28.738 -0.083 0.000 1.314 47 Q HN -0.186 8.017 8.270 -0.112 0.000 0.448 48 P HA -0.035 4.493 4.420 -0.034 -0.128 0.275 48 P C -0.709 176.582 177.300 -0.016 0.000 1.227 48 P CA -0.301 62.782 63.100 -0.028 0.000 0.781 48 P CB 0.654 32.343 31.700 -0.017 0.000 0.906 49 G N 1.890 110.689 108.800 -0.001 0.000 2.510 49 G HA2 0.236 4.187 3.960 -0.015 0.000 0.280 49 G HA3 0.236 4.202 3.960 0.010 0.000 0.280 49 G C 0.391 175.285 174.900 -0.010 0.000 1.386 49 G CA -1.607 43.491 45.100 -0.003 0.000 1.047 49 G HN 0.374 8.556 8.290 0.003 0.110 0.527 50 P HA -0.147 4.260 4.420 -0.023 0.000 0.222 50 P C -1.372 175.926 177.300 -0.003 0.000 1.142 50 P CA 1.944 65.032 63.100 -0.019 0.000 0.788 50 P CB -0.164 31.518 31.700 -0.030 0.000 0.767 51 D N -6.592 113.813 120.400 0.008 0.000 2.431 51 D HA -0.012 4.639 4.640 0.019 0.000 0.213 51 D C 0.665 176.982 176.300 0.028 0.000 1.130 51 D CA -1.055 52.958 54.000 0.021 0.000 0.834 51 D CB -0.833 39.987 40.800 0.033 0.000 0.985 51 D HN -0.428 7.858 8.370 0.008 0.089 0.504 52 G N -0.410 108.401 108.800 0.018 0.000 2.179 52 G HA2 -0.478 3.489 3.960 0.012 0.000 0.260 52 G HA3 -0.478 3.498 3.960 0.028 0.000 0.260 52 G C -0.503 174.410 174.900 0.022 0.000 0.977 52 G CA 0.541 45.653 45.100 0.021 0.000 0.641 52 G HN -0.050 7.985 8.290 0.011 0.262 0.533 53 N N -0.340 118.375 118.700 0.025 0.000 2.443 53 N HA 0.408 5.150 4.740 0.004 0.000 0.293 53 N C -0.108 175.385 175.510 -0.027 0.000 1.159 53 N CA -1.533 51.526 53.050 0.014 0.000 0.904 53 N CB 1.968 40.490 38.487 0.058 0.000 1.214 53 N HN -0.484 8.120 8.380 0.029 -0.207 0.513 54 I N 1.181 121.677 120.570 -0.122 0.000 2.202 54 I HA -0.225 4.015 4.170 -0.149 -0.159 0.242 54 I C 0.553 176.531 176.117 -0.232 0.000 1.091 54 I CA 3.736 64.874 61.300 -0.270 0.000 1.368 54 I CB 0.943 38.605 38.000 -0.564 0.000 1.058 54 I HN -0.040 8.177 8.210 -0.134 -0.087 0.410 55 F N -2.796 117.198 119.950 0.073 0.000 2.492 55 F HA 0.252 4.787 4.527 0.014 0.000 0.327 55 F C -0.400 175.427 175.800 0.044 0.000 1.079 55 F CA -0.880 57.130 58.000 0.018 0.000 0.967 55 F CB 1.921 40.882 39.000 -0.065 0.000 1.169 55 F HN -0.494 8.122 8.300 -0.020 -0.328 0.472 56 C N 0.077 119.525 119.300 0.247 0.000 2.480 56 C HA 0.187 4.742 4.460 0.158 0.000 0.358 56 C C -0.001 175.140 174.990 0.251 0.000 1.309 56 C CA -1.985 57.142 59.018 0.182 0.000 2.465 56 C CB 1.153 28.950 27.740 0.094 0.000 2.379 56 C HN 0.465 8.837 8.230 0.237 0.000 0.642 57 G N -2.016 106.912 108.800 0.214 0.000 2.522 57 G HA2 0.394 4.458 3.960 0.175 0.000 0.304 57 G HA3 0.394 4.458 3.960 0.146 -0.017 0.304 57 G C -0.012 175.055 174.900 0.279 0.000 1.210 57 G CA -1.360 43.860 45.100 0.200 0.000 0.960 57 G HN -0.301 8.292 8.290 0.170 -0.200 0.497 58 M N 0.251 119.939 119.600 0.146 0.000 2.394 58 M HA -0.168 4.505 4.480 0.320 0.000 0.264 58 M C 0.941 177.338 176.300 0.162 0.000 1.073 58 M CA 2.483 57.868 55.300 0.142 0.000 1.111 58 M CB 0.419 32.990 32.600 -0.048 0.000 1.401 58 M HN 0.298 8.629 8.290 0.069 0.000 0.448 59 L N -4.947 116.345 121.223 0.115 0.000 2.558 59 L HA 0.006 4.397 4.340 0.086 0.000 0.225 59 L C -0.219 176.705 176.870 0.090 0.000 1.128 59 L CA 0.198 55.093 54.840 0.091 0.000 0.868 59 L CB -0.014 42.087 42.059 0.070 0.000 1.006 59 L HN -0.074 8.191 8.230 0.105 0.028 0.454 60 N N -5.035 113.731 118.700 0.110 0.000 2.646 60 N HA 0.257 5.034 4.740 0.061 0.000 0.296 60 N C -2.699 172.851 175.510 0.067 0.000 1.886 60 N CA -2.880 50.216 53.050 0.077 0.000 0.855 60 N CB -0.130 38.396 38.487 0.066 0.000 1.336 60 N HN -0.699 7.606 8.380 0.139 0.158 0.496 61 P HA -0.086 4.268 4.420 -0.110 0.000 0.269 61 P C -1.275 175.978 177.300 -0.080 0.000 1.209 61 P CA 0.359 63.425 63.100 -0.058 0.000 0.776 61 P CB 0.547 32.212 31.700 -0.060 0.000 0.876 62 D N 0.764 121.086 120.400 -0.131 0.000 2.958 62 D HA 0.070 4.657 4.640 -0.089 0.000 0.306 62 D C 0.490 176.710 176.300 -0.133 0.000 1.226 62 D CA -1.364 52.572 54.000 -0.106 0.000 1.032 62 D CB 0.850 41.601 40.800 -0.082 0.000 1.400 62 D HN -0.450 7.810 8.370 -0.183 0.000 0.587 63 K N -2.817 117.493 120.400 -0.149 0.000 2.209 63 K HA -0.282 3.981 4.320 -0.096 0.000 0.204 63 K C 2.233 178.822 176.600 -0.018 0.000 1.048 63 K CA 2.800 58.997 56.287 -0.149 0.000 0.940 63 K CB -0.403 31.910 32.500 -0.313 0.000 0.729 63 K HN 0.268 8.419 8.250 -0.166 0.000 0.451 64 R N -2.024 118.473 120.500 -0.005 0.000 2.285 64 R HA -0.204 4.502 4.340 0.610 0.000 0.213 64 R C 1.685 178.064 176.300 0.133 0.000 1.068 64 R CA 2.559 58.832 56.100 0.288 0.000 1.004 64 R CB -0.192 30.295 30.300 0.311 0.000 0.873 64 R HN -0.314 8.123 8.270 -0.086 -0.219 0.467 65 S N -4.303 111.315 115.700 -0.137 0.000 2.489 65 S HA -0.068 4.124 4.470 -0.464 0.000 0.228 65 S C -0.252 174.270 174.600 -0.129 0.000 0.995 65 S CA 1.558 59.480 58.200 -0.464 0.000 0.934 65 S CB 0.339 62.842 63.200 -1.163 0.000 0.771 65 S HN -0.400 7.645 8.310 -0.155 0.172 0.522 66 S N 1.053 116.773 115.700 0.033 0.000 2.548 66 S HA 0.346 5.104 4.470 0.168 -0.187 0.276 66 S C -1.874 172.828 174.600 0.170 0.000 1.129 66 S CA -0.661 57.609 58.200 0.116 0.000 0.931 66 S CB 2.394 65.624 63.200 0.049 0.000 1.068 66 S HN -0.797 7.489 8.310 0.061 0.061 0.480 67 W N 9.849 131.176 121.300 0.045 0.000 2.507 67 W HA 0.063 4.793 4.660 -0.102 -0.131 0.334 67 W C -0.341 176.235 176.519 0.095 0.000 1.165 67 W CA -0.701 56.663 57.345 0.033 0.000 1.460 67 W CB -0.040 29.512 29.460 0.153 0.000 1.404 67 W HN -0.006 8.419 8.180 0.408 0.000 0.435 68 F N 5.130 124.940 119.950 -0.233 0.000 2.891 68 F HA -0.409 4.070 4.527 -0.196 -0.070 0.272 68 F C -1.384 174.388 175.800 -0.046 0.000 1.004 68 F CA 1.204 59.066 58.000 -0.230 0.000 0.938 68 F CB -2.386 36.364 39.000 -0.416 0.000 0.939 68 F HN 0.077 7.823 8.300 -0.923 0.000 0.833 69 K N -1.866 118.569 120.400 0.058 0.000 2.295 69 K HA 0.251 4.625 4.320 0.090 0.000 0.239 69 K C -0.593 176.034 176.600 0.044 0.000 0.991 69 K CA -2.136 54.195 56.287 0.073 0.000 0.845 69 K CB 2.437 34.985 32.500 0.081 0.000 1.197 69 K HN -0.554 7.692 8.250 -0.006 0.000 0.441 70 N N -1.034 117.694 118.700 0.048 0.000 2.203 70 N HA 0.046 4.978 4.740 0.026 -0.176 0.207 70 N C -0.459 175.070 175.510 0.031 0.000 1.130 70 N CA -0.613 52.458 53.050 0.034 0.000 0.861 70 N CB 0.924 39.433 38.487 0.036 0.000 1.005 70 N HN 0.315 8.728 8.380 0.055 0.000 0.507 71 R N -1.496 119.028 120.500 0.040 0.000 2.566 71 R HA 0.436 4.942 4.340 0.030 -0.149 0.271 71 R C -1.374 174.958 176.300 0.053 0.000 1.071 71 R CA -0.800 55.326 56.100 0.044 0.000 0.915 71 R CB 2.936 33.271 30.300 0.058 0.000 1.228 71 R HN -0.814 7.429 8.270 0.047 0.055 0.449 72 T N 4.053 118.631 114.554 0.040 0.000 2.802 72 T HA -0.079 4.291 4.350 0.033 0.000 0.305 72 T C 0.770 175.541 174.700 0.118 0.000 1.053 72 T CA -0.162 61.966 62.100 0.048 0.000 1.058 72 T CB 0.731 69.604 68.868 0.008 0.000 0.988 72 T HN 0.284 8.541 8.240 0.028 0.000 0.539 73 E N 2.823 123.127 120.200 0.174 0.000 2.292 73 E HA 0.203 4.215 4.350 -0.563 0.000 0.272 73 E C -2.000 174.773 176.600 0.289 0.000 0.881 73 E CA -0.961 55.583 56.400 0.240 0.000 0.754 73 E CB 1.717 31.565 29.700 0.248 0.000 1.201 73 E HN 0.056 nan 8.360 nan 0.000 0.425 74 A N 3.727 126.726 122.820 0.298 0.000 2.462 74 A HA 0.121 4.583 4.320 0.237 0.000 0.243 74 A C -1.744 175.985 177.584 0.240 0.000 1.076 74 A CA -1.038 51.159 52.037 0.266 0.000 0.773 74 A CB -0.273 18.897 19.000 0.284 0.000 1.010 74 A HN 0.142 8.495 8.150 0.339 0.000 0.493 75 P HA -0.097 4.358 4.420 0.058 0.000 0.266 75 P C -0.690 176.667 177.300 0.096 0.000 1.195 75 P CA 0.152 63.293 63.100 0.070 0.000 0.768 75 P CB 0.477 32.157 31.700 -0.033 0.000 0.838 76 L N 1.855 123.102 121.223 0.040 0.000 2.540 76 L HA -0.461 3.958 4.340 0.131 0.000 0.276 76 L C 1.200 178.143 176.870 0.122 0.000 1.212 76 L CA 1.512 56.382 54.840 0.049 0.000 0.893 76 L CB -0.675 41.245 42.059 -0.232 0.000 1.138 76 L HN 0.262 8.487 8.230 -0.008 0.000 0.491 77 G N 2.018 110.962 108.800 0.240 0.000 2.258 77 G HA2 -0.266 3.661 3.960 -0.055 0.000 0.233 77 G HA3 -0.266 3.763 3.960 0.114 0.000 0.233 77 G C -0.516 174.467 174.900 0.138 0.000 1.006 77 G CA 0.489 45.658 45.100 0.114 0.000 0.620 77 G HN 0.491 8.957 8.290 0.293 0.000 0.511 78 S N -2.081 113.742 115.700 0.204 0.000 2.539 78 S HA 0.223 4.960 4.470 0.446 0.000 0.221 78 S C 0.713 175.501 174.600 0.314 0.000 0.987 78 S CA -0.047 58.336 58.200 0.305 0.000 0.929 78 S CB 1.268 64.573 63.200 0.176 0.000 0.832 78 S HN -0.435 7.846 8.310 0.187 0.140 0.492 79 F N 4.448 124.448 119.950 0.084 0.000 2.115 79 F HA -0.460 4.095 4.527 0.047 0.000 0.300 79 F C 0.915 176.657 175.800 -0.097 0.000 1.092 79 F CA 3.883 61.892 58.000 0.015 0.000 1.245 79 F CB 0.084 39.083 39.000 -0.002 0.000 0.995 79 F HN -0.182 8.329 8.300 0.352 0.000 0.481 80 L N -4.184 116.911 121.223 -0.214 0.000 2.265 80 L HA -0.371 3.672 4.340 -0.495 0.000 0.215 80 L C 1.320 177.694 176.870 -0.826 0.000 1.117 80 L CA 2.380 56.811 54.840 -0.681 0.000 0.782 80 L CB -0.718 40.628 42.059 -1.188 0.000 0.914 80 L HN -0.154 8.001 8.230 -0.095 0.018 0.441 81 W N -4.462 116.771 121.300 -0.112 0.000 2.842 81 W HA 0.090 4.692 4.660 -0.096 0.000 0.267 81 W C 0.889 177.338 176.519 -0.118 0.000 1.219 81 W CA 1.359 58.643 57.345 -0.101 0.000 1.458 81 W CB 1.441 30.856 29.460 -0.075 0.000 1.006 81 W HN -0.514 7.624 8.180 0.008 0.047 0.603 82 L N -4.529 116.729 121.223 0.058 0.000 2.766 82 L HA 0.239 4.599 4.340 0.033 0.000 0.242 82 L C 0.991 177.800 176.870 -0.102 0.000 1.136 82 L CA -0.191 54.659 54.840 0.016 0.000 0.933 82 L CB -0.027 42.083 42.059 0.084 0.000 1.241 82 L HN -0.399 7.860 8.230 0.050 0.000 0.522 83 D N 1.651 121.843 120.400 -0.348 0.000 2.182 83 D HA -0.353 4.107 4.640 -0.299 0.000 0.201 83 D C 1.691 177.856 176.300 -0.224 0.000 0.986 83 D CA 3.572 57.300 54.000 -0.454 0.000 0.847 83 D CB -0.022 40.114 40.800 -1.107 0.000 0.942 83 D HN -0.365 7.734 8.370 -0.452 0.000 0.467 84 V N -0.794 119.015 119.914 -0.174 0.000 2.594 84 V HA -0.211 3.851 4.120 -0.097 0.000 0.253 84 V C 0.638 176.707 176.094 -0.043 0.000 1.069 84 V CA 2.601 64.845 62.300 -0.093 0.000 1.082 84 V CB -0.111 31.671 31.823 -0.069 0.000 0.680 84 V HN -0.227 7.808 8.190 -0.190 0.041 0.469 85 V N -4.436 115.464 119.914 -0.023 0.000 3.623 85 V HA 0.121 4.245 4.120 0.006 0.000 0.271 85 V C 0.305 176.408 176.094 0.015 0.000 1.248 85 V CA 0.192 62.497 62.300 0.009 0.000 1.156 85 V CB -0.581 31.262 31.823 0.034 0.000 0.870 85 V HN -0.600 7.428 8.190 -0.030 0.143 0.453 86 N N 1.213 119.918 118.700 0.008 0.000 2.479 86 N HA 0.007 4.772 4.740 0.041 0.000 0.257 86 N C -0.422 175.099 175.510 0.019 0.000 1.232 86 N CA 1.097 54.164 53.050 0.029 0.000 0.920 86 N CB 0.461 38.977 38.487 0.048 0.000 1.105 86 N HN -0.600 7.546 8.380 -0.015 0.225 0.444 87 R N -0.937 119.574 120.500 0.019 0.000 2.774 87 R HA 0.187 4.534 4.340 0.010 0.000 0.272 87 R C -1.310 174.996 176.300 0.010 0.000 1.000 87 R CA -2.632 53.473 56.100 0.009 0.000 0.906 87 R CB 3.869 34.167 30.300 -0.003 0.000 1.227 87 R HN 0.243 8.526 8.270 0.022 0.000 0.468 88 N N 0.721 119.426 118.700 0.008 0.000 2.492 88 N HA 0.090 4.979 4.740 0.014 -0.140 0.260 88 N C 0.403 175.907 175.510 -0.009 0.000 1.215 88 N CA 0.470 53.524 53.050 0.006 0.000 0.923 88 N CB 0.333 38.824 38.487 0.007 0.000 1.092 88 N HN 0.217 8.601 8.380 0.007 0.000 0.448 89 I N -3.813 116.750 120.570 -0.011 0.000 2.969 89 I HA 0.356 4.500 4.170 -0.042 0.000 0.307 89 I C -1.459 174.644 176.117 -0.022 0.000 1.149 89 I CA -2.063 59.218 61.300 -0.032 0.000 1.008 89 I CB 3.772 41.744 38.000 -0.046 0.000 1.232 89 I HN -0.052 8.052 8.210 -0.001 0.106 0.435 90 D N 3.255 123.633 120.400 -0.036 0.000 2.389 90 D HA 0.104 4.745 4.640 0.001 0.000 0.247 90 D C -1.981 174.315 176.300 -0.007 0.000 1.128 90 D CA -1.252 52.739 54.000 -0.014 0.000 0.884 90 D CB -0.196 40.590 40.800 -0.023 0.000 1.194 90 D HN 0.060 8.396 8.370 -0.057 0.000 0.441 91 P HA -0.116 4.425 4.420 -0.049 -0.151 0.267 91 P C -1.815 175.415 177.300 -0.116 0.000 1.209 91 P CA 0.151 63.257 63.100 0.009 0.000 0.763 91 P CB 0.606 32.413 31.700 0.179 0.000 0.816 92 Y N 3.326 123.149 120.300 -0.795 0.000 2.625 92 Y HA 0.284 4.568 4.550 -0.708 -0.159 0.338 92 Y C -1.833 173.113 175.900 -1.589 0.000 1.123 92 Y CA -1.595 55.963 58.100 -0.903 0.000 1.046 92 Y CB 4.565 42.797 38.460 -0.380 0.000 1.299 92 Y HN -0.534 7.352 8.280 -0.656 0.000 0.464 93 A N 3.630 125.395 122.820 -1.759 0.000 3.051 93 A HA 0.135 3.509 4.320 -1.576 0.000 0.257 93 A C -0.807 176.601 177.584 -0.294 0.000 1.785 93 A CA -0.788 50.554 52.037 -1.157 0.000 1.420 93 A CB -2.051 16.574 19.000 -0.626 0.000 1.063 93 A HN -0.041 7.016 8.150 -1.823 0.000 0.630 94 G N -0.470 108.365 108.800 0.058 0.000 2.588 94 G HA2 0.182 4.654 3.960 0.852 0.000 0.278 94 G HA3 0.182 4.527 3.960 0.430 -0.127 0.278 94 G C -0.526 174.767 174.900 0.654 0.000 1.307 94 G CA -0.938 44.495 45.100 0.556 0.000 1.016 94 G HN -0.468 7.617 8.290 -0.219 0.074 0.503 95 V N -1.422 118.710 119.914 0.362 0.000 3.174 95 V HA 0.095 4.572 4.120 0.316 -0.168 0.254 95 V C -0.803 175.369 176.094 0.130 0.000 1.120 95 V CA 0.340 62.714 62.300 0.124 0.000 1.114 95 V CB 1.322 32.859 31.823 -0.476 0.000 0.756 95 V HN -0.130 8.206 8.190 0.244 0.000 0.467 96 L N -1.105 120.236 121.223 0.197 0.000 2.325 96 L HA 0.471 5.024 4.340 0.146 -0.125 0.281 96 L C -2.502 174.518 176.870 0.250 0.000 1.004 96 L CA -1.580 53.384 54.840 0.205 0.000 0.823 96 L CB 2.677 44.906 42.059 0.283 0.000 1.236 96 L HN -0.927 7.438 8.230 0.224 0.000 0.415 97 D N 6.796 127.303 120.400 0.178 0.000 2.414 97 D HA 0.347 5.141 4.640 0.258 0.000 0.232 97 D C -1.860 174.468 176.300 0.046 0.000 1.070 97 D CA -1.656 52.437 54.000 0.156 0.000 0.839 97 D CB 2.468 43.267 40.800 -0.002 0.000 1.079 97 D HN 0.473 8.920 8.370 0.129 0.000 0.521 98 R N 6.369 126.852 120.500 -0.029 0.000 2.220 98 R HA -0.007 4.066 4.340 -0.636 -0.115 0.340 98 R C -0.988 175.187 176.300 -0.207 0.000 1.076 98 R CA -0.096 55.789 56.100 -0.358 0.000 0.920 98 R CB 0.066 30.130 30.300 -0.393 0.000 1.062 98 R HN 0.384 8.694 8.270 0.067 0.000 0.469 99 V N 9.003 128.782 119.914 -0.226 0.000 2.368 99 V HA 0.041 4.035 4.120 -0.210 0.000 0.266 99 V C -1.442 174.423 176.094 -0.382 0.000 1.045 99 V CA -1.346 60.797 62.300 -0.261 0.000 0.899 99 V CB 0.028 31.711 31.823 -0.233 0.000 1.006 99 V HN 0.736 8.783 8.190 -0.239 0.000 0.470 100 N N 7.827 126.317 118.700 -0.350 0.000 2.426 100 N HA 0.165 4.797 4.740 -0.180 0.000 0.257 100 N C -0.822 174.468 175.510 -0.367 0.000 1.002 100 N CA -0.657 52.240 53.050 -0.255 0.000 0.942 100 N CB 0.967 39.386 38.487 -0.112 0.000 1.112 100 N HN 0.371 8.578 8.380 -0.287 0.000 0.499 101 Y N 4.041 124.326 120.300 -0.025 0.000 2.565 101 Y HA 0.134 4.666 4.550 -0.029 0.000 0.325 101 Y C 1.518 177.415 175.900 -0.005 0.000 1.221 101 Y CA -1.301 56.777 58.100 -0.036 0.000 1.316 101 Y CB 2.072 40.471 38.460 -0.103 0.000 1.404 101 Y HN 0.065 8.329 8.280 -0.028 0.000 0.527 102 D N -0.250 120.260 120.400 0.183 0.000 2.123 102 D HA -0.183 4.509 4.640 0.086 0.000 0.196 102 D C 0.429 176.799 176.300 0.116 0.000 0.992 102 D CA 2.983 57.047 54.000 0.108 0.000 0.833 102 D CB 0.211 41.057 40.800 0.076 0.000 0.954 102 D HN 0.579 9.076 8.370 0.211 0.000 0.455 103 Q N -4.743 115.151 119.800 0.158 0.000 2.089 103 Q HA 0.189 4.619 4.340 0.148 0.000 0.248 103 Q C -2.059 174.096 176.000 0.259 0.000 0.828 103 Q CA -1.024 54.890 55.803 0.184 0.000 1.102 103 Q CB 0.872 29.710 28.738 0.166 0.000 1.221 103 Q HN 0.120 8.496 8.270 0.176 0.000 0.455 104 M N -0.894 118.834 119.600 0.213 0.000 2.325 104 M HA 0.153 4.880 4.480 0.178 -0.140 0.285 104 M C -2.537 173.865 176.300 0.169 0.000 1.119 104 M CA -0.337 55.067 55.300 0.174 0.000 0.959 104 M CB 3.380 36.006 32.600 0.043 0.000 1.737 104 M HN -0.764 7.645 8.290 0.198 0.000 0.486 105 S N 6.853 122.652 115.700 0.165 0.000 2.474 105 S HA 0.728 5.393 4.470 0.016 -0.186 0.321 105 S C -1.609 173.088 174.600 0.161 0.000 1.080 105 S CA -0.822 57.434 58.200 0.093 0.000 1.106 105 S CB 1.329 64.577 63.200 0.080 0.000 0.984 105 S HN 0.241 8.668 8.310 0.196 0.000 0.464 106 V N 5.556 125.529 119.914 0.098 0.000 2.398 106 V HA 0.544 5.219 4.120 0.377 -0.328 0.286 106 V C -0.617 175.559 176.094 0.136 0.000 1.026 106 V CA -2.053 60.397 62.300 0.250 0.000 0.868 106 V CB 1.277 33.293 31.823 0.322 0.000 0.982 106 V HN 0.555 8.753 8.190 0.014 0.000 0.443 107 Y N 7.284 127.769 120.300 0.308 0.000 2.320 107 Y HA 0.521 5.384 4.550 0.195 -0.196 0.334 107 Y C -0.174 175.831 175.900 0.175 0.000 1.055 107 Y CA -0.917 57.326 58.100 0.239 0.000 1.143 107 Y CB 1.110 39.731 38.460 0.269 0.000 1.193 107 Y HN 0.383 9.121 8.280 0.764 0.000 0.477 108 V N -2.741 117.298 119.914 0.208 0.000 3.049 108 V HA 0.490 4.707 4.120 0.162 0.000 0.309 108 V C -1.318 174.816 176.094 0.066 0.000 1.148 108 V CA -2.768 59.611 62.300 0.131 0.000 0.990 108 V CB 3.921 35.795 31.823 0.085 0.000 1.039 108 V HN 0.310 8.601 8.190 0.169 0.000 0.430 109 G N 0.770 109.593 108.800 0.039 0.000 2.476 109 G HA2 0.401 4.525 3.960 0.007 0.000 0.269 109 G HA3 0.401 4.505 3.960 -0.008 -0.149 0.269 109 G C -1.092 173.778 174.900 -0.050 0.000 1.195 109 G CA -0.399 44.700 45.100 -0.002 0.000 0.843 109 G HN 0.227 8.552 8.290 0.059 0.000 0.545 110 R N 2.288 122.772 120.500 -0.028 0.000 2.468 110 R HA 0.296 4.536 4.340 -0.168 0.000 0.302 110 R C -1.260 175.168 176.300 0.213 0.000 1.041 110 R CA -1.579 54.475 56.100 -0.077 0.000 0.899 110 R CB 1.401 31.507 30.300 -0.323 0.000 1.167 110 R HN 0.026 8.310 8.270 0.024 0.000 0.483 111 G N 0.847 109.762 108.800 0.191 0.000 2.356 111 G HA2 -0.018 4.209 3.960 0.345 0.000 0.300 111 G HA3 -0.018 4.315 3.960 0.622 0.000 0.300 111 G C -2.509 172.512 174.900 0.203 0.000 1.331 111 G CA 0.166 45.484 45.100 0.364 0.000 0.905 111 G HN -0.321 8.139 8.290 0.075 -0.124 0.587 112 V N 1.974 122.020 119.914 0.221 0.000 2.403 112 V HA -0.292 3.861 4.120 0.055 0.000 0.265 112 V C 0.568 176.708 176.094 0.076 0.000 1.034 112 V CA 0.661 63.024 62.300 0.104 0.000 1.036 112 V CB -1.987 29.884 31.823 0.080 0.000 1.032 112 V HN -0.010 8.354 8.190 0.291 0.000 0.478 113 G N 5.445 114.235 108.800 -0.017 0.000 2.211 113 G HA2 -0.224 3.702 3.960 -0.173 0.000 0.201 113 G HA3 -0.224 3.686 3.960 -0.084 0.000 0.201 113 G C -0.205 174.606 174.900 -0.148 0.000 0.997 113 G CA -0.355 44.680 45.100 -0.109 0.000 0.652 113 G HN 0.369 8.642 8.290 -0.029 0.000 0.500 114 G N 0.966 109.727 108.800 -0.065 0.000 2.614 114 G HA2 -0.459 3.485 3.960 -0.026 0.000 0.303 114 G HA3 -0.459 3.464 3.960 -0.062 0.000 0.303 114 G C 0.116 174.989 174.900 -0.046 0.000 1.270 114 G CA 0.359 45.428 45.100 -0.052 0.000 0.988 114 G HN -0.216 8.064 8.290 -0.018 0.000 0.551 115 G N -0.580 108.228 108.800 0.014 0.000 2.498 115 G HA2 -0.266 3.718 3.960 0.039 0.000 0.219 115 G HA3 -0.266 3.784 3.960 0.150 0.000 0.219 115 G C 1.016 175.942 174.900 0.043 0.000 1.119 115 G CA 1.345 46.487 45.100 0.070 0.000 0.766 115 G HN 0.288 8.602 8.290 0.039 0.000 0.552 116 S N 0.873 116.534 115.700 -0.065 0.000 2.442 116 S HA -0.188 4.253 4.470 -0.049 0.000 0.236 116 S C 1.650 176.161 174.600 -0.147 0.000 1.007 116 S CA 2.227 60.335 58.200 -0.154 0.000 0.965 116 S CB -0.979 61.947 63.200 -0.457 0.000 0.773 116 S HN -0.564 7.614 8.310 -0.154 0.040 0.504 117 L N -0.812 120.318 121.223 -0.155 0.000 2.093 117 L HA -0.143 4.054 4.340 -0.239 0.000 0.208 117 L C 1.445 178.128 176.870 -0.312 0.000 1.085 117 L CA 2.379 57.074 54.840 -0.242 0.000 0.755 117 L CB 0.215 42.127 42.059 -0.245 0.000 0.904 117 L HN -0.519 7.594 8.230 -0.133 0.038 0.435 118 V N -7.807 111.985 119.914 -0.204 0.000 3.643 118 V HA 0.414 4.505 4.120 -0.275 -0.136 0.280 118 V C -0.303 175.711 176.094 -0.132 0.000 1.351 118 V CA -1.735 60.446 62.300 -0.199 0.000 1.073 118 V CB 0.293 32.028 31.823 -0.147 0.000 0.863 118 V HN -0.681 7.293 8.190 -0.140 0.132 0.436 119 N N 2.646 121.321 118.700 -0.043 0.000 2.379 119 N HA 0.025 4.768 4.740 0.005 0.000 0.260 119 N C 0.311 175.863 175.510 0.070 0.000 1.254 119 N CA 0.133 53.213 53.050 0.050 0.000 0.958 119 N CB 0.437 39.037 38.487 0.189 0.000 1.208 119 N HN -0.644 7.712 8.380 -0.040 0.000 0.532 120 G N -3.414 105.470 108.800 0.140 0.000 2.920 120 G HA2 -0.050 3.962 3.960 0.088 0.000 0.208 120 G HA3 -0.050 4.006 3.960 0.161 0.000 0.208 120 G C 0.145 175.169 174.900 0.207 0.000 1.159 120 G CA -0.364 44.823 45.100 0.146 0.000 0.784 120 G HN 0.274 8.670 8.290 0.177 0.000 0.535 121 G N -0.940 108.044 108.800 0.306 0.000 2.184 121 G HA2 -0.417 3.879 3.960 0.455 0.000 0.264 121 G HA3 -0.417 3.891 3.960 0.275 -0.183 0.264 121 G C -0.421 174.725 174.900 0.410 0.000 0.975 121 G CA 0.382 45.714 45.100 0.388 0.000 0.642 121 G HN -0.385 8.267 8.290 0.331 -0.164 0.536 122 M N 0.425 120.171 119.600 0.243 0.000 2.251 122 M HA 0.067 4.777 4.480 0.127 -0.153 0.346 122 M C -1.083 175.038 176.300 -0.298 0.000 1.499 122 M CA 0.872 56.210 55.300 0.062 0.000 1.128 122 M CB 0.307 32.962 32.600 0.092 0.000 1.809 122 M HN -0.567 7.820 8.290 0.266 0.062 0.464 123 A N 7.099 129.795 122.820 -0.208 0.000 2.328 123 A HA 0.393 4.205 4.320 -0.846 0.000 0.318 123 A C -1.882 175.575 177.584 -0.210 0.000 1.347 123 A CA -1.111 50.706 52.037 -0.367 0.000 0.842 123 A CB 0.797 19.787 19.000 -0.017 0.000 1.148 123 A HN 0.349 8.479 8.150 -0.034 0.000 0.499 124 V N 3.736 123.467 119.914 -0.304 0.000 2.577 124 V HA 0.084 4.123 4.120 -0.135 0.000 0.303 124 V C -0.971 174.957 176.094 -0.276 0.000 1.042 124 V CA -1.499 60.667 62.300 -0.223 0.000 0.872 124 V CB 3.101 34.779 31.823 -0.241 0.000 0.998 124 V HN 0.059 7.979 8.190 -0.450 0.000 0.423 125 E N 6.973 127.010 120.200 -0.270 0.000 2.313 125 E HA 0.170 4.218 4.350 -0.504 0.000 0.276 125 E C -1.593 174.770 176.600 -0.396 0.000 1.031 125 E CA -2.229 53.899 56.400 -0.453 0.000 0.857 125 E CB -0.271 29.104 29.700 -0.542 0.000 1.040 125 E HN 0.150 8.388 8.360 -0.203 0.000 0.408 126 P HA 0.011 4.235 4.420 -0.326 0.000 0.272 126 P C -0.845 176.397 177.300 -0.097 0.000 1.240 126 P CA -0.634 62.340 63.100 -0.210 0.000 0.791 126 P CB 0.845 32.560 31.700 0.025 0.000 0.978 127 K N 1.359 121.701 120.400 -0.097 0.000 2.451 127 K HA -0.186 4.105 4.320 -0.048 0.000 0.280 127 K C 1.189 177.841 176.600 0.087 0.000 1.020 127 K CA 0.612 56.893 56.287 -0.011 0.000 1.008 127 K CB 0.681 33.186 32.500 0.008 0.000 0.917 127 K HN 0.427 8.555 8.250 -0.203 0.000 0.478 128 R N 7.383 127.827 120.500 -0.094 0.000 2.091 128 R HA -0.389 3.894 4.340 -0.096 0.000 0.238 128 R C 1.537 177.863 176.300 0.043 0.000 1.136 128 R CA 3.811 59.776 56.100 -0.225 0.000 0.959 128 R CB -0.417 29.417 30.300 -0.776 0.000 0.856 128 R HN 0.661 8.827 8.270 -0.172 0.000 0.437 129 S N -2.884 112.849 115.700 0.055 0.000 2.399 129 S HA -0.070 4.618 4.470 0.086 -0.166 0.231 129 S C 1.916 176.647 174.600 0.217 0.000 1.022 129 S CA 2.447 60.718 58.200 0.118 0.000 0.983 129 S CB -1.278 61.986 63.200 0.107 0.000 0.803 129 S HN 0.330 8.651 8.310 0.018 0.000 0.480 130 Y N 4.340 124.722 120.300 0.137 0.000 2.243 130 Y HA -0.294 4.357 4.550 0.168 0.000 0.293 130 Y C 1.077 177.061 175.900 0.139 0.000 1.124 130 Y CA 1.657 59.853 58.100 0.160 0.000 1.159 130 Y CB 0.253 38.816 38.460 0.172 0.000 1.008 130 Y HN -0.889 7.577 8.280 0.338 0.017 0.527 131 F N 1.227 121.206 119.950 0.048 0.000 2.091 131 F HA -0.571 3.925 4.527 -0.051 0.000 0.299 131 F C 1.375 177.161 175.800 -0.022 0.000 1.103 131 F CA 4.543 62.558 58.000 0.026 0.000 1.228 131 F CB 0.088 39.238 39.000 0.250 0.000 0.984 131 F HN 0.126 8.671 8.300 0.408 0.000 0.477 132 E N -2.552 117.773 120.200 0.208 0.000 2.153 132 E HA -0.449 3.986 4.350 0.142 0.000 0.194 132 E C 1.937 178.508 176.600 -0.049 0.000 0.988 132 E CA 2.810 59.273 56.400 0.106 0.000 0.811 132 E CB -0.399 29.381 29.700 0.132 0.000 0.746 132 E HN -0.286 8.246 8.360 0.287 0.000 0.466 133 E N -0.359 119.785 120.200 -0.094 0.000 2.072 133 E HA -0.214 4.093 4.350 -0.073 0.000 0.191 133 E C 2.084 178.533 176.600 -0.252 0.000 0.985 133 E CA 2.568 58.887 56.400 -0.136 0.000 0.801 133 E CB 0.159 29.809 29.700 -0.083 0.000 0.750 133 E HN -0.808 7.410 8.360 -0.061 0.106 0.452 134 I N -6.732 113.572 120.570 -0.444 0.000 2.716 134 I HA -0.105 3.866 4.170 -0.332 0.000 0.259 134 I C 0.149 176.049 176.117 -0.363 0.000 1.172 134 I CA 2.218 63.259 61.300 -0.430 0.000 1.478 134 I CB 1.132 38.793 38.000 -0.564 0.000 1.104 134 I HN -0.359 7.533 8.210 -0.529 0.000 0.439 135 L N -0.635 120.324 121.223 -0.439 0.000 2.678 135 L HA 0.615 4.781 4.340 -0.290 0.000 0.250 135 L C -1.453 175.285 176.870 -0.221 0.000 1.455 135 L CA -2.855 51.750 54.840 -0.391 0.000 0.823 135 L CB 0.731 42.402 42.059 -0.646 0.000 1.107 135 L HN -0.512 7.431 8.230 -0.480 0.000 0.514 136 P HA -0.055 4.439 4.420 -0.031 -0.092 0.222 136 P C 0.250 177.534 177.300 -0.027 0.000 1.147 136 P CA 1.409 64.477 63.100 -0.054 0.000 0.790 136 P CB 0.274 31.946 31.700 -0.046 0.000 0.780 137 R N -3.142 117.329 120.500 -0.049 0.000 2.299 137 R HA 0.042 4.375 4.340 -0.012 0.000 0.197 137 R C -0.175 176.111 176.300 -0.024 0.000 0.971 137 R CA 0.041 56.122 56.100 -0.031 0.000 1.030 137 R CB -0.201 30.071 30.300 -0.047 0.000 0.932 137 R HN -0.044 8.135 8.270 -0.077 0.044 0.477 138 V N -0.174 119.734 119.914 -0.010 0.000 2.509 138 V HA -0.042 4.063 4.120 -0.024 0.000 0.284 138 V C -1.102 175.073 176.094 0.136 0.000 1.047 138 V CA -1.038 61.287 62.300 0.042 0.000 0.952 138 V CB 0.866 32.747 31.823 0.096 0.000 0.988 138 V HN -0.695 7.422 8.190 -0.023 0.059 0.469 139 D N 4.721 125.197 120.400 0.125 0.000 2.346 139 D HA -0.032 4.691 4.640 0.138 0.000 0.260 139 D C 0.508 176.928 176.300 0.200 0.000 1.252 139 D CA 0.313 54.402 54.000 0.149 0.000 0.895 139 D CB 0.643 41.522 40.800 0.132 0.000 1.097 139 D HN 0.417 8.842 8.370 0.091 0.000 0.489 140 S N 6.655 122.493 115.700 0.231 0.000 2.428 140 S HA -0.242 4.390 4.470 0.270 0.000 0.230 140 S C 1.633 176.378 174.600 0.242 0.000 1.014 140 S CA 2.618 60.981 58.200 0.273 0.000 0.957 140 S CB 0.175 63.565 63.200 0.316 0.000 0.784 140 S HN 0.087 8.522 8.310 0.209 0.000 0.499 141 S N 4.365 120.163 115.700 0.163 0.000 2.368 141 S HA -0.273 4.284 4.470 0.146 0.000 0.225 141 S C 2.098 176.770 174.600 0.120 0.000 1.030 141 S CA 3.782 62.061 58.200 0.132 0.000 0.999 141 S CB -0.936 62.314 63.200 0.083 0.000 0.844 141 S HN -0.292 8.219 8.310 0.143 -0.115 0.459 142 E N 1.578 121.844 120.200 0.110 0.000 2.085 142 E HA -0.363 3.989 4.350 0.004 0.000 0.194 142 E C 2.135 178.769 176.600 0.056 0.000 0.994 142 E CA 3.230 59.674 56.400 0.074 0.000 0.801 142 E CB -0.133 29.676 29.700 0.183 0.000 0.743 142 E HN -0.572 8.352 8.360 0.125 -0.488 0.453 143 M N -1.543 118.110 119.600 0.090 0.000 2.065 143 M HA -0.349 4.111 4.480 -0.032 0.000 0.259 143 M C 2.372 178.599 176.300 -0.121 0.000 1.069 143 M CA 2.852 58.085 55.300 -0.112 0.000 1.110 143 M CB -0.394 31.952 32.600 -0.423 0.000 1.328 143 M HN -0.714 7.627 8.290 0.113 0.017 0.405 144 Y N -2.649 117.703 120.300 0.086 0.000 2.337 144 Y HA -0.211 4.510 4.550 0.284 0.000 0.293 144 Y C 2.516 178.447 175.900 0.052 0.000 1.123 144 Y CA 3.077 61.253 58.100 0.127 0.000 1.201 144 Y CB -0.234 38.245 38.460 0.032 0.000 1.011 144 Y HN -0.215 8.242 8.280 0.294 0.000 0.545 145 D N -2.064 118.399 120.400 0.105 0.000 2.194 145 D HA -0.044 4.623 4.640 0.045 0.000 0.204 145 D C 0.635 176.890 176.300 -0.074 0.000 0.964 145 D CA 2.644 56.656 54.000 0.019 0.000 0.846 145 D CB 0.345 41.144 40.800 -0.001 0.000 0.962 145 D HN -0.239 8.198 8.370 0.111 0.000 0.490 146 R N -2.464 117.918 120.500 -0.197 0.000 2.342 146 R HA 0.106 4.283 4.340 -0.271 0.000 0.179 146 R C 1.625 177.692 176.300 -0.388 0.000 0.989 146 R CA 1.747 57.608 56.100 -0.398 0.000 1.125 146 R CB 1.960 31.803 30.300 -0.761 0.000 1.211 146 R HN -0.206 7.955 8.270 -0.182 0.000 0.568 147 Y N -1.104 119.125 120.300 -0.118 0.000 2.314 147 Y HA -0.128 4.352 4.550 -0.118 0.000 0.294 147 Y C 2.497 178.254 175.900 -0.239 0.000 1.119 147 Y CA 2.624 60.608 58.100 -0.194 0.000 1.179 147 Y CB 0.214 38.500 38.460 -0.290 0.000 1.025 147 Y HN -0.630 7.441 8.280 -0.348 0.000 0.541 148 F N -1.390 118.515 119.950 -0.076 0.000 2.102 148 F HA -0.118 4.347 4.527 -0.104 0.000 0.298 148 F C -0.449 175.324 175.800 -0.045 0.000 1.105 148 F CA 4.950 62.870 58.000 -0.134 0.000 1.239 148 F CB -3.265 35.538 39.000 -0.329 0.000 0.991 148 F HN 0.294 8.500 8.300 -0.157 0.000 0.474 149 P HA -0.279 4.198 4.420 0.095 0.000 0.216 149 P C 1.341 178.684 177.300 0.072 0.000 1.150 149 P CA 3.007 66.155 63.100 0.080 0.000 0.837 149 P CB -0.237 31.485 31.700 0.036 0.000 0.786 150 R N -1.516 119.020 120.500 0.059 0.000 2.073 150 R HA -0.354 4.015 4.340 0.048 0.000 0.234 150 R C 1.865 178.240 176.300 0.125 0.000 1.134 150 R CA 3.254 59.399 56.100 0.075 0.000 0.952 150 R CB -0.161 30.195 30.300 0.094 0.000 0.850 150 R HN -0.575 7.718 8.270 0.039 0.000 0.433 151 A N -1.743 121.175 122.820 0.164 0.000 1.883 151 A HA -0.266 4.247 4.320 0.323 0.000 0.217 151 A C 2.005 179.715 177.584 0.209 0.000 1.186 151 A CA 2.885 55.062 52.037 0.233 0.000 0.624 151 A CB -0.728 18.390 19.000 0.197 0.000 0.822 151 A HN -0.138 8.097 8.150 0.140 0.000 0.444 152 N N -2.523 116.279 118.700 0.170 0.000 2.061 152 N HA -0.426 4.412 4.740 0.163 0.000 0.193 152 N C 1.965 177.540 175.510 0.108 0.000 1.030 152 N CA 3.349 56.487 53.050 0.146 0.000 0.856 152 N CB 0.124 38.689 38.487 0.130 0.000 1.023 152 N HN -0.249 8.231 8.380 0.166 0.000 0.424 153 S N -0.287 115.459 115.700 0.076 0.000 2.355 153 S HA -0.188 4.304 4.470 0.037 0.000 0.222 153 S C 2.595 177.185 174.600 -0.016 0.000 1.031 153 S CA 3.025 61.244 58.200 0.031 0.000 0.993 153 S CB -0.231 62.976 63.200 0.013 0.000 0.859 153 S HN -0.523 7.836 8.310 0.081 0.000 0.453 154 M N 2.471 122.039 119.600 -0.053 0.000 2.229 154 M HA -0.194 4.128 4.480 -0.263 0.000 0.264 154 M C 1.600 177.779 176.300 -0.202 0.000 1.063 154 M CA 1.800 56.952 55.300 -0.248 0.000 1.114 154 M CB -0.728 31.534 32.600 -0.564 0.000 1.387 154 M HN -0.342 7.946 8.290 -0.002 0.000 0.420 155 L N -6.245 115.005 121.223 0.045 0.000 2.465 155 L HA -0.133 4.302 4.340 0.158 0.000 0.224 155 L C -0.268 176.644 176.870 0.069 0.000 1.145 155 L CA 0.452 55.381 54.840 0.147 0.000 0.834 155 L CB 0.315 42.558 42.059 0.306 0.000 0.944 155 L HN -0.468 7.826 8.230 0.107 0.000 0.451 156 R N -6.530 113.987 120.500 0.029 0.000 3.418 156 R HA -0.425 3.920 4.340 0.009 0.000 0.274 156 R C -0.382 175.939 176.300 0.035 0.000 1.108 156 R CA 0.208 56.315 56.100 0.013 0.000 0.741 156 R CB -3.583 26.703 30.300 -0.023 0.000 1.223 156 R HN -0.677 7.434 8.270 0.019 0.170 0.434 157 V N -1.197 118.756 119.914 0.065 0.000 2.694 157 V HA -0.372 3.929 4.120 0.049 -0.151 0.306 157 V C -0.116 175.958 176.094 -0.034 0.000 1.054 157 V CA 1.809 64.129 62.300 0.033 0.000 1.161 157 V CB 0.049 31.901 31.823 0.049 0.000 0.916 157 V HN -0.699 7.541 8.190 0.084 0.000 0.490 158 N N 6.648 125.286 118.700 -0.103 0.000 2.902 158 N HA 0.283 4.982 4.740 -0.070 0.000 0.268 158 N C -2.331 173.041 175.510 -0.230 0.000 1.450 158 N CA -0.808 52.194 53.050 -0.080 0.000 0.819 158 N CB 3.359 41.908 38.487 0.104 0.000 1.540 158 N HN 0.493 8.829 8.380 -0.073 0.000 0.545 159 H N -2.596 116.635 119.070 0.267 0.000 2.667 159 H HA 0.406 5.032 4.556 0.115 0.000 0.353 159 H C -1.133 174.119 175.328 -0.128 0.000 1.072 159 H CA -1.037 55.063 56.048 0.087 0.000 1.214 159 H CB 2.893 32.644 29.762 -0.018 0.000 1.600 159 H HN 0.195 8.625 8.280 0.251 0.000 0.527 160 I N 2.116 122.323 120.570 -0.605 0.000 2.754 160 I HA -0.090 3.536 4.170 -0.907 0.000 0.285 160 I C -0.709 175.176 176.117 -0.387 0.000 1.166 160 I CA -0.049 60.716 61.300 -0.890 0.000 1.417 160 I CB 1.259 38.521 38.000 -1.229 0.000 1.382 160 I HN -0.002 7.836 8.210 -0.620 0.000 0.588 161 D N 6.170 126.472 120.400 -0.163 0.000 2.346 161 D HA -0.038 4.543 4.640 -0.098 0.000 0.260 161 D C 0.792 177.070 176.300 -0.037 0.000 1.252 161 D CA 0.666 54.636 54.000 -0.049 0.000 0.895 161 D CB 0.576 41.413 40.800 0.061 0.000 1.097 161 D HN 0.075 8.375 8.370 -0.117 0.000 0.489 162 T N 4.079 118.506 114.554 -0.211 0.000 2.951 162 T HA -0.304 3.822 4.350 -0.373 0.000 0.268 162 T C 2.748 177.483 174.700 0.057 0.000 1.073 162 T CA 2.084 64.020 62.100 -0.273 0.000 1.134 162 T CB 0.180 68.726 68.868 -0.537 0.000 0.884 162 T HN 0.283 8.387 8.240 -0.226 0.000 0.479 163 K N 2.921 123.368 120.400 0.078 0.000 2.057 163 K HA -0.103 3.879 4.320 -0.563 0.000 0.206 163 K C 2.145 178.852 176.600 0.177 0.000 1.050 163 K CA 0.982 57.340 56.287 0.119 0.000 0.935 163 K CB -0.721 31.835 32.500 0.093 0.000 0.715 163 K HN -0.078 nan 8.250 nan 0.000 0.439 164 W N 1.125 122.459 121.300 0.057 0.000 2.358 164 W HA -0.432 4.275 4.660 0.077 0.000 0.303 164 W C 1.040 177.641 176.519 0.137 0.000 1.208 164 W CA 2.732 60.130 57.345 0.089 0.000 1.274 164 W CB 0.313 29.826 29.460 0.089 0.000 1.138 164 W HN -0.344 8.647 8.180 0.357 -0.597 0.515 165 F N -0.952 119.023 119.950 0.042 0.000 2.087 165 F HA -0.562 3.822 4.527 -0.238 0.000 0.299 165 F C 1.509 177.223 175.800 -0.143 0.000 1.100 165 F CA 3.756 61.683 58.000 -0.123 0.000 1.226 165 F CB 0.125 39.098 39.000 -0.045 0.000 0.983 165 F HN -0.296 8.298 8.300 0.489 0.000 0.479 166 E N -2.790 117.383 120.200 -0.045 0.000 2.153 166 E HA -0.229 4.008 4.350 -0.188 0.000 0.194 166 E C 0.784 177.243 176.600 -0.234 0.000 0.988 166 E CA 2.167 58.496 56.400 -0.118 0.000 0.811 166 E CB -0.183 29.554 29.700 0.062 0.000 0.746 166 E HN -0.585 7.755 8.360 0.147 0.109 0.466 167 D N -3.655 116.601 120.400 -0.240 0.000 2.301 167 D HA 0.103 4.649 4.640 -0.158 0.000 0.206 167 D C 0.315 176.438 176.300 -0.295 0.000 0.979 167 D CA 1.269 55.144 54.000 -0.208 0.000 0.874 167 D CB 1.188 41.915 40.800 -0.122 0.000 0.968 167 D HN -0.579 7.605 8.370 -0.243 0.040 0.510 168 T N 1.030 115.295 114.554 -0.482 0.000 2.856 168 T HA 0.092 4.261 4.350 -0.302 0.000 0.292 168 T C 1.013 175.535 174.700 -0.297 0.000 0.980 168 T CA -1.040 60.799 62.100 -0.436 0.000 1.091 168 T CB 1.116 69.481 68.868 -0.839 0.000 0.936 168 T HN -0.719 7.163 8.240 -0.597 0.000 0.503 169 E N 8.858 128.913 120.200 -0.242 0.000 2.338 169 E HA -0.133 4.064 4.350 -0.256 0.000 0.197 169 E C 1.139 177.530 176.600 -0.348 0.000 1.007 169 E CA 2.290 58.508 56.400 -0.304 0.000 0.849 169 E CB -0.587 28.912 29.700 -0.334 0.000 0.774 169 E HN 0.796 9.038 8.360 -0.197 0.000 0.506 170 W N -1.981 119.207 121.300 -0.186 0.000 2.699 170 W HA -0.102 4.855 4.660 -0.130 -0.375 0.249 170 W C 1.199 177.503 176.519 -0.357 0.000 1.280 170 W CA 1.859 59.070 57.345 -0.225 0.000 1.345 170 W CB 0.254 29.581 29.460 -0.222 0.000 1.128 170 W HN -0.629 7.456 8.180 -0.096 0.037 0.642 171 Y N -3.365 116.925 120.300 -0.017 0.000 2.612 171 Y HA 0.164 4.636 4.550 -0.131 0.000 0.250 171 Y C 0.185 175.825 175.900 -0.433 0.000 1.175 171 Y CA -0.201 57.738 58.100 -0.269 0.000 1.205 171 Y CB 0.070 38.217 38.460 -0.520 0.000 1.201 171 Y HN -0.543 7.551 8.280 -0.114 0.117 0.532 172 K N 2.921 123.230 120.400 -0.152 0.000 2.074 172 K HA -0.465 3.733 4.320 -0.203 0.000 0.209 172 K C 1.085 177.621 176.600 -0.106 0.000 1.048 172 K CA 4.091 60.286 56.287 -0.153 0.000 0.926 172 K CB -0.370 32.050 32.500 -0.133 0.000 0.713 172 K HN -0.507 7.567 8.250 -0.121 0.104 0.444 173 F N -5.290 114.607 119.950 -0.087 0.000 2.161 173 F HA -0.317 4.149 4.527 -0.101 0.000 0.300 173 F C 1.227 177.034 175.800 0.013 0.000 1.089 173 F CA 2.288 60.247 58.000 -0.068 0.000 1.282 173 F CB -1.503 37.440 39.000 -0.095 0.000 1.010 173 F HN -0.332 8.118 8.300 0.271 0.012 0.485 174 A N 0.757 123.049 122.820 -0.879 0.000 1.897 174 A HA -0.329 3.765 4.320 -0.377 0.000 0.215 174 A C 1.866 179.375 177.584 -0.125 0.000 1.181 174 A CA 2.693 54.439 52.037 -0.485 0.000 0.620 174 A CB -0.511 18.262 19.000 -0.377 0.000 0.821 174 A HN -0.553 6.751 8.150 -1.226 0.110 0.443 175 R N -1.616 118.797 120.500 -0.145 0.000 2.096 175 R HA -0.323 4.020 4.340 0.005 0.000 0.235 175 R C 2.622 178.906 176.300 -0.027 0.000 1.127 175 R CA 3.435 59.494 56.100 -0.068 0.000 0.968 175 R CB -0.070 30.142 30.300 -0.146 0.000 0.861 175 R HN -0.587 7.532 8.270 -0.251 0.000 0.440 176 V N 0.130 120.025 119.914 -0.031 0.000 2.295 176 V HA -0.457 3.674 4.120 0.018 0.000 0.246 176 V C 1.455 177.578 176.094 0.049 0.000 1.049 176 V CA 4.532 66.840 62.300 0.013 0.000 1.024 176 V CB -0.212 31.617 31.823 0.011 0.000 0.648 176 V HN -0.002 8.152 8.190 -0.061 0.000 0.447 177 S N -1.001 114.741 115.700 0.070 0.000 2.382 177 S HA -0.267 4.310 4.470 0.179 0.000 0.228 177 S C 1.762 176.425 174.600 0.105 0.000 1.027 177 S CA 3.454 61.744 58.200 0.150 0.000 0.991 177 S CB -0.481 62.873 63.200 0.256 0.000 0.823 177 S HN -0.699 7.638 8.310 0.045 0.000 0.469 178 R N 1.908 122.439 120.500 0.051 0.000 2.081 178 R HA -0.409 3.934 4.340 0.004 0.000 0.235 178 R C 2.085 178.399 176.300 0.022 0.000 1.131 178 R CA 3.809 59.918 56.100 0.016 0.000 0.960 178 R CB -0.102 30.197 30.300 -0.002 0.000 0.856 178 R HN -0.183 8.110 8.270 0.037 0.000 0.436 179 E N -1.328 118.892 120.200 0.033 0.000 2.107 179 E HA -0.273 4.094 4.350 0.028 0.000 0.191 179 E C 2.573 179.201 176.600 0.045 0.000 0.982 179 E CA 2.582 59.004 56.400 0.036 0.000 0.809 179 E CB -0.791 28.934 29.700 0.042 0.000 0.756 179 E HN -0.311 8.069 8.360 0.033 0.000 0.459 180 Q N -0.898 118.937 119.800 0.059 0.000 2.046 180 Q HA -0.275 4.244 4.340 0.062 -0.142 0.200 180 Q C 2.567 178.591 176.000 0.041 0.000 0.975 180 Q CA 2.657 58.496 55.803 0.061 0.000 0.836 180 Q CB 0.023 28.807 28.738 0.078 0.000 0.896 180 Q HN -0.372 7.936 8.270 0.064 0.000 0.428 181 A N -0.871 121.971 122.820 0.036 0.000 1.908 181 A HA -0.389 3.919 4.320 -0.021 0.000 0.218 181 A C 1.941 179.516 177.584 -0.015 0.000 1.181 181 A CA 2.829 54.863 52.037 -0.005 0.000 0.627 181 A CB -0.803 18.190 19.000 -0.012 0.000 0.818 181 A HN 0.166 8.350 8.150 0.057 0.000 0.445 182 G N -2.081 106.717 108.800 -0.003 0.000 2.446 182 G HA2 -0.396 3.839 3.960 -0.016 0.000 0.217 182 G HA3 -0.396 3.564 3.960 0.000 0.000 0.217 182 G C 1.770 176.670 174.900 0.000 0.000 1.168 182 G CA 1.855 46.952 45.100 -0.006 0.000 0.771 182 G HN -0.145 8.132 8.290 0.006 0.017 0.551 183 K N 0.717 121.125 120.400 0.013 0.000 2.281 183 K HA -0.308 4.023 4.320 0.018 0.000 0.203 183 K C 0.407 177.011 176.600 0.007 0.000 1.046 183 K CA 2.120 58.418 56.287 0.019 0.000 0.938 183 K CB -0.127 32.396 32.500 0.038 0.000 0.737 183 K HN -0.511 7.728 8.250 0.019 0.022 0.458 184 A N -3.961 118.855 122.820 -0.007 0.000 2.307 184 A HA 0.063 4.374 4.320 -0.015 0.000 0.218 184 A C 0.440 178.006 177.584 -0.030 0.000 1.228 184 A CA -0.064 51.960 52.037 -0.022 0.000 0.857 184 A CB 0.163 19.139 19.000 -0.040 0.000 0.897 184 A HN -0.642 7.314 8.150 -0.007 0.189 0.495 185 G N -1.855 106.931 108.800 -0.023 0.000 2.168 185 G HA2 -0.400 3.575 3.960 -0.020 0.000 0.263 185 G HA3 -0.400 3.545 3.960 -0.025 0.000 0.263 185 G C -0.555 174.322 174.900 -0.038 0.000 0.977 185 G CA 0.477 45.561 45.100 -0.026 0.000 0.659 185 G HN 0.186 8.143 8.290 -0.016 0.323 0.533 186 L N -0.035 121.158 121.223 -0.051 0.000 2.379 186 L HA 0.208 4.507 4.340 -0.068 0.000 0.269 186 L C -0.489 176.343 176.870 -0.064 0.000 1.084 186 L CA -0.652 54.145 54.840 -0.070 0.000 0.802 186 L CB 1.561 43.557 42.059 -0.106 0.000 1.175 186 L HN -0.611 7.538 8.230 -0.048 0.053 0.448 187 G N -1.813 106.945 108.800 -0.070 0.000 2.735 187 G HA2 0.423 4.344 3.960 -0.065 0.000 0.301 187 G HA3 0.423 4.345 3.960 -0.062 0.000 0.301 187 G C -1.897 172.943 174.900 -0.099 0.000 1.279 187 G CA -1.264 43.793 45.100 -0.071 0.000 1.019 187 G HN 0.164 8.411 8.290 -0.072 0.000 0.497 188 T N -3.753 110.726 114.554 -0.126 0.000 2.858 188 T HA 0.831 5.206 4.350 -0.178 -0.131 0.285 188 T C -1.025 173.546 174.700 -0.214 0.000 1.052 188 T CA -2.645 59.344 62.100 -0.185 0.000 1.009 188 T CB 3.292 72.026 68.868 -0.222 0.000 1.241 188 T HN -0.229 7.939 8.240 -0.121 0.000 0.542 189 V N -5.126 114.622 119.914 -0.277 0.000 3.012 189 V HA 0.464 4.459 4.120 -0.209 0.000 0.307 189 V C -1.830 174.054 176.094 -0.351 0.000 1.166 189 V CA -1.733 60.430 62.300 -0.228 0.000 0.974 189 V CB 3.573 35.353 31.823 -0.070 0.000 1.040 189 V HN 0.498 8.524 8.190 -0.274 0.000 0.428 190 F N 2.181 122.045 119.950 -0.143 0.000 2.429 190 F HA 0.289 4.832 4.527 -0.263 -0.175 0.348 190 F C 0.751 176.523 175.800 -0.047 0.000 1.109 190 F CA 0.246 58.136 58.000 -0.183 0.000 1.232 190 F CB 1.052 39.916 39.000 -0.227 0.000 1.157 190 F HN 0.100 8.356 8.300 -0.074 0.000 0.564 191 V N 5.138 125.149 119.914 0.163 0.000 2.347 191 V HA 0.350 4.581 4.120 0.185 0.000 0.280 191 V C -2.089 174.132 176.094 0.212 0.000 1.021 191 V CA -3.012 59.397 62.300 0.182 0.000 0.847 191 V CB 1.165 33.092 31.823 0.174 0.000 0.990 191 V HN 0.206 8.479 8.190 0.139 0.000 0.444 192 P HA 0.067 4.633 4.420 0.078 -0.099 0.271 192 P C -1.625 175.773 177.300 0.163 0.000 1.233 192 P CA -0.393 62.761 63.100 0.090 0.000 0.789 192 P CB 0.773 32.453 31.700 -0.034 0.000 0.951 193 N N -1.169 117.641 118.700 0.183 0.000 2.591 193 N HA 0.576 5.635 4.740 0.187 -0.208 0.263 193 N C -0.154 175.411 175.510 0.091 0.000 1.308 193 N CA -0.650 52.500 53.050 0.167 0.000 0.837 193 N CB 4.281 42.851 38.487 0.139 0.000 1.548 193 N HN -0.069 8.391 8.380 0.133 0.000 0.493 194 V N -2.068 117.934 119.914 0.147 0.000 3.608 194 V HA 0.302 4.452 4.120 0.049 0.000 0.269 194 V C -0.368 175.710 176.094 -0.028 0.000 1.245 194 V CA -0.581 61.765 62.300 0.077 0.000 1.138 194 V CB -0.462 31.438 31.823 0.128 0.000 0.841 194 V HN 0.196 8.526 8.190 0.233 0.000 0.451 195 Y N 4.916 125.096 120.300 -0.199 0.000 2.465 195 Y HA -0.178 4.400 4.550 -0.207 -0.152 0.331 195 Y C 0.527 176.164 175.900 -0.438 0.000 1.102 195 Y CA 0.030 57.953 58.100 -0.294 0.000 1.358 195 Y CB 0.004 38.282 38.460 -0.304 0.000 1.213 195 Y HN -0.249 8.452 8.280 0.052 -0.391 0.525 196 D N 9.398 129.572 120.400 -0.378 0.000 2.363 196 D HA -0.074 4.228 4.640 -0.563 0.000 0.263 196 D C 0.258 176.574 176.300 0.027 0.000 1.258 196 D CA -0.216 53.688 54.000 -0.161 0.000 0.907 196 D CB -0.117 40.591 40.800 -0.154 0.000 1.107 196 D HN 0.134 nan 8.370 nan 0.000 0.495 197 F N 4.784 124.822 119.950 0.147 0.000 2.407 197 F HA -0.296 4.338 4.527 0.178 0.000 0.299 197 F C 1.438 177.191 175.800 -0.078 0.000 1.097 197 F CA 1.756 59.810 58.000 0.089 0.000 1.422 197 F CB 0.345 39.382 39.000 0.060 0.000 1.067 197 F HN 0.173 8.879 8.300 0.125 -0.330 0.539 198 G N -1.170 107.693 108.800 0.105 0.000 2.402 198 G HA2 -0.386 3.516 3.960 -0.097 0.000 0.216 198 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.216 198 G C 0.445 175.322 174.900 -0.038 0.000 1.162 198 G CA 2.022 47.110 45.100 -0.020 0.000 0.777 198 G HN -0.218 8.381 8.290 0.136 -0.228 0.539 199 Y N 3.609 123.869 120.300 -0.067 0.000 2.128 199 Y HA -0.429 4.075 4.550 -0.076 0.000 0.284 199 Y C 1.370 177.252 175.900 -0.029 0.000 1.154 199 Y CA 3.677 61.737 58.100 -0.066 0.000 1.149 199 Y CB 0.229 38.618 38.460 -0.118 0.000 0.976 199 Y HN -0.508 8.414 8.280 0.159 -0.547 0.505 200 M N -0.919 118.786 119.600 0.175 0.000 2.159 200 M HA -0.472 4.348 4.480 0.184 -0.229 0.263 200 M C 2.160 178.340 176.300 -0.199 0.000 1.063 200 M CA 3.755 59.117 55.300 0.104 0.000 1.110 200 M CB -0.078 32.676 32.600 0.256 0.000 1.374 200 M HN -0.458 7.900 8.290 0.258 0.087 0.411 201 Q N -1.657 117.869 119.800 -0.457 0.000 2.061 201 Q HA -0.424 3.543 4.340 -0.620 0.000 0.204 201 Q C 2.484 178.344 176.000 -0.234 0.000 0.984 201 Q CA 3.496 58.977 55.803 -0.536 0.000 0.846 201 Q CB -0.367 27.996 28.738 -0.625 0.000 0.902 201 Q HN -0.425 7.597 8.270 -0.413 0.000 0.421 202 R N -1.706 118.627 120.500 -0.277 0.000 2.096 202 R HA -0.330 3.892 4.340 -0.196 0.000 0.235 202 R C 2.586 178.711 176.300 -0.291 0.000 1.127 202 R CA 3.603 59.533 56.100 -0.283 0.000 0.968 202 R CB -0.249 29.819 30.300 -0.386 0.000 0.861 202 R HN -0.507 7.495 8.270 -0.304 0.086 0.440 203 E N 0.176 120.167 120.200 -0.348 0.000 2.051 203 E HA -0.245 3.934 4.350 -0.285 0.000 0.192 203 E C 2.750 179.249 176.600 -0.167 0.000 0.991 203 E CA 2.874 59.113 56.400 -0.269 0.000 0.799 203 E CB -0.183 29.384 29.700 -0.222 0.000 0.748 203 E HN -0.167 7.945 8.360 -0.391 0.013 0.449 204 A N -1.261 121.504 122.820 -0.092 0.000 1.969 204 A HA -0.223 4.091 4.320 -0.009 0.000 0.218 204 A C 1.123 178.784 177.584 0.129 0.000 1.169 204 A CA 2.327 54.405 52.037 0.069 0.000 0.635 204 A CB -0.479 18.742 19.000 0.368 0.000 0.810 204 A HN -0.422 7.678 8.150 -0.084 0.000 0.445 205 A N -4.289 118.570 122.820 0.065 0.000 2.206 205 A HA -0.053 4.322 4.320 0.091 0.000 0.211 205 A C 0.374 177.965 177.584 0.011 0.000 1.158 205 A CA 0.412 52.479 52.037 0.051 0.000 0.761 205 A CB 0.152 19.165 19.000 0.021 0.000 0.801 205 A HN -0.343 7.799 8.150 0.021 0.022 0.473 206 G N -2.054 106.733 108.800 -0.022 0.000 2.136 206 G HA2 -0.344 3.594 3.960 -0.036 0.000 0.242 206 G HA3 -0.344 3.612 3.960 -0.006 0.000 0.242 206 G C 0.460 175.325 174.900 -0.059 0.000 0.989 206 G CA 0.576 45.657 45.100 -0.031 0.000 0.682 206 G HN -0.448 7.634 8.290 -0.037 0.186 0.522 207 E N -1.301 118.840 120.200 -0.099 0.000 2.415 207 E HA 0.009 4.315 4.350 -0.074 0.000 0.197 207 E C 0.153 176.669 176.600 -0.141 0.000 1.007 207 E CA 0.461 56.798 56.400 -0.105 0.000 0.890 207 E CB 1.096 30.732 29.700 -0.106 0.000 0.891 207 E HN -0.098 8.191 8.360 -0.120 0.000 0.496 208 V N -5.219 114.568 119.914 -0.211 0.000 3.114 208 V HA 0.529 4.547 4.120 -0.171 0.000 0.308 208 V C -2.847 173.115 176.094 -0.219 0.000 1.168 208 V CA -3.974 58.179 62.300 -0.246 0.000 1.015 208 V CB 1.126 32.672 31.823 -0.463 0.000 1.050 208 V HN -0.785 7.271 8.190 -0.222 0.000 0.433 209 P HA 0.021 4.370 4.420 -0.118 0.000 0.265 209 P C -1.120 176.127 177.300 -0.089 0.000 1.193 209 P CA 0.326 63.304 63.100 -0.204 0.000 0.765 209 P CB 0.394 31.841 31.700 -0.422 0.000 0.823 210 K N 1.556 121.946 120.400 -0.017 0.000 2.237 210 K HA -0.160 4.327 4.320 0.030 -0.149 0.270 210 K C -0.878 175.820 176.600 0.163 0.000 1.015 210 K CA 0.643 56.947 56.287 0.029 0.000 0.949 210 K CB 0.569 33.029 32.500 -0.067 0.000 0.976 210 K HN -0.297 7.938 8.250 -0.025 0.000 0.472 211 S N 4.571 120.397 115.700 0.211 0.000 4.098 211 S HA 0.168 4.844 4.470 0.201 -0.085 0.193 211 S C 1.012 175.673 174.600 0.101 0.000 1.049 211 S CA 1.391 59.730 58.200 0.233 0.000 1.034 211 S CB 0.611 64.025 63.200 0.357 0.000 1.380 211 S HN 0.721 9.542 8.310 0.199 -0.392 0.629 212 A N 5.007 127.876 122.820 0.081 0.000 1.986 212 A HA -0.095 4.120 4.320 -0.175 0.000 0.220 212 A C 1.442 178.896 177.584 -0.216 0.000 1.171 212 A CA 2.863 54.785 52.037 -0.193 0.000 0.640 212 A CB 0.061 18.704 19.000 -0.596 0.000 0.811 212 A HN -0.132 8.194 8.150 0.293 0.000 0.451 213 L N -5.385 115.653 121.223 -0.307 0.000 2.653 213 L HA 0.051 3.966 4.340 -0.708 0.000 0.232 213 L C -0.371 176.287 176.870 -0.353 0.000 1.169 213 L CA -0.048 54.383 54.840 -0.683 0.000 0.951 213 L CB -0.749 40.519 42.059 -1.319 0.000 1.181 213 L HN -0.428 7.941 8.230 -0.211 -0.266 0.460 214 A N -1.602 121.155 122.820 -0.105 0.000 2.663 214 A HA 0.411 4.762 4.320 0.051 0.000 0.273 214 A C -1.038 176.569 177.584 0.037 0.000 0.932 214 A CA -0.944 51.102 52.037 0.015 0.000 1.055 214 A CB 0.560 19.583 19.000 0.038 0.000 1.206 214 A HN -0.362 7.532 8.150 -0.092 0.201 0.485 215 T N -1.462 113.103 114.554 0.018 0.000 3.803 215 T HA -0.541 3.792 4.350 -0.028 0.000 0.376 215 T C -1.426 173.268 174.700 -0.010 0.000 0.761 215 T CA 0.882 62.982 62.100 -0.001 0.000 1.962 215 T CB -2.263 66.619 68.868 0.024 0.000 1.780 215 T HN -0.068 8.175 8.240 0.006 0.000 0.771 216 E N -0.560 119.627 120.200 -0.022 0.000 2.210 216 E HA 0.471 4.796 4.350 -0.041 0.000 0.266 216 E C -2.323 174.225 176.600 -0.087 0.000 0.883 216 E CA -0.880 55.501 56.400 -0.032 0.000 0.761 216 E CB 3.915 33.634 29.700 0.032 0.000 1.156 216 E HN -0.667 7.678 8.360 -0.025 0.000 0.412 217 V N 3.687 123.505 119.914 -0.160 0.000 4.033 217 V HA 0.162 4.420 4.120 -0.142 -0.223 0.166 217 V C -0.588 175.348 176.094 -0.264 0.000 1.446 217 V CA 1.745 63.940 62.300 -0.175 0.000 1.045 217 V CB 2.465 34.209 31.823 -0.131 0.000 1.088 217 V HN 0.006 8.075 8.190 -0.202 0.000 0.585 218 I N 0.349 120.696 120.570 -0.372 0.000 2.928 218 I HA -0.159 4.038 4.170 -0.317 -0.218 0.266 218 I C -1.357 174.531 176.117 -0.381 0.000 1.234 218 I CA 1.436 62.482 61.300 -0.423 0.000 1.483 218 I CB 0.385 38.079 38.000 -0.509 0.000 1.097 218 I HN -0.723 7.244 8.210 -0.405 0.000 0.455 219 Y N -3.993 116.194 120.300 -0.188 0.000 2.658 219 Y HA 0.068 4.484 4.550 -0.223 0.000 0.276 219 Y C -1.006 174.595 175.900 -0.500 0.000 1.167 219 Y CA -2.654 55.308 58.100 -0.230 0.000 1.230 219 Y CB -0.747 37.657 38.460 -0.092 0.000 1.144 219 Y HN -0.406 7.572 8.280 -0.455 0.029 0.529 220 G N -0.331 108.116 108.800 -0.589 0.000 2.629 220 G HA2 -0.333 3.188 3.960 -1.150 0.000 0.686 220 G HA3 -0.333 2.166 3.960 -2.436 0.000 0.686 220 G C -1.886 172.623 174.900 -0.653 0.000 1.232 220 G CA -0.436 43.912 45.100 -1.254 0.000 0.803 220 G HN -0.664 7.192 8.290 -0.439 0.170 0.638 221 N N 1.436 119.827 118.700 -0.515 0.000 2.417 221 N HA 0.154 5.000 4.740 -0.030 -0.124 0.274 221 N C -0.304 175.247 175.510 0.068 0.000 0.987 221 N CA -0.585 52.407 53.050 -0.097 0.000 0.912 221 N CB 2.042 40.534 38.487 0.008 0.000 1.177 221 N HN 0.227 8.206 8.380 -0.669 0.000 0.490 222 N N 3.070 121.835 118.700 0.108 0.000 2.381 222 N HA -0.141 4.626 4.740 0.046 0.000 0.182 222 N C -0.261 174.856 175.510 -0.656 0.000 1.025 222 N CA 1.969 54.932 53.050 -0.144 0.000 0.888 222 N CB 0.772 39.141 38.487 -0.197 0.000 0.965 222 N HN 0.146 8.926 8.380 0.121 -0.328 0.438 223 H N -3.789 115.257 119.070 -0.041 0.000 3.008 223 H HA 0.116 4.483 4.556 -0.316 0.000 0.354 223 H C 0.200 175.187 175.328 -0.568 0.000 1.252 223 H CA -0.153 55.711 56.048 -0.308 0.000 1.117 223 H CB 3.488 33.089 29.762 -0.268 0.000 1.857 223 H HN -0.895 7.314 8.280 -0.046 0.043 0.547 224 G N 1.055 109.291 108.800 -0.940 0.000 2.498 224 G HA2 -0.419 2.694 3.960 -1.412 0.000 0.229 224 G HA3 -0.419 2.494 3.960 -1.745 0.000 0.229 224 G C -0.943 173.215 174.900 -1.238 0.000 1.156 224 G CA 0.929 45.185 45.100 -1.407 0.000 0.680 224 G HN 0.341 8.086 8.290 -0.909 0.000 0.512 225 K N 3.508 123.439 120.400 -0.782 0.000 2.312 225 K HA 0.008 4.074 4.320 -0.423 0.000 0.287 225 K C -0.379 176.066 176.600 -0.257 0.000 1.062 225 K CA -0.815 55.243 56.287 -0.382 0.000 0.934 225 K CB 0.203 32.666 32.500 -0.062 0.000 1.027 225 K HN -0.544 7.271 8.250 -0.580 0.087 0.478 226 Q N 8.139 127.820 119.800 -0.199 0.000 3.026 226 Q HA 0.107 4.358 4.340 -0.147 0.000 0.258 226 Q C -0.951 174.985 176.000 -0.106 0.000 1.388 226 Q CA -0.515 55.206 55.803 -0.137 0.000 1.000 226 Q CB -1.782 26.892 28.738 -0.106 0.000 1.634 226 Q HN -0.191 7.965 8.270 -0.190 0.000 0.571 227 S N 0.373 116.004 115.700 -0.115 0.000 2.606 227 S HA -0.023 4.350 4.470 -0.162 0.000 0.257 227 S C 1.007 175.529 174.600 -0.130 0.000 1.327 227 S CA -0.193 57.927 58.200 -0.133 0.000 0.984 227 S CB 1.208 64.340 63.200 -0.114 0.000 0.941 227 S HN -0.397 7.782 8.310 -0.117 0.061 0.576 228 L N -0.503 120.603 121.223 -0.196 0.000 2.201 228 L HA -0.090 4.187 4.340 -0.105 0.000 0.212 228 L C 1.913 178.736 176.870 -0.078 0.000 1.105 228 L CA 2.524 57.266 54.840 -0.163 0.000 0.775 228 L CB -0.318 41.548 42.059 -0.320 0.000 0.913 228 L HN 0.141 8.218 8.230 -0.255 0.000 0.440 229 D N -1.833 118.529 120.400 -0.063 0.000 2.221 229 D HA -0.310 4.315 4.640 -0.024 0.000 0.204 229 D C 1.160 177.442 176.300 -0.029 0.000 0.982 229 D CA 2.763 56.748 54.000 -0.025 0.000 0.857 229 D CB -1.109 39.700 40.800 0.015 0.000 0.934 229 D HN 0.366 8.667 8.370 -0.073 0.025 0.475 230 K N -2.599 117.775 120.400 -0.044 0.000 2.314 230 K HA -0.008 4.284 4.320 -0.047 0.000 0.198 230 K C 0.670 177.234 176.600 -0.061 0.000 1.045 230 K CA 1.738 57.992 56.287 -0.054 0.000 0.988 230 K CB 0.763 33.221 32.500 -0.070 0.000 0.783 230 K HN -0.345 7.847 8.250 -0.052 0.027 0.484 231 T N -3.643 110.877 114.554 -0.057 0.000 3.166 231 T HA 0.018 4.303 4.350 -0.109 0.000 0.182 231 T C 0.739 175.391 174.700 -0.081 0.000 0.810 231 T CA 0.673 62.720 62.100 -0.088 0.000 1.441 231 T CB 0.423 69.243 68.868 -0.080 0.000 2.201 231 T HN -0.887 7.210 8.240 -0.046 0.116 0.414 232 Y N 1.020 121.275 120.300 -0.076 0.000 2.165 232 Y HA -0.324 4.191 4.550 -0.058 0.000 0.286 232 Y C 2.335 178.187 175.900 -0.080 0.000 1.155 232 Y CA 4.244 62.300 58.100 -0.073 0.000 1.164 232 Y CB -0.146 38.264 38.460 -0.082 0.000 0.978 232 Y HN -0.068 8.298 8.280 0.142 0.000 0.513 233 L N -2.667 118.598 121.223 0.071 0.000 2.109 233 L HA -0.378 3.970 4.340 0.013 0.000 0.207 233 L C 2.118 178.983 176.870 -0.009 0.000 1.086 233 L CA 2.818 57.665 54.840 0.011 0.000 0.760 233 L CB -0.720 41.328 42.059 -0.019 0.000 0.910 233 L HN 0.096 8.363 8.230 0.062 0.000 0.437 234 A N -0.394 122.415 122.820 -0.019 0.000 1.908 234 A HA -0.347 3.958 4.320 -0.027 0.000 0.218 234 A C 1.895 179.459 177.584 -0.033 0.000 1.181 234 A CA 2.972 54.992 52.037 -0.029 0.000 0.627 234 A CB -1.183 17.794 19.000 -0.038 0.000 0.818 234 A HN -0.302 7.837 8.150 -0.019 0.000 0.445 235 A N -2.559 120.237 122.820 -0.040 0.000 1.898 235 A HA -0.297 3.993 4.320 -0.049 0.000 0.216 235 A C 1.787 179.354 177.584 -0.028 0.000 1.181 235 A CA 2.680 54.689 52.037 -0.046 0.000 0.620 235 A CB -0.627 18.326 19.000 -0.078 0.000 0.819 235 A HN -0.325 7.799 8.150 -0.043 0.000 0.442 236 A N -1.113 121.700 122.820 -0.012 0.000 1.877 236 A HA -0.327 3.982 4.320 -0.020 0.000 0.216 236 A C 2.528 180.095 177.584 -0.028 0.000 1.186 236 A CA 2.649 54.675 52.037 -0.018 0.000 0.620 236 A CB -0.510 18.480 19.000 -0.016 0.000 0.822 236 A HN -0.376 7.700 8.150 0.000 0.074 0.443 237 L N -2.200 119.006 121.223 -0.027 0.000 2.079 237 L HA -0.274 4.047 4.340 -0.031 0.000 0.210 237 L C 3.080 179.933 176.870 -0.027 0.000 1.081 237 L CA 2.227 57.050 54.840 -0.029 0.000 0.752 237 L CB -0.357 41.685 42.059 -0.027 0.000 0.896 237 L HN -0.004 8.212 8.230 -0.025 0.000 0.433 238 G N -2.974 105.809 108.800 -0.028 0.000 2.559 238 G HA2 -0.199 3.746 3.960 -0.025 0.000 0.216 238 G HA3 -0.199 3.743 3.960 -0.029 0.000 0.216 238 G C 0.193 175.077 174.900 -0.026 0.000 1.126 238 G CA 1.468 46.551 45.100 -0.027 0.000 0.778 238 G HN -0.096 8.076 8.290 -0.029 0.101 0.543 239 T N -2.059 112.479 114.554 -0.027 0.000 3.035 239 T HA -0.158 4.177 4.350 -0.025 0.000 0.268 239 T C 1.274 175.960 174.700 -0.023 0.000 1.109 239 T CA 0.383 62.467 62.100 -0.026 0.000 1.119 239 T CB 0.398 69.249 68.868 -0.029 0.000 0.900 239 T HN -0.706 7.360 8.240 -0.028 0.157 0.503 240 G N 1.153 109.939 108.800 -0.023 0.000 2.179 240 G HA2 -0.313 3.635 3.960 -0.020 0.000 0.260 240 G HA3 -0.313 3.637 3.960 -0.017 0.000 0.260 240 G C 0.407 175.295 174.900 -0.020 0.000 0.977 240 G CA 0.790 45.878 45.100 -0.020 0.000 0.641 240 G HN -0.360 7.863 8.290 -0.024 0.052 0.533 241 K N -1.471 118.914 120.400 -0.025 0.000 2.413 241 K HA 0.286 4.593 4.320 -0.021 0.000 0.204 241 K C -1.909 174.670 176.600 -0.035 0.000 1.041 241 K CA -0.362 55.910 56.287 -0.026 0.000 1.082 241 K CB 1.551 34.036 32.500 -0.025 0.000 0.871 241 K HN -0.344 7.826 8.250 -0.027 0.063 0.535 242 V N -1.131 118.760 119.914 -0.038 0.000 2.588 242 V HA 0.943 5.250 4.120 -0.049 -0.216 0.304 242 V C -0.403 175.665 176.094 -0.043 0.000 1.042 242 V CA -2.337 59.936 62.300 -0.045 0.000 0.877 242 V CB 2.433 34.226 31.823 -0.050 0.000 0.996 242 V HN -0.607 7.563 8.190 -0.034 0.000 0.425 243 T N 3.700 118.224 114.554 -0.049 0.000 2.916 243 T HA 0.540 4.862 4.350 -0.046 0.000 0.292 243 T C -1.670 172.993 174.700 -0.060 0.000 1.055 243 T CA -2.384 59.685 62.100 -0.052 0.000 1.009 243 T CB 2.693 71.529 68.868 -0.053 0.000 1.118 243 T HN 0.456 8.665 8.240 -0.052 0.000 0.497 244 I N 1.642 122.175 120.570 -0.062 0.000 2.447 244 I HA 0.372 4.675 4.170 -0.070 -0.175 0.287 244 I C -0.802 175.261 176.117 -0.091 0.000 1.023 244 I CA -0.992 60.268 61.300 -0.066 0.000 1.083 244 I CB 2.345 40.318 38.000 -0.045 0.000 1.245 244 I HN 0.255 8.430 8.210 -0.057 0.000 0.434 245 Q N 8.147 127.864 119.800 -0.139 0.000 2.322 245 Q HA 0.443 4.677 4.340 -0.176 0.000 0.265 245 Q C -1.020 174.905 176.000 -0.125 0.000 0.985 245 Q CA -1.506 54.158 55.803 -0.232 0.000 0.849 245 Q CB 2.931 31.338 28.738 -0.552 0.000 1.274 245 Q HN 0.542 8.732 8.270 -0.133 0.000 0.449 246 T N -1.303 113.250 114.554 -0.002 0.000 2.944 246 T HA 0.635 5.195 4.350 0.082 -0.160 0.284 246 T C 0.779 175.623 174.700 0.241 0.000 1.010 246 T CA -2.831 59.325 62.100 0.092 0.000 1.025 246 T CB 2.426 71.310 68.868 0.027 0.000 1.079 246 T HN 0.320 8.551 8.240 -0.014 0.000 0.516 247 L N -2.335 118.995 121.223 0.178 0.000 3.839 247 L HA -0.459 4.229 4.340 0.180 -0.240 0.416 247 L C -1.765 175.178 176.870 0.121 0.000 1.195 247 L CA 0.917 55.851 54.840 0.157 0.000 0.946 247 L CB -2.509 39.594 42.059 0.073 0.000 1.891 247 L HN 0.446 8.762 8.230 0.144 0.000 0.963 248 H N -1.397 117.703 119.070 0.050 0.000 2.708 248 H HA 0.650 5.426 4.556 0.034 -0.200 0.320 248 H C -0.909 174.445 175.328 0.043 0.000 0.991 248 H CA -1.086 54.984 56.048 0.037 0.000 1.243 248 H CB 1.200 30.974 29.762 0.020 0.000 1.446 248 H HN -0.470 7.945 8.280 0.284 0.035 0.502 249 Q N 5.345 125.205 119.800 0.100 0.000 2.325 249 Q HA 0.377 4.767 4.340 0.083 0.000 0.262 249 Q C -1.501 174.535 176.000 0.059 0.000 0.968 249 Q CA -1.884 53.967 55.803 0.080 0.000 0.877 249 Q CB 2.143 30.927 28.738 0.077 0.000 1.253 249 Q HN 0.414 8.712 8.270 0.048 0.000 0.448 250 V N 8.644 128.590 119.914 0.052 0.000 2.572 250 V HA -0.223 4.055 4.120 0.042 -0.133 0.291 250 V C 0.021 176.127 176.094 0.021 0.000 1.039 250 V CA 1.411 63.733 62.300 0.036 0.000 1.055 250 V CB 0.270 32.107 31.823 0.025 0.000 0.969 250 V HN 0.677 8.898 8.190 0.052 0.000 0.482 251 K N 6.304 126.715 120.400 0.017 0.000 2.225 251 K HA 0.191 4.521 4.320 0.017 0.000 0.204 251 K C 0.108 176.707 176.600 -0.001 0.000 1.047 251 K CA 0.625 56.920 56.287 0.013 0.000 0.970 251 K CB 1.632 34.142 32.500 0.017 0.000 0.939 251 K HN 0.746 9.008 8.250 0.020 0.000 0.472 252 T N -5.514 109.038 114.554 -0.003 0.000 2.908 252 T HA 0.275 4.606 4.350 -0.032 0.000 0.290 252 T C -1.893 172.795 174.700 -0.019 0.000 1.034 252 T CA -1.533 60.557 62.100 -0.018 0.000 1.010 252 T CB 2.560 71.421 68.868 -0.011 0.000 1.068 252 T HN -0.836 7.407 8.240 0.004 0.000 0.481 253 I N 2.244 122.790 120.570 -0.040 0.000 2.499 253 I HA 0.584 4.905 4.170 -0.003 -0.153 0.288 253 I C -1.625 174.480 176.117 -0.019 0.000 1.048 253 I CA -0.973 60.306 61.300 -0.035 0.000 1.062 253 I CB 2.774 40.711 38.000 -0.105 0.000 1.238 253 I HN 0.564 8.741 8.210 -0.054 0.000 0.426 254 R N 2.753 123.276 120.500 0.038 0.000 2.810 254 R HA 0.586 4.934 4.340 0.013 0.000 0.266 254 R C -2.397 173.939 176.300 0.059 0.000 1.061 254 R CA -2.534 53.585 56.100 0.032 0.000 0.943 254 R CB 3.249 33.554 30.300 0.009 0.000 1.237 254 R HN 0.386 8.696 8.270 0.066 0.000 0.459 255 Q N -0.024 119.778 119.800 0.004 0.000 2.351 255 Q HA 0.454 4.721 4.340 -0.120 0.000 0.273 255 Q C -0.339 175.629 176.000 -0.054 0.000 1.077 255 Q CA -1.142 54.614 55.803 -0.078 0.000 0.843 255 Q CB 3.258 31.919 28.738 -0.127 0.000 1.367 255 Q HN 0.331 8.606 8.270 0.009 0.000 0.449 256 T N -2.621 111.885 114.554 -0.079 0.000 2.804 256 T HA 0.446 4.772 4.350 -0.041 0.000 0.290 256 T C 0.608 175.267 174.700 -0.068 0.000 1.099 256 T CA -2.436 59.631 62.100 -0.055 0.000 1.011 256 T CB 1.850 70.695 68.868 -0.038 0.000 1.291 256 T HN -0.101 8.070 8.240 -0.115 0.000 0.523 257 K N -0.356 120.011 120.400 -0.054 0.000 2.360 257 K HA -0.258 4.027 4.320 -0.059 0.000 0.201 257 K C 0.303 176.859 176.600 -0.074 0.000 1.046 257 K CA 2.180 58.432 56.287 -0.058 0.000 0.945 257 K CB -0.088 32.385 32.500 -0.045 0.000 0.750 257 K HN 0.365 8.588 8.250 -0.044 0.000 0.464 258 D N -3.050 117.302 120.400 -0.081 0.000 2.310 258 D HA -0.054 4.522 4.640 -0.108 0.000 0.212 258 D C 0.786 177.011 176.300 -0.125 0.000 0.965 258 D CA 0.343 54.281 54.000 -0.104 0.000 0.879 258 D CB 0.150 40.893 40.800 -0.094 0.000 0.921 258 D HN -0.611 7.664 8.370 -0.071 0.053 0.510 259 G N -0.435 108.287 108.800 -0.130 0.000 2.781 259 G HA2 -0.228 3.630 3.960 -0.171 0.000 0.683 259 G HA3 -0.228 3.644 3.960 -0.147 0.000 0.683 259 G C -0.527 174.247 174.900 -0.209 0.000 1.390 259 G CA -0.592 44.410 45.100 -0.162 0.000 0.850 259 G HN -0.636 7.513 8.290 -0.121 0.068 0.557 260 G N -0.309 108.305 108.800 -0.310 0.000 2.547 260 G HA2 -0.290 3.388 3.960 -0.469 0.000 0.271 260 G HA3 -0.290 3.759 3.960 -0.196 -0.206 0.271 260 G C -1.853 172.584 174.900 -0.771 0.000 1.209 260 G CA 0.079 44.930 45.100 -0.416 0.000 0.959 260 G HN -0.195 7.917 8.290 -0.297 0.000 0.563 261 Y N -0.428 119.864 120.300 -0.013 0.000 2.545 261 Y HA 0.543 5.217 4.550 -0.038 -0.147 0.348 261 Y C -1.971 173.929 175.900 0.001 0.000 1.002 261 Y CA -1.520 56.564 58.100 -0.027 0.000 1.039 261 Y CB 4.362 42.786 38.460 -0.059 0.000 1.271 261 Y HN -0.536 7.742 8.280 -0.003 0.000 0.467 262 A N -0.495 122.398 122.820 0.123 0.000 2.371 262 A HA 0.793 5.303 4.320 0.089 -0.136 0.311 262 A C -2.471 175.156 177.584 0.072 0.000 1.068 262 A CA -2.032 50.054 52.037 0.082 0.000 0.744 262 A CB 3.229 22.254 19.000 0.042 0.000 1.239 262 A HN 0.863 9.089 8.150 0.128 0.000 0.435 263 L N 2.085 123.345 121.223 0.061 0.000 2.346 263 L HA 0.904 5.475 4.340 0.034 -0.210 0.274 263 L C 0.238 177.131 176.870 0.039 0.000 1.007 263 L CA -2.091 52.776 54.840 0.044 0.000 0.818 263 L CB 3.473 45.560 42.059 0.047 0.000 1.284 263 L HN 0.665 8.934 8.230 0.065 0.000 0.424 264 T N -0.135 114.436 114.554 0.028 0.000 2.795 264 T HA 0.666 5.203 4.350 0.031 -0.168 0.282 264 T C -0.658 174.060 174.700 0.031 0.000 0.980 264 T CA -1.581 60.535 62.100 0.026 0.000 1.012 264 T CB 1.307 70.185 68.868 0.017 0.000 0.936 264 T HN 0.258 8.511 8.240 0.021 0.000 0.457 265 V N 4.840 124.777 119.914 0.038 0.000 2.482 265 V HA 0.488 4.806 4.120 0.048 -0.169 0.295 265 V C -1.544 174.555 176.094 0.008 0.000 1.026 265 V CA -1.682 60.649 62.300 0.052 0.000 0.856 265 V CB 2.323 34.214 31.823 0.114 0.000 1.001 265 V HN 0.423 8.634 8.190 0.035 0.000 0.424 266 E N 7.058 127.246 120.200 -0.020 0.000 2.200 266 E HA 0.368 4.818 4.350 -0.074 -0.145 0.283 266 E C -1.496 174.998 176.600 -0.177 0.000 1.015 266 E CA -1.070 55.286 56.400 -0.073 0.000 0.819 266 E CB 1.706 31.378 29.700 -0.047 0.000 1.081 266 E HN 0.370 8.731 8.360 0.001 0.000 0.397 267 Q N 7.010 126.645 119.800 -0.276 0.000 2.314 267 Q HA 0.696 4.916 4.340 -0.568 -0.221 0.259 267 Q C -1.202 174.674 176.000 -0.207 0.000 0.951 267 Q CA -1.013 54.527 55.803 -0.437 0.000 0.909 267 Q CB 2.365 30.768 28.738 -0.559 0.000 1.236 267 Q HN 0.393 8.537 8.270 -0.210 0.000 0.444 268 K N 7.285 127.597 120.400 -0.147 0.000 2.350 268 K HA 0.839 5.273 4.320 -0.092 -0.170 0.241 268 K C -0.685 175.879 176.600 -0.062 0.000 0.994 268 K CA -1.815 54.418 56.287 -0.090 0.000 0.839 268 K CB 3.695 36.146 32.500 -0.081 0.000 1.244 268 K HN 0.002 8.161 8.250 -0.150 0.000 0.443 269 D N -0.731 119.641 120.400 -0.048 0.000 2.466 269 D HA 0.195 4.812 4.640 -0.039 0.000 0.262 269 D C 1.716 177.996 176.300 -0.034 0.000 1.177 269 D CA -1.393 52.586 54.000 -0.035 0.000 1.035 269 D CB 0.907 41.693 40.800 -0.023 0.000 1.105 269 D HN 0.070 8.409 8.370 -0.051 0.000 0.551 270 T N -7.521 106.990 114.554 -0.071 0.000 3.072 270 T HA -0.246 3.950 4.350 -0.257 0.000 0.266 270 T C 0.278 174.914 174.700 -0.107 0.000 1.127 270 T CA 2.353 64.329 62.100 -0.206 0.000 1.107 270 T CB -0.237 68.447 68.868 -0.306 0.000 0.910 270 T HN 0.109 8.314 8.240 -0.058 0.000 0.513 271 D N 0.873 121.304 120.400 0.052 0.000 2.340 271 D HA 0.062 4.809 4.640 0.179 0.000 0.220 271 D C 0.972 177.403 176.300 0.217 0.000 1.039 271 D CA 0.440 54.529 54.000 0.148 0.000 0.866 271 D CB -0.018 40.836 40.800 0.090 0.000 0.913 271 D HN -0.584 7.938 8.370 0.030 -0.133 0.523 272 G N 0.348 109.221 108.800 0.121 0.000 2.159 272 G HA2 -0.434 3.344 3.960 -0.304 0.000 0.256 272 G HA3 -0.434 3.280 3.960 -0.411 0.000 0.256 272 G C -0.068 174.738 174.900 -0.157 0.000 0.977 272 G CA 0.399 45.377 45.100 -0.203 0.000 0.652 272 G HN -0.444 7.777 8.290 0.119 0.140 0.531 273 K N 1.209 121.568 120.400 -0.069 0.000 2.298 273 K HA 0.161 4.143 4.320 -0.563 0.000 0.280 273 K C -0.977 175.579 176.600 -0.073 0.000 1.032 273 K CA -1.230 55.018 56.287 -0.064 0.000 0.958 273 K CB 0.886 33.365 32.500 -0.034 0.000 0.978 273 K HN -0.404 nan 8.250 nan 0.000 0.472 274 L N 5.438 126.617 121.223 -0.073 0.000 2.369 274 L HA -0.090 4.200 4.340 -0.082 0.000 0.279 274 L C -0.347 176.488 176.870 -0.059 0.000 1.108 274 L CA 1.018 55.816 54.840 -0.071 0.000 0.852 274 L CB 0.353 42.374 42.059 -0.064 0.000 1.169 274 L HN 0.424 8.611 8.230 -0.071 0.000 0.452 275 L N 8.050 129.233 121.223 -0.067 0.000 2.316 275 L HA 0.100 4.414 4.340 -0.043 0.000 0.207 275 L C 0.261 177.100 176.870 -0.051 0.000 1.070 275 L CA 0.677 55.484 54.840 -0.055 0.000 0.820 275 L CB 0.598 42.622 42.059 -0.059 0.000 0.992 275 L HN 0.828 9.009 8.230 -0.082 0.000 0.466 276 A N -3.260 119.520 122.820 -0.067 0.000 2.599 276 A HA 0.286 4.585 4.320 -0.035 0.000 0.294 276 A C -2.464 175.085 177.584 -0.058 0.000 1.055 276 A CA 0.099 52.106 52.037 -0.051 0.000 0.683 276 A CB 2.400 21.376 19.000 -0.040 0.000 1.278 276 A HN -0.677 7.423 8.150 -0.084 0.000 0.412 277 T N 3.529 118.064 114.554 -0.031 0.000 2.786 277 T HA 0.592 5.098 4.350 -0.031 -0.175 0.283 277 T C -0.452 174.249 174.700 0.002 0.000 0.992 277 T CA -0.653 61.435 62.100 -0.020 0.000 0.954 277 T CB 1.179 70.040 68.868 -0.013 0.000 0.934 277 T HN 0.134 8.361 8.240 -0.022 0.000 0.440 278 K N 7.260 127.670 120.400 0.018 0.000 2.208 278 K HA 0.324 4.666 4.320 0.037 0.000 0.247 278 K C -1.799 174.829 176.600 0.046 0.000 0.953 278 K CA -1.518 54.795 56.287 0.043 0.000 0.837 278 K CB 2.470 35.021 32.500 0.084 0.000 1.131 278 K HN 0.603 8.862 8.250 0.014 0.000 0.431 279 E N 3.429 123.655 120.200 0.044 0.000 2.081 279 E HA 0.620 5.192 4.350 0.043 -0.197 0.276 279 E C -0.924 175.709 176.600 0.055 0.000 0.950 279 E CA -1.296 55.130 56.400 0.045 0.000 0.776 279 E CB 0.502 30.223 29.700 0.036 0.000 1.094 279 E HN 0.308 8.693 8.360 0.042 0.000 0.402 280 I N 7.512 128.118 120.570 0.059 0.000 2.509 280 I HA 0.519 4.900 4.170 0.060 -0.175 0.293 280 I C -1.778 174.381 176.117 0.071 0.000 1.020 280 I CA -1.301 60.034 61.300 0.060 0.000 1.088 280 I CB 2.934 40.965 38.000 0.050 0.000 1.267 280 I HN -0.080 8.164 8.210 0.057 0.000 0.430 281 S N 5.153 120.908 115.700 0.091 0.000 2.667 281 S HA 0.973 5.643 4.470 0.116 -0.130 0.292 281 S C -1.363 173.315 174.600 0.129 0.000 1.126 281 S CA -1.959 56.321 58.200 0.132 0.000 0.881 281 S CB 3.682 66.978 63.200 0.161 0.000 1.132 281 S HN 0.257 8.620 8.310 0.089 0.000 0.492 282 C N -2.853 116.553 119.300 0.176 0.000 3.306 282 C HA 0.934 5.525 4.460 -0.107 -0.195 0.335 282 C C -0.473 174.627 174.990 0.184 0.000 1.382 282 C CA -1.199 57.873 59.018 0.090 0.000 1.254 282 C CB 3.082 30.863 27.740 0.067 0.000 1.555 282 C HN 0.373 8.716 8.230 0.189 0.000 0.463 283 R N 1.352 121.908 120.500 0.094 0.000 2.075 283 R HA -0.063 4.227 4.340 -0.083 0.000 0.220 283 R C -0.515 175.640 176.300 -0.242 0.000 1.118 283 R CA 1.895 57.901 56.100 -0.156 0.000 0.986 283 R CB 1.580 31.639 30.300 -0.401 0.000 0.884 283 R HN -0.007 8.284 8.270 0.036 0.000 0.439 284 Y N -3.978 116.465 120.300 0.239 0.000 2.341 284 Y HA 0.252 5.072 4.550 0.210 -0.145 0.338 284 Y C -1.755 174.277 175.900 0.220 0.000 0.965 284 Y CA -1.569 56.686 58.100 0.257 0.000 1.108 284 Y CB 2.380 41.087 38.460 0.411 0.000 1.180 284 Y HN -0.270 8.058 8.280 0.080 0.000 0.458 285 L N 2.599 123.909 121.223 0.144 0.000 2.349 285 L HA 0.644 5.254 4.340 0.199 -0.151 0.278 285 L C -2.326 174.483 176.870 -0.100 0.000 0.996 285 L CA -1.410 53.455 54.840 0.042 0.000 0.825 285 L CB 3.359 45.306 42.059 -0.185 0.000 1.243 285 L HN 0.280 8.520 8.230 0.017 0.000 0.412 286 F N 5.704 125.723 119.950 0.114 0.000 2.426 286 F HA 0.395 5.186 4.527 0.178 -0.156 0.348 286 F C -1.539 174.274 175.800 0.023 0.000 1.124 286 F CA -1.657 56.411 58.000 0.113 0.000 1.008 286 F CB 2.729 41.782 39.000 0.088 0.000 1.139 286 F HN 0.744 9.312 8.300 0.446 0.000 0.452 287 L N 3.231 124.533 121.223 0.132 0.000 2.257 287 L HA 0.204 4.573 4.340 0.048 0.000 0.290 287 L C -1.090 175.825 176.870 0.075 0.000 1.044 287 L CA -0.206 54.668 54.840 0.057 0.000 0.810 287 L CB 0.400 42.450 42.059 -0.014 0.000 1.193 287 L HN 0.762 9.058 8.230 0.110 0.000 0.425 288 G N 1.756 110.589 108.800 0.054 0.000 4.543 288 G HA2 0.289 4.404 3.960 0.042 0.000 0.286 288 G HA3 0.289 4.248 3.960 0.031 0.019 0.286 288 G C -0.889 174.021 174.900 0.017 0.000 1.112 288 G CA 0.194 45.316 45.100 0.036 0.000 0.870 288 G HN 0.537 8.856 8.290 0.048 0.000 0.540 289 A N 0.763 123.588 122.820 0.009 0.000 2.278 289 A HA 0.149 4.465 4.320 -0.007 0.000 0.212 289 A C -0.948 176.637 177.584 0.003 0.000 1.213 289 A CA -0.760 51.274 52.037 -0.004 0.000 0.840 289 A CB 0.235 19.225 19.000 -0.017 0.000 0.866 289 A HN -0.389 7.777 8.150 0.008 -0.011 0.489 290 G N -1.863 106.952 108.800 0.026 0.000 2.746 290 G HA2 -0.378 3.626 3.960 0.074 0.000 0.685 290 G HA3 -0.378 3.620 3.960 0.064 0.000 0.685 290 G C 0.175 175.107 174.900 0.053 0.000 1.350 290 G CA -0.508 44.625 45.100 0.056 0.000 0.837 290 G HN -0.422 8.058 8.290 0.027 -0.174 0.564 291 S N 0.042 115.809 115.700 0.111 0.000 2.372 291 S HA -0.443 4.153 4.470 0.119 -0.055 0.227 291 S C 2.531 177.153 174.600 0.037 0.000 1.044 291 S CA 3.019 61.310 58.200 0.153 0.000 1.050 291 S CB 0.027 63.419 63.200 0.320 0.000 0.901 291 S HN 0.444 8.835 8.310 0.134 0.000 0.447 292 L N 0.202 121.466 121.223 0.068 0.000 2.416 292 L HA 0.199 4.202 4.340 -0.563 0.000 0.216 292 L C 1.655 178.443 176.870 -0.137 0.000 1.098 292 L CA 0.444 55.195 54.840 -0.149 0.000 0.840 292 L CB -0.236 41.900 42.059 0.130 0.000 0.981 292 L HN 0.145 nan 8.230 nan 0.000 0.462 293 G N -1.023 107.741 108.800 -0.060 0.000 2.411 293 G HA2 -0.160 3.767 3.960 -0.056 0.000 0.213 293 G HA3 -0.160 3.922 3.960 -0.040 -0.146 0.213 293 G C 1.012 175.863 174.900 -0.081 0.000 1.166 293 G CA 1.593 46.657 45.100 -0.060 0.000 0.802 293 G HN -0.239 8.039 8.290 -0.020 0.000 0.533 294 S N 2.666 118.320 115.700 -0.076 0.000 2.368 294 S HA -0.290 4.140 4.470 -0.068 0.000 0.224 294 S C 1.968 176.493 174.600 -0.124 0.000 1.029 294 S CA 4.170 62.324 58.200 -0.077 0.000 0.988 294 S CB 0.154 63.329 63.200 -0.043 0.000 0.838 294 S HN 0.019 8.294 8.310 -0.058 0.000 0.462 295 T N 5.345 119.783 114.554 -0.194 0.000 2.746 295 T HA -0.374 3.868 4.350 -0.180 0.000 0.267 295 T C 1.462 176.003 174.700 -0.266 0.000 1.039 295 T CA 4.826 66.760 62.100 -0.277 0.000 1.142 295 T CB -0.050 68.491 68.868 -0.545 0.000 0.866 295 T HN -0.725 7.397 8.240 -0.197 0.000 0.444 296 E N 2.086 122.124 120.200 -0.269 0.000 2.077 296 E HA -0.323 3.963 4.350 -0.106 0.000 0.193 296 E C 2.228 178.783 176.600 -0.075 0.000 0.989 296 E CA 3.162 59.485 56.400 -0.128 0.000 0.800 296 E CB -0.199 29.464 29.700 -0.061 0.000 0.746 296 E HN -0.554 7.626 8.360 -0.301 0.000 0.452 297 L N -1.361 119.810 121.223 -0.087 0.000 2.042 297 L HA -0.362 3.938 4.340 -0.067 0.000 0.210 297 L C 2.502 179.303 176.870 -0.115 0.000 1.076 297 L CA 3.208 57.997 54.840 -0.085 0.000 0.749 297 L CB -0.008 42.002 42.059 -0.082 0.000 0.893 297 L HN -0.538 7.634 8.230 -0.096 0.000 0.432 298 L N -2.762 118.389 121.223 -0.120 0.000 2.131 298 L HA -0.402 3.850 4.340 -0.146 0.000 0.206 298 L C 2.162 178.963 176.870 -0.115 0.000 1.087 298 L CA 2.803 57.568 54.840 -0.125 0.000 0.767 298 L CB -0.478 41.516 42.059 -0.109 0.000 0.917 298 L HN -0.508 7.652 8.230 -0.118 0.000 0.441 299 V N -0.186 119.671 119.914 -0.094 0.000 2.287 299 V HA -0.500 3.587 4.120 -0.056 0.000 0.248 299 V C 1.802 177.764 176.094 -0.221 0.000 1.053 299 V CA 4.326 66.581 62.300 -0.075 0.000 1.027 299 V CB -0.906 30.930 31.823 0.022 0.000 0.646 299 V HN 0.198 8.331 8.190 -0.094 0.000 0.447 300 R N -0.282 120.058 120.500 -0.266 0.000 2.083 300 R HA -0.487 3.171 4.340 -1.137 0.000 0.237 300 R C 2.192 178.250 176.300 -0.403 0.000 1.137 300 R CA 4.016 59.795 56.100 -0.536 0.000 0.951 300 R CB -0.178 29.988 30.300 -0.224 0.000 0.851 300 R HN -0.074 8.105 8.270 -0.152 0.000 0.434 301 A N -1.679 121.001 122.820 -0.233 0.000 1.933 301 A HA -0.174 4.046 4.320 -0.166 0.000 0.218 301 A C 2.486 179.975 177.584 -0.157 0.000 1.175 301 A CA 2.719 54.648 52.037 -0.179 0.000 0.628 301 A CB -0.648 18.251 19.000 -0.169 0.000 0.814 301 A HN -0.255 7.775 8.150 -0.200 0.000 0.444 302 R N -1.143 119.269 120.500 -0.147 0.000 2.062 302 R HA -0.245 4.253 4.340 -0.046 -0.186 0.231 302 R C 1.665 177.900 176.300 -0.108 0.000 1.136 302 R CA 2.954 59.002 56.100 -0.086 0.000 0.948 302 R CB 0.236 30.506 30.300 -0.050 0.000 0.845 302 R HN -0.258 7.917 8.270 -0.157 0.000 0.430 303 D N -3.124 117.155 120.400 -0.203 0.000 2.347 303 D HA -0.011 4.588 4.640 -0.068 0.000 0.213 303 D C 1.528 177.719 176.300 -0.181 0.000 0.985 303 D CA 2.123 56.020 54.000 -0.171 0.000 0.879 303 D CB 0.042 40.754 40.800 -0.147 0.000 0.919 303 D HN -0.336 7.867 8.370 -0.278 0.000 0.526 304 T N -6.274 108.131 114.554 -0.247 0.000 3.069 304 T HA 0.225 4.542 4.350 -0.055 0.000 0.252 304 T C 0.893 175.555 174.700 -0.064 0.000 1.053 304 T CA -0.755 61.271 62.100 -0.124 0.000 0.964 304 T CB 0.746 69.532 68.868 -0.137 0.000 1.005 304 T HN -0.449 7.566 8.240 -0.313 0.037 0.532 305 G N 2.163 110.926 108.800 -0.061 0.000 2.143 305 G HA2 -0.285 3.668 3.960 -0.013 0.000 0.248 305 G HA3 -0.285 3.669 3.960 -0.011 0.000 0.248 305 G C 0.667 175.558 174.900 -0.016 0.000 0.991 305 G CA 0.975 46.062 45.100 -0.022 0.000 0.689 305 G HN -0.513 7.563 8.290 -0.085 0.162 0.522 306 T N -2.499 112.031 114.554 -0.039 0.000 3.035 306 T HA -0.092 4.251 4.350 -0.012 0.000 0.259 306 T C 0.024 174.710 174.700 -0.025 0.000 1.078 306 T CA 1.385 63.468 62.100 -0.029 0.000 1.132 306 T CB 0.911 69.752 68.868 -0.044 0.000 0.900 306 T HN -0.362 7.800 8.240 -0.064 0.040 0.480 307 L N 1.071 122.266 121.223 -0.048 0.000 2.556 307 L HA 0.652 5.012 4.340 0.033 0.000 0.243 307 L C -2.142 174.794 176.870 0.109 0.000 1.331 307 L CA -2.577 52.237 54.840 -0.044 0.000 0.927 307 L CB 0.788 42.636 42.059 -0.353 0.000 1.219 307 L HN -0.523 7.569 8.230 -0.063 0.100 0.490 308 P HA 0.032 4.487 4.420 0.057 0.000 0.233 308 P C -0.118 177.256 177.300 0.122 0.000 1.167 308 P CA 1.060 64.218 63.100 0.097 0.000 0.770 308 P CB 0.082 31.820 31.700 0.064 0.000 0.837 309 N N -1.642 117.186 118.700 0.214 0.000 2.336 309 N HA 0.130 4.898 4.740 0.047 0.000 0.189 309 N C -0.085 175.511 175.510 0.145 0.000 1.113 309 N CA -0.435 52.668 53.050 0.088 0.000 0.858 309 N CB 0.521 38.936 38.487 -0.121 0.000 0.970 309 N HN -0.419 8.115 8.380 0.365 0.066 0.471 310 L N -0.915 120.466 121.223 0.264 0.000 2.529 310 L HA -0.280 4.189 4.340 0.216 0.000 0.287 310 L C 0.092 177.012 176.870 0.082 0.000 1.241 310 L CA 1.179 56.123 54.840 0.174 0.000 0.857 310 L CB 0.259 42.375 42.059 0.095 0.000 1.113 310 L HN -0.943 7.370 8.230 0.263 0.075 0.504 311 N N 0.023 118.760 118.700 0.062 0.000 2.405 311 N HA 0.030 4.792 4.740 0.036 0.000 0.269 311 N C 0.992 176.525 175.510 0.038 0.000 1.249 311 N CA -1.013 52.061 53.050 0.040 0.000 0.974 311 N CB 1.195 39.701 38.487 0.031 0.000 1.204 311 N HN -0.084 8.337 8.380 0.068 0.000 0.565 312 S N -3.809 111.911 115.700 0.034 0.000 2.515 312 S HA -0.141 4.353 4.470 0.040 0.000 0.231 312 S C 1.338 175.965 174.600 0.045 0.000 0.987 312 S CA 1.982 60.205 58.200 0.038 0.000 0.936 312 S CB -0.568 62.652 63.200 0.033 0.000 0.766 312 S HN 0.310 8.638 8.310 0.030 0.000 0.528 313 E N 1.181 121.407 120.200 0.043 0.000 2.435 313 E HA -0.013 4.371 4.350 0.056 0.000 0.195 313 E C 0.109 176.745 176.600 0.060 0.000 1.029 313 E CA 0.118 56.549 56.400 0.051 0.000 0.865 313 E CB 0.019 29.743 29.700 0.041 0.000 0.833 313 E HN -0.484 8.049 8.360 0.038 -0.150 0.510 314 V N -0.046 119.899 119.914 0.050 0.000 2.493 314 V HA -0.557 3.588 4.120 0.043 0.000 0.292 314 V C 0.516 176.654 176.094 0.073 0.000 1.016 314 V CA 2.535 64.862 62.300 0.045 0.000 1.097 314 V CB -0.697 31.139 31.823 0.020 0.000 0.947 314 V HN -0.819 7.497 8.190 0.044 -0.099 0.479 315 G N 6.733 115.595 108.800 0.103 0.000 2.234 315 G HA2 -0.414 3.679 3.960 0.222 0.000 0.235 315 G HA3 -0.414 3.658 3.960 0.186 0.000 0.235 315 G C -1.491 173.575 174.900 0.276 0.000 0.997 315 G CA 0.240 45.461 45.100 0.201 0.000 0.623 315 G HN 0.852 9.192 8.290 0.083 0.000 0.514 316 A N 0.291 123.225 122.820 0.191 0.000 2.252 316 A HA 0.322 4.751 4.320 0.182 0.000 0.305 316 A C -0.611 177.099 177.584 0.210 0.000 1.097 316 A CA -1.609 50.535 52.037 0.178 0.000 0.849 316 A CB 1.173 20.241 19.000 0.113 0.000 1.142 316 A HN -0.631 7.543 8.150 0.150 0.066 0.499 317 G N -2.467 106.450 108.800 0.194 0.000 2.160 317 G HA2 -0.406 3.639 3.960 0.142 0.000 0.244 317 G HA3 -0.406 3.631 3.960 0.128 0.000 0.244 317 G C -0.629 174.398 174.900 0.212 0.000 1.022 317 G CA -0.113 45.088 45.100 0.168 0.000 0.741 317 G HN 0.369 8.768 8.290 0.182 0.000 0.508 318 W N 2.594 123.957 121.300 0.105 0.000 2.315 318 W HA 0.233 5.128 4.660 0.102 -0.174 0.316 318 W C -1.997 174.543 176.519 0.036 0.000 1.211 318 W CA 0.178 57.573 57.345 0.083 0.000 1.201 318 W CB 1.554 31.047 29.460 0.056 0.000 1.184 318 W HN -0.463 7.972 8.180 0.426 0.000 0.544 319 G N 3.819 112.040 108.800 -0.965 0.000 2.690 319 G HA2 0.474 3.843 3.960 -0.984 0.000 0.291 319 G HA3 0.474 4.096 3.960 -0.563 0.000 0.291 319 G C -3.104 170.773 174.900 -1.705 0.000 1.403 319 G CA -1.166 43.279 45.100 -1.092 0.000 0.864 319 G HN 0.621 8.246 8.290 -1.108 0.000 0.480 320 P HA 0.289 4.145 4.420 -0.940 0.000 0.249 320 P C -0.584 176.461 177.300 -0.425 0.000 1.583 320 P CA -1.109 61.467 63.100 -0.873 0.000 0.988 320 P CB -0.216 31.057 31.700 -0.712 0.000 1.530 321 N N -0.183 118.329 118.700 -0.315 0.000 2.714 321 N HA -0.430 4.379 4.740 -0.064 -0.108 0.250 321 N C -0.277 175.218 175.510 -0.026 0.000 1.117 321 N CA 1.089 54.087 53.050 -0.087 0.000 0.719 321 N CB -1.096 37.426 38.487 0.060 0.000 1.081 321 N HN -0.277 7.768 8.380 -0.412 0.087 0.557 322 G N -6.649 102.108 108.800 -0.072 0.000 2.225 322 G HA2 -0.494 3.465 3.960 -0.001 0.000 0.267 322 G HA3 -0.494 3.691 3.960 0.074 -0.180 0.267 322 G C -0.453 174.423 174.900 -0.040 0.000 1.024 322 G CA 0.562 45.661 45.100 -0.001 0.000 0.784 322 G HN 0.510 8.681 8.290 -0.141 0.034 0.507 323 N N 0.523 119.112 118.700 -0.184 0.000 2.468 323 N HA 0.110 4.960 4.740 -0.131 -0.188 0.265 323 N C -1.189 174.166 175.510 -0.259 0.000 1.199 323 N CA 1.113 53.997 53.050 -0.278 0.000 0.928 323 N CB 1.092 39.189 38.487 -0.651 0.000 1.059 323 N HN -0.714 7.495 8.380 -0.249 0.021 0.467 324 I N 1.713 122.279 120.570 -0.007 0.000 2.656 324 I HA 0.484 4.905 4.170 0.149 -0.162 0.292 324 I C -2.045 174.234 176.117 0.271 0.000 1.144 324 I CA -2.336 59.050 61.300 0.143 0.000 1.038 324 I CB 3.954 42.025 38.000 0.118 0.000 1.244 324 I HN 0.157 8.401 8.210 0.057 0.000 0.420 325 M N 7.236 126.989 119.600 0.256 0.000 2.404 325 M HA 0.864 5.606 4.480 0.133 -0.183 0.338 325 M C -1.704 174.657 176.300 0.101 0.000 1.150 325 M CA -1.660 53.678 55.300 0.064 0.000 1.016 325 M CB 3.356 35.767 32.600 -0.316 0.000 1.672 325 M HN 0.023 8.488 8.290 0.291 0.000 0.448 326 T N 4.145 118.798 114.554 0.164 0.000 2.792 326 T HA 0.676 5.270 4.350 0.187 -0.132 0.303 326 T C -2.763 171.999 174.700 0.104 0.000 1.310 326 T CA -2.348 59.809 62.100 0.095 0.000 1.007 326 T CB 2.229 71.037 68.868 -0.100 0.000 1.335 326 T HN 0.276 8.609 8.240 0.154 0.000 0.504 327 A N -0.041 122.799 122.820 0.033 0.000 2.520 327 A HA 0.942 5.485 4.320 0.071 -0.180 0.298 327 A C -2.238 175.400 177.584 0.089 0.000 1.051 327 A CA -1.031 51.030 52.037 0.039 0.000 0.690 327 A CB 3.522 22.481 19.000 -0.069 0.000 1.281 327 A HN 0.361 8.480 8.150 -0.052 0.000 0.402 328 R N 1.053 121.623 120.500 0.116 0.000 2.589 328 R HA 0.391 4.837 4.340 -0.000 -0.106 0.293 328 R C -1.413 174.885 176.300 -0.003 0.000 0.963 328 R CA -1.865 54.264 56.100 0.049 0.000 0.905 328 R CB 3.847 34.208 30.300 0.101 0.000 1.144 328 R HN 0.562 8.914 8.270 0.136 0.000 0.459 329 A N 3.915 126.708 122.820 -0.045 0.000 2.269 329 A HA 0.181 4.500 4.320 -0.002 0.000 0.302 329 A C -1.438 176.064 177.584 -0.137 0.000 1.266 329 A CA -0.903 51.106 52.037 -0.046 0.000 0.894 329 A CB 0.531 19.510 19.000 -0.035 0.000 1.147 329 A HN 0.276 8.387 8.150 -0.065 0.000 0.537 330 N N 5.982 124.626 118.700 -0.093 0.000 2.467 330 N HA -0.011 4.530 4.740 -0.331 0.000 0.262 330 N C -0.387 174.927 175.510 -0.328 0.000 1.234 330 N CA 0.013 52.940 53.050 -0.206 0.000 0.952 330 N CB 1.522 39.985 38.487 -0.040 0.000 1.158 330 N HN -0.303 8.074 8.380 -0.005 0.000 0.463 331 H N 0.236 119.056 119.070 -0.417 0.000 2.745 331 H HA -0.078 4.039 4.556 -0.731 0.000 0.373 331 H C 1.427 176.303 175.328 -0.754 0.000 1.226 331 H CA 0.377 55.905 56.048 -0.867 0.000 1.435 331 H CB 0.977 29.665 29.762 -1.790 0.000 1.461 331 H HN 0.128 7.917 8.280 -0.818 0.000 0.616 332 M N 2.100 121.303 119.600 -0.661 0.000 2.144 332 M HA -0.214 3.848 4.480 -0.695 0.000 0.260 332 M C -0.113 176.271 176.300 0.141 0.000 1.067 332 M CA 2.398 57.485 55.300 -0.355 0.000 1.095 332 M CB -0.239 32.237 32.600 -0.206 0.000 1.365 332 M HN 0.437 8.280 8.290 -0.744 0.000 0.406 333 W N -6.283 115.124 121.300 0.178 0.000 3.077 333 W HA 0.045 4.799 4.660 0.158 0.000 0.245 333 W C -0.740 175.884 176.519 0.174 0.000 1.316 333 W CA -1.042 56.399 57.345 0.160 0.000 1.537 333 W CB -0.596 28.917 29.460 0.089 0.000 1.131 333 W HN -0.378 7.538 8.180 -0.397 0.025 0.695 334 N N 0.104 118.859 118.700 0.091 0.000 2.806 334 N HA 0.374 5.193 4.740 0.132 0.000 0.315 334 N C -2.594 172.973 175.510 0.096 0.000 1.738 334 N CA -2.083 51.023 53.050 0.094 0.000 0.993 334 N CB -0.415 38.082 38.487 0.017 0.000 1.324 334 N HN -0.398 7.767 8.380 -0.059 0.179 0.493 335 P HA 0.048 4.252 4.420 -0.479 -0.072 0.269 335 P C -0.169 177.000 177.300 -0.219 0.000 1.215 335 P CA 0.048 62.989 63.100 -0.264 0.000 0.780 335 P CB 0.513 32.011 31.700 -0.337 0.000 0.898 336 T N -3.922 110.446 114.554 -0.310 0.000 3.060 336 T HA 0.119 4.410 4.350 -0.099 0.000 0.249 336 T C -0.306 174.277 174.700 -0.194 0.000 1.079 336 T CA -0.455 61.541 62.100 -0.174 0.000 1.013 336 T CB 0.679 69.472 68.868 -0.125 0.000 0.975 336 T HN 0.017 8.270 8.240 -0.460 -0.290 0.518 337 G N 0.725 109.331 108.800 -0.324 0.000 2.697 337 G HA2 -0.227 3.537 3.960 -0.351 0.000 0.686 337 G HA3 -0.227 3.573 3.960 -0.266 0.000 0.686 337 G C -0.483 174.184 174.900 -0.389 0.000 1.179 337 G CA -0.517 44.385 45.100 -0.330 0.000 0.765 337 G HN -0.666 7.802 8.290 -0.419 -0.429 0.649 338 A N 1.238 123.789 122.820 -0.448 0.000 2.014 338 A HA -0.150 3.820 4.320 -0.430 0.092 0.218 338 A C -1.076 176.261 177.584 -0.413 0.000 1.163 338 A CA 1.190 52.942 52.037 -0.475 0.000 0.652 338 A CB 0.643 19.304 19.000 -0.565 0.000 0.808 338 A HN 0.264 8.140 8.150 -0.456 0.000 0.449 339 H N -2.400 116.405 119.070 -0.441 0.000 2.661 339 H HA 0.308 4.600 4.556 -0.440 0.000 0.290 339 H C -1.489 173.613 175.328 -0.377 0.000 1.082 339 H CA -1.470 54.196 56.048 -0.637 0.000 1.234 339 H CB -0.092 28.863 29.762 -1.345 0.000 1.387 339 H HN -0.027 7.955 8.280 -0.430 0.040 0.476 340 Q N 4.617 124.447 119.800 0.049 0.000 2.310 340 Q HA 0.331 4.878 4.340 0.090 -0.153 0.270 340 Q C -0.594 175.467 176.000 0.102 0.000 1.025 340 Q CA -1.690 54.097 55.803 -0.027 0.000 0.772 340 Q CB 3.071 31.525 28.738 -0.472 0.000 1.253 340 Q HN 0.070 8.408 8.270 0.114 0.000 0.450 341 S N 3.839 119.618 115.700 0.132 0.000 2.558 341 S HA -0.102 4.475 4.470 -0.034 -0.127 0.288 341 S C 1.109 175.668 174.600 -0.069 0.000 1.318 341 S CA 0.267 58.447 58.200 -0.034 0.000 1.056 341 S CB 0.457 63.487 63.200 -0.284 0.000 0.853 341 S HN -0.037 8.360 8.310 0.145 0.000 0.505 342 S N 1.590 117.234 115.700 -0.094 0.000 2.522 342 S HA -0.037 4.357 4.470 -0.127 0.000 0.227 342 S C 0.749 175.338 174.600 -0.019 0.000 0.986 342 S CA 1.086 59.228 58.200 -0.095 0.000 0.929 342 S CB 0.365 63.497 63.200 -0.113 0.000 0.769 342 S HN 0.000 8.238 8.310 -0.120 0.000 0.529 343 I N 3.873 124.462 120.570 0.032 0.000 2.312 343 I HA 0.424 4.650 4.170 0.093 0.000 0.291 343 I C -2.199 174.177 176.117 0.431 0.000 1.031 343 I CA -4.133 57.246 61.300 0.131 0.000 1.293 343 I CB -0.558 37.413 38.000 -0.048 0.000 1.403 343 I HN -0.863 7.287 8.210 0.021 0.072 0.484 344 P HA 0.199 5.033 4.420 0.691 0.000 0.286 344 P C -1.516 176.027 177.300 0.405 0.000 1.321 344 P CA -0.730 62.666 63.100 0.494 0.000 0.790 344 P CB -0.064 31.849 31.700 0.353 0.000 0.897 345 A N 4.015 127.052 122.820 0.362 0.000 2.147 345 A HA 0.029 4.485 4.320 0.228 0.000 0.211 345 A C 0.023 177.581 177.584 -0.043 0.000 1.160 345 A CA 0.708 52.811 52.037 0.111 0.000 0.781 345 A CB 0.419 19.259 19.000 -0.267 0.000 0.842 345 A HN 0.519 8.909 8.150 0.400 0.000 0.475 346 L N -0.307 120.882 121.223 -0.057 0.000 2.410 346 L HA 0.674 4.677 4.340 -0.563 0.000 0.270 346 L C -1.834 174.981 176.870 -0.091 0.000 0.983 346 L CA 0.336 55.019 54.840 -0.262 0.000 0.822 346 L CB 2.731 44.618 42.059 -0.286 0.000 1.285 346 L HN -0.592 nan 8.230 nan 0.000 0.409 347 G N 2.372 111.070 108.800 -0.170 0.000 2.600 347 G HA2 0.807 4.897 3.960 -0.102 0.000 0.303 347 G HA3 0.807 4.565 3.960 -0.337 0.000 0.303 347 G C -2.473 172.275 174.900 -0.252 0.000 1.253 347 G CA -1.049 43.923 45.100 -0.213 0.000 0.974 347 G HN 0.350 8.500 8.290 -0.234 0.000 0.483 348 I N -0.334 120.077 120.570 -0.265 0.000 2.354 348 I HA 0.265 4.464 4.170 -0.194 -0.146 0.286 348 I C -1.429 174.498 176.117 -0.317 0.000 1.007 348 I CA -0.933 60.235 61.300 -0.221 0.000 1.167 348 I CB 1.840 39.757 38.000 -0.137 0.000 1.320 348 I HN 0.374 8.432 8.210 -0.254 0.000 0.458 349 D N 8.900 129.162 120.400 -0.230 0.000 2.428 349 D HA 0.084 4.683 4.640 -0.068 0.000 0.221 349 D C -1.132 175.191 176.300 0.039 0.000 1.123 349 D CA -0.826 53.141 54.000 -0.055 0.000 0.869 349 D CB -0.141 40.723 40.800 0.106 0.000 1.032 349 D HN 0.544 8.803 8.370 -0.185 0.000 0.506 350 A N 4.855 127.716 122.820 0.069 0.000 2.911 350 A HA 0.307 4.636 4.320 0.015 0.000 0.304 350 A C -0.825 176.812 177.584 0.088 0.000 1.144 350 A CA -1.042 51.012 52.037 0.029 0.000 0.988 350 A CB 0.663 19.620 19.000 -0.072 0.000 1.141 350 A HN 0.461 8.665 8.150 0.089 0.000 0.552 351 W N 2.379 123.689 121.300 0.017 0.000 2.291 351 W HA 0.191 4.827 4.660 -0.040 0.000 0.312 351 W C -2.384 174.116 176.519 -0.033 0.000 1.061 351 W CA -0.962 56.377 57.345 -0.010 0.000 1.296 351 W CB 1.503 30.977 29.460 0.023 0.000 1.223 351 W HN -0.143 8.447 8.180 0.342 -0.205 0.421 352 D N 5.098 125.385 120.400 -0.187 0.000 2.513 352 D HA 0.175 4.858 4.640 0.072 0.000 0.222 352 D C 0.022 176.248 176.300 -0.122 0.000 1.210 352 D CA -1.053 52.909 54.000 -0.063 0.000 0.825 352 D CB 0.819 41.576 40.800 -0.071 0.000 1.037 352 D HN -0.263 7.846 8.370 -0.434 0.000 0.506 353 N N -4.485 113.982 118.700 -0.388 0.000 2.984 353 N HA -0.356 4.205 4.740 -0.298 0.000 0.227 353 N C -0.569 174.792 175.510 -0.247 0.000 0.903 353 N CA 1.204 54.129 53.050 -0.209 0.000 0.995 353 N CB -1.328 37.250 38.487 0.153 0.000 1.065 353 N HN -0.112 7.752 8.380 -0.861 0.000 0.585 354 S N -0.788 114.726 115.700 -0.309 0.000 2.655 354 S HA 0.243 4.624 4.470 -0.149 0.000 0.265 354 S C 0.737 175.155 174.600 -0.303 0.000 1.240 354 S CA -0.298 57.765 58.200 -0.228 0.000 0.986 354 S CB 2.062 65.158 63.200 -0.174 0.000 0.985 354 S HN -0.329 7.965 8.310 -0.339 -0.187 0.562 355 D N -0.258 120.024 120.400 -0.197 0.000 2.310 355 D HA -0.103 4.419 4.640 -0.195 0.000 0.212 355 D C 1.096 177.268 176.300 -0.213 0.000 0.965 355 D CA 2.461 56.351 54.000 -0.183 0.000 0.879 355 D CB -0.364 40.373 40.800 -0.106 0.000 0.921 355 D HN 0.400 8.681 8.370 -0.148 0.000 0.510 356 S N -4.396 111.169 115.700 -0.224 0.000 2.575 356 S HA -0.022 4.344 4.470 -0.173 0.000 0.215 356 S C 0.356 174.790 174.600 -0.278 0.000 0.966 356 S CA -0.562 57.515 58.200 -0.205 0.000 0.911 356 S CB 0.304 63.413 63.200 -0.152 0.000 0.780 356 S HN -0.724 7.408 8.310 -0.217 0.048 0.514 357 S N 3.406 118.821 115.700 -0.475 0.000 2.552 357 S HA -0.066 4.283 4.470 -0.485 -0.170 0.289 357 S C -0.845 173.537 174.600 -0.362 0.000 1.304 357 S CA 1.408 59.210 58.200 -0.664 0.000 1.063 357 S CB 0.638 62.825 63.200 -1.687 0.000 0.848 357 S HN -0.502 7.423 8.310 -0.519 0.074 0.499 358 V N 3.306 123.185 119.914 -0.058 0.000 2.733 358 V HA 0.577 5.051 4.120 0.259 -0.199 0.306 358 V C -2.125 174.194 176.094 0.376 0.000 1.084 358 V CA -1.619 60.788 62.300 0.177 0.000 0.905 358 V CB 3.917 35.762 31.823 0.036 0.000 1.010 358 V HN -0.043 8.001 8.190 -0.059 0.111 0.424 359 F N 8.142 128.290 119.950 0.330 0.000 2.382 359 F HA 0.565 5.351 4.527 0.167 -0.159 0.361 359 F C -2.474 173.441 175.800 0.191 0.000 1.109 359 F CA -2.562 55.560 58.000 0.203 0.000 1.031 359 F CB 2.829 41.894 39.000 0.107 0.000 1.234 359 F HN 0.481 9.164 8.300 0.638 0.000 0.445 360 A N 7.964 130.761 122.820 -0.038 0.000 2.319 360 A HA 0.680 5.323 4.320 0.259 -0.167 0.310 360 A C -2.001 175.652 177.584 0.115 0.000 1.152 360 A CA -2.352 49.787 52.037 0.171 0.000 0.783 360 A CB 2.915 22.140 19.000 0.376 0.000 1.184 360 A HN 0.850 8.881 8.150 -0.198 0.000 0.474 361 E N 6.224 126.544 120.200 0.200 0.000 2.376 361 E HA -0.101 4.321 4.350 0.119 0.000 0.266 361 E C -0.827 175.942 176.600 0.281 0.000 1.009 361 E CA -0.288 56.233 56.400 0.203 0.000 0.902 361 E CB 1.295 31.146 29.700 0.251 0.000 0.972 361 E HN 0.069 8.587 8.360 0.263 0.000 0.439 362 I N 7.363 128.080 120.570 0.246 0.000 2.294 362 I HA -0.071 4.220 4.170 0.201 0.000 0.295 362 I C -1.799 174.491 176.117 0.288 0.000 1.098 362 I CA 0.050 61.491 61.300 0.236 0.000 1.277 362 I CB -0.679 37.444 38.000 0.205 0.000 1.434 362 I HN -0.291 8.032 8.210 0.188 0.000 0.498 363 A N 7.565 130.471 122.820 0.143 0.000 2.306 363 A HA 0.663 5.232 4.320 0.199 -0.129 0.314 363 A C -2.793 174.762 177.584 -0.049 0.000 1.164 363 A CA -3.415 48.690 52.037 0.114 0.000 0.822 363 A CB 1.113 20.135 19.000 0.037 0.000 1.130 363 A HN 0.306 8.447 8.150 -0.014 0.000 0.496 364 P HA 0.115 3.810 4.420 -1.405 -0.118 0.274 364 P C -1.131 175.891 177.300 -0.462 0.000 1.231 364 P CA -1.151 61.454 63.100 -0.824 0.000 0.790 364 P CB 0.985 32.202 31.700 -0.805 0.000 0.951 365 M N 0.911 120.210 119.600 -0.501 0.000 2.120 365 M HA 0.455 4.756 4.480 -0.299 0.000 0.354 365 M C -1.676 174.432 176.300 -0.319 0.000 1.287 365 M CA -3.593 51.480 55.300 -0.377 0.000 1.103 365 M CB -0.554 31.772 32.600 -0.456 0.000 1.623 365 M HN 0.078 8.335 8.290 -0.636 -0.348 0.471 366 P HA 0.140 4.470 4.420 -0.150 0.000 0.280 366 P C -2.274 174.940 177.300 -0.144 0.000 1.386 366 P CA -0.445 62.566 63.100 -0.147 0.000 0.899 366 P CB -0.995 30.648 31.700 -0.096 0.000 1.098 367 A N 3.260 125.961 122.820 -0.197 0.000 2.189 367 A HA 0.101 4.392 4.320 -0.049 0.000 0.177 367 A C 0.031 177.539 177.584 -0.126 0.000 1.745 367 A CA -0.121 51.816 52.037 -0.167 0.000 1.284 367 A CB 1.869 20.612 19.000 -0.428 0.000 1.508 367 A HN -0.385 7.427 8.150 -0.286 0.167 0.440 368 G N -2.370 106.339 108.800 -0.150 0.000 2.162 368 G HA2 -0.290 3.756 3.960 -0.064 0.000 0.260 368 G HA3 -0.290 3.645 3.960 -0.042 0.000 0.260 368 G C -0.773 174.020 174.900 -0.178 0.000 0.976 368 G CA 1.041 46.081 45.100 -0.100 0.000 0.655 368 G HN 0.139 8.286 8.290 -0.185 0.032 0.533 369 L N -3.367 117.704 121.223 -0.253 0.000 2.434 369 L HA 0.177 4.361 4.340 -0.260 0.000 0.260 369 L C -1.806 174.821 176.870 -0.406 0.000 0.983 369 L CA -2.545 52.132 54.840 -0.271 0.000 0.820 369 L CB 3.112 45.077 42.059 -0.157 0.000 1.361 369 L HN -0.688 7.309 8.230 -0.291 0.058 0.410 370 E N 0.599 120.531 120.200 -0.446 0.000 2.415 370 E HA -0.105 3.829 4.350 -0.694 0.000 0.263 370 E C 0.029 176.231 176.600 -0.663 0.000 0.995 370 E CA 0.803 56.782 56.400 -0.700 0.000 0.915 370 E CB 0.628 29.743 29.700 -0.975 0.000 0.951 370 E HN 0.104 8.239 8.360 -0.375 0.000 0.449 371 T N 0.143 114.292 114.554 -0.674 0.000 2.958 371 T HA 0.079 4.408 4.350 -0.035 0.000 0.256 371 T C 0.702 175.449 174.700 0.079 0.000 0.983 371 T CA -0.752 61.144 62.100 -0.340 0.000 0.924 371 T CB 1.441 69.760 68.868 -0.915 0.000 1.136 371 T HN 0.150 7.954 8.240 -0.727 0.000 0.506 372 W N -2.412 118.774 121.300 -0.189 0.000 2.902 372 W HA -0.402 4.241 4.660 -0.150 -0.073 0.278 372 W C -1.440 174.985 176.519 -0.157 0.000 1.066 372 W CA 1.012 58.266 57.345 -0.152 0.000 0.570 372 W CB -2.420 26.966 29.460 -0.123 0.000 2.092 372 W HN -0.093 7.967 8.180 -0.695 -0.297 1.423 373 V N -0.721 119.147 119.914 -0.076 0.000 2.546 373 V HA 0.279 4.530 4.120 -0.029 -0.148 0.284 373 V C 0.484 176.494 176.094 -0.140 0.000 1.050 373 V CA -0.382 61.861 62.300 -0.096 0.000 0.981 373 V CB 0.059 31.782 31.823 -0.168 0.000 0.990 373 V HN -0.649 7.358 8.190 -0.185 0.072 0.474 374 S N 7.297 122.928 115.700 -0.115 0.000 2.442 374 S HA 0.174 4.509 4.470 -0.226 0.000 0.297 374 S C -1.850 172.500 174.600 -0.416 0.000 1.131 374 S CA -0.313 57.748 58.200 -0.231 0.000 1.092 374 S CB 1.544 64.675 63.200 -0.116 0.000 0.998 374 S HN 0.272 8.544 8.310 -0.063 0.000 0.478 375 L N 5.850 126.748 121.223 -0.541 0.000 2.334 375 L HA 0.636 4.940 4.340 -0.282 -0.133 0.276 375 L C -2.106 174.368 176.870 -0.660 0.000 1.014 375 L CA -1.163 53.422 54.840 -0.425 0.000 0.815 375 L CB 3.633 45.566 42.059 -0.210 0.000 1.268 375 L HN 0.309 8.258 8.230 -0.469 0.000 0.428 376 Y N 1.652 121.937 120.300 -0.024 0.000 2.470 376 Y HA 0.640 5.437 4.550 0.088 -0.195 0.341 376 Y C -1.745 174.188 175.900 0.056 0.000 1.021 376 Y CA -1.916 56.191 58.100 0.011 0.000 1.025 376 Y CB 3.928 42.301 38.460 -0.145 0.000 1.266 376 Y HN 0.667 8.942 8.280 -0.008 0.000 0.448 377 L N 3.817 125.207 121.223 0.278 0.000 2.295 377 L HA 0.607 5.220 4.340 0.223 -0.139 0.281 377 L C -2.004 175.045 176.870 0.297 0.000 1.018 377 L CA -1.776 53.212 54.840 0.246 0.000 0.841 377 L CB 2.554 44.740 42.059 0.212 0.000 1.218 377 L HN -0.123 8.284 8.230 0.294 0.000 0.424 378 A N 7.363 130.362 122.820 0.299 0.000 2.309 378 A HA 0.484 5.248 4.320 0.347 -0.236 0.298 378 A C -1.705 176.031 177.584 0.253 0.000 1.165 378 A CA -1.947 50.280 52.037 0.317 0.000 0.821 378 A CB 1.947 21.159 19.000 0.353 0.000 1.102 378 A HN 0.906 9.222 8.150 0.277 0.000 0.500 379 I N 3.568 124.323 120.570 0.309 0.000 2.378 379 I HA 0.408 4.711 4.170 0.220 0.000 0.291 379 I C -0.469 175.890 176.117 0.404 0.000 0.992 379 I CA -0.830 60.650 61.300 0.301 0.000 1.154 379 I CB 1.601 39.779 38.000 0.296 0.000 1.315 379 I HN 0.305 8.728 8.210 0.355 0.000 0.448 380 T N 2.688 117.441 114.554 0.331 0.000 2.888 380 T HA 0.655 5.318 4.350 0.252 -0.162 0.288 380 T C -0.783 174.068 174.700 0.252 0.000 1.063 380 T CA -2.564 59.685 62.100 0.248 0.000 1.010 380 T CB 2.943 71.863 68.868 0.086 0.000 1.214 380 T HN -0.120 8.268 8.240 0.247 0.000 0.533 381 K N 1.487 121.883 120.400 -0.006 0.000 2.414 381 K HA 0.206 4.651 4.320 0.209 0.000 0.251 381 K C -1.611 174.998 176.600 0.016 0.000 1.037 381 K CA -0.910 55.387 56.287 0.016 0.000 0.980 381 K CB 0.675 33.017 32.500 -0.264 0.000 1.280 381 K HN 0.258 8.429 8.250 -0.132 0.000 0.451 382 N N 6.262 125.009 118.700 0.077 0.000 2.448 382 N HA 0.385 5.146 4.740 0.035 0.000 0.279 382 N C -1.195 174.369 175.510 0.090 0.000 1.025 382 N CA -3.391 49.699 53.050 0.067 0.000 0.898 382 N CB 1.738 40.278 38.487 0.089 0.000 1.303 382 N HN 0.122 8.572 8.380 0.117 0.000 0.495 383 P HA 0.103 4.570 4.420 0.077 0.000 0.237 383 P C -0.147 177.199 177.300 0.077 0.000 1.178 383 P CA 0.257 63.397 63.100 0.066 0.000 0.766 383 P CB 0.309 32.032 31.700 0.038 0.000 0.876 384 Q N 1.142 120.994 119.800 0.087 0.000 2.361 384 Q HA -0.101 4.255 4.340 0.027 0.000 0.276 384 Q C -0.540 175.602 176.000 0.237 0.000 1.022 384 Q CA 1.066 56.915 55.803 0.077 0.000 0.898 384 Q CB 0.696 29.411 28.738 -0.038 0.000 1.246 384 Q HN -0.452 8.098 8.270 0.084 -0.231 0.410 385 R N 0.583 121.214 120.500 0.217 0.000 2.795 385 R HA 0.621 5.409 4.340 0.492 -0.152 0.275 385 R C -0.186 176.339 176.300 0.375 0.000 0.981 385 R CA -2.088 54.222 56.100 0.351 0.000 0.917 385 R CB 3.117 33.536 30.300 0.199 0.000 1.202 385 R HN 0.007 8.345 8.270 0.113 0.000 0.469 386 G N -1.021 108.121 108.800 0.570 0.000 2.552 386 G HA2 0.580 4.745 3.960 0.257 0.000 0.324 386 G HA3 0.580 4.886 3.960 0.495 -0.048 0.324 386 G C -2.467 172.543 174.900 0.185 0.000 1.217 386 G CA -1.361 43.971 45.100 0.386 0.000 0.989 386 G HN 0.403 9.103 8.290 0.684 0.000 0.490 387 T N 0.537 115.094 114.554 0.006 0.000 2.886 387 T HA 0.801 5.390 4.350 0.101 -0.179 0.292 387 T C -1.469 173.127 174.700 -0.173 0.000 1.012 387 T CA -2.619 59.482 62.100 0.002 0.000 0.982 387 T CB 2.038 70.940 68.868 0.056 0.000 1.018 387 T HN 0.145 8.699 8.240 -0.032 -0.333 0.451 388 F N 6.585 126.507 119.950 -0.047 0.000 2.424 388 F HA 0.324 4.942 4.527 -0.152 -0.182 0.356 388 F C -0.166 175.630 175.800 -0.008 0.000 1.110 388 F CA 0.049 57.997 58.000 -0.087 0.000 1.161 388 F CB 0.738 39.681 39.000 -0.096 0.000 1.115 388 F HN 0.398 8.787 8.300 0.316 0.101 0.507 389 V N -1.650 118.355 119.914 0.152 0.000 2.994 389 V HA 0.374 4.591 4.120 0.162 0.000 0.318 389 V C -2.303 173.909 176.094 0.197 0.000 1.085 389 V CA -2.645 59.742 62.300 0.146 0.000 0.998 389 V CB 2.881 34.751 31.823 0.079 0.000 1.063 389 V HN 0.468 8.718 8.190 0.100 0.000 0.447 390 Y N 2.545 122.880 120.300 0.059 0.000 2.313 390 Y HA 0.081 4.784 4.550 0.059 -0.118 0.332 390 Y C -1.016 174.909 175.900 0.043 0.000 1.071 390 Y CA -0.236 57.894 58.100 0.050 0.000 1.169 390 Y CB 1.421 39.903 38.460 0.036 0.000 1.192 390 Y HN 0.419 8.869 8.280 0.284 0.000 0.487 391 D N 7.594 127.648 120.400 -0.577 0.000 2.454 391 D HA 0.173 4.634 4.640 -0.299 0.000 0.225 391 D C -0.733 175.073 176.300 -0.824 0.000 1.081 391 D CA -2.204 51.509 54.000 -0.478 0.000 0.864 391 D CB 1.175 41.830 40.800 -0.241 0.000 1.040 391 D HN 0.225 8.230 8.370 -0.608 0.000 0.517 392 A N 6.790 129.240 122.820 -0.616 0.000 2.067 392 A HA -0.205 3.805 4.320 -0.517 0.000 0.219 392 A C 0.754 178.237 177.584 -0.169 0.000 1.158 392 A CA 2.423 54.250 52.037 -0.349 0.000 0.661 392 A CB -0.377 18.639 19.000 0.027 0.000 0.801 392 A HN 0.583 8.505 8.150 -0.380 0.000 0.452 393 A N -0.139 122.593 122.820 -0.147 0.000 1.877 393 A HA -0.230 4.060 4.320 -0.049 0.000 0.216 393 A C 1.206 178.743 177.584 -0.077 0.000 1.186 393 A CA 2.499 54.489 52.037 -0.079 0.000 0.620 393 A CB -0.034 18.930 19.000 -0.061 0.000 0.822 393 A HN -0.123 8.097 8.150 -0.168 -0.171 0.443 394 T N -6.927 107.561 114.554 -0.110 0.000 3.060 394 T HA -0.094 4.227 4.350 -0.048 0.000 0.249 394 T C 0.420 175.077 174.700 -0.071 0.000 1.079 394 T CA -0.483 61.572 62.100 -0.074 0.000 1.013 394 T CB 0.981 69.815 68.868 -0.057 0.000 0.975 394 T HN -0.696 7.776 8.240 -0.150 -0.321 0.518 395 D N 0.847 121.167 120.400 -0.134 0.000 2.699 395 D HA -0.453 4.182 4.640 -0.074 -0.039 0.239 395 D C -1.866 174.451 176.300 0.028 0.000 1.136 395 D CA 1.579 55.562 54.000 -0.028 0.000 0.668 395 D CB -0.884 39.970 40.800 0.091 0.000 1.060 395 D HN -0.300 7.886 8.370 -0.215 0.056 0.429 396 R N -3.778 116.665 120.500 -0.095 0.000 2.744 396 R HA 0.450 4.997 4.340 0.113 -0.139 0.279 396 R C -1.423 174.915 176.300 0.065 0.000 0.977 396 R CA -2.630 53.494 56.100 0.040 0.000 0.906 396 R CB 3.090 33.412 30.300 0.037 0.000 1.197 396 R HN -0.788 7.320 8.270 -0.269 0.000 0.463 397 A N 3.078 126.021 122.820 0.204 0.000 2.401 397 A HA 0.667 5.346 4.320 0.256 -0.206 0.259 397 A C -0.597 177.155 177.584 0.280 0.000 1.103 397 A CA -0.887 51.303 52.037 0.256 0.000 0.789 397 A CB 0.870 20.008 19.000 0.230 0.000 1.035 397 A HN 0.465 9.099 8.150 0.201 -0.363 0.491 398 K N 2.973 123.489 120.400 0.192 0.000 2.323 398 K HA 0.246 4.720 4.320 0.257 0.000 0.259 398 K C -1.483 175.027 176.600 -0.150 0.000 0.947 398 K CA -1.726 54.632 56.287 0.117 0.000 0.819 398 K CB 2.787 35.331 32.500 0.074 0.000 1.109 398 K HN 0.312 8.650 8.250 0.147 0.000 0.429 399 L N 5.890 126.737 121.223 -0.627 0.000 2.369 399 L HA -0.011 3.794 4.340 -1.124 -0.140 0.279 399 L C -1.033 175.551 176.870 -0.476 0.000 1.108 399 L CA -0.242 53.975 54.840 -1.038 0.000 0.852 399 L CB 0.618 41.525 42.059 -1.920 0.000 1.169 399 L HN 0.511 8.282 8.230 -0.766 0.000 0.452 400 N N 5.610 124.123 118.700 -0.313 0.000 2.605 400 N HA 0.065 4.754 4.740 -0.086 0.000 0.258 400 N C -1.633 173.859 175.510 -0.029 0.000 1.156 400 N CA -0.245 52.731 53.050 -0.122 0.000 1.008 400 N CB -0.242 38.199 38.487 -0.078 0.000 1.354 400 N HN 0.068 8.230 8.380 -0.362 0.000 0.509 401 W N 5.032 126.206 121.300 -0.211 0.000 2.785 401 W HA 0.671 5.497 4.660 -0.057 -0.200 0.333 401 W C -2.144 174.345 176.519 -0.050 0.000 1.062 401 W CA -1.607 55.678 57.345 -0.100 0.000 1.233 401 W CB 4.102 33.499 29.460 -0.105 0.000 1.413 401 W HN -0.379 7.738 8.180 0.036 0.085 0.489 402 T N 0.202 114.467 114.554 -0.481 0.000 2.888 402 T HA 0.422 4.811 4.350 -0.095 -0.096 0.284 402 T C 0.728 175.206 174.700 -0.371 0.000 1.017 402 T CA -1.764 60.161 62.100 -0.290 0.000 1.022 402 T CB 3.350 72.085 68.868 -0.222 0.000 1.013 402 T HN 0.016 8.088 8.240 -0.783 -0.301 0.465 403 R N 2.548 123.008 120.500 -0.066 0.000 2.120 403 R HA -0.332 4.124 4.340 0.195 0.000 0.234 403 R C 1.572 177.849 176.300 -0.039 0.000 1.123 403 R CA 3.750 59.881 56.100 0.053 0.000 0.975 403 R CB 0.050 30.405 30.300 0.092 0.000 0.866 403 R HN 0.525 9.151 8.270 -0.020 -0.368 0.446 404 D N -2.473 117.860 120.400 -0.112 0.000 2.309 404 D HA -0.203 4.399 4.640 -0.062 0.000 0.212 404 D C 1.765 177.954 176.300 -0.185 0.000 0.968 404 D CA 2.346 56.278 54.000 -0.113 0.000 0.882 404 D CB -1.722 39.018 40.800 -0.101 0.000 0.918 404 D HN 0.391 8.670 8.370 -0.117 0.021 0.503 405 Q N -1.672 117.897 119.800 -0.385 0.000 2.437 405 Q HA -0.183 3.929 4.340 -0.380 0.000 0.210 405 Q C 0.932 176.802 176.000 -0.216 0.000 0.972 405 Q CA 2.115 57.598 55.803 -0.534 0.000 0.903 405 Q CB -0.045 27.894 28.738 -1.331 0.000 0.967 405 Q HN -0.360 7.472 8.270 -0.473 0.155 0.486 406 N N -2.025 116.689 118.700 0.025 0.000 2.336 406 N HA -0.030 4.861 4.740 0.252 0.000 0.189 406 N C 0.282 175.822 175.510 0.050 0.000 1.113 406 N CA 0.126 53.285 53.050 0.182 0.000 0.858 406 N CB 0.384 39.040 38.487 0.281 0.000 0.970 406 N HN -0.492 7.732 8.380 -0.011 0.149 0.471 407 A N 1.222 124.037 122.820 -0.008 0.000 1.908 407 A HA -0.076 4.225 4.320 -0.031 0.000 0.218 407 A C -1.323 176.235 177.584 -0.043 0.000 1.181 407 A CA 4.845 56.864 52.037 -0.031 0.000 0.627 407 A CB -2.234 16.743 19.000 -0.039 0.000 0.818 407 A HN -0.333 7.637 8.150 -0.032 0.162 0.445 408 P HA -0.162 4.228 4.420 -0.049 0.000 0.218 408 P C 0.947 178.221 177.300 -0.044 0.000 1.149 408 P CA 2.838 65.916 63.100 -0.037 0.000 0.817 408 P CB -0.635 31.052 31.700 -0.022 0.000 0.785 409 A N -1.820 120.990 122.820 -0.016 0.000 1.873 409 A HA -0.223 4.088 4.320 -0.015 0.000 0.215 409 A C 2.033 179.564 177.584 -0.088 0.000 1.186 409 A CA 3.006 55.032 52.037 -0.019 0.000 0.616 409 A CB -0.821 18.197 19.000 0.029 0.000 0.823 409 A HN -0.806 7.332 8.150 0.011 0.017 0.442 410 V N -0.606 119.229 119.914 -0.131 0.000 2.287 410 V HA -0.591 3.279 4.120 -0.416 0.000 0.248 410 V C 1.924 177.783 176.094 -0.391 0.000 1.053 410 V CA 4.343 66.445 62.300 -0.330 0.000 1.027 410 V CB -0.947 30.716 31.823 -0.267 0.000 0.646 410 V HN -0.102 8.041 8.190 -0.079 0.000 0.447 411 N N -0.607 117.962 118.700 -0.218 0.000 2.104 411 N HA -0.375 4.253 4.740 -0.187 0.000 0.190 411 N C 1.893 177.317 175.510 -0.143 0.000 1.024 411 N CA 3.559 56.508 53.050 -0.167 0.000 0.853 411 N CB -0.094 38.334 38.487 -0.098 0.000 1.008 411 N HN -0.138 8.145 8.380 -0.161 0.000 0.424 412 A N -1.095 121.652 122.820 -0.122 0.000 1.898 412 A HA -0.192 4.070 4.320 -0.097 0.000 0.216 412 A C 1.790 179.330 177.584 -0.073 0.000 1.181 412 A CA 2.877 54.855 52.037 -0.099 0.000 0.620 412 A CB -0.761 18.180 19.000 -0.098 0.000 0.819 412 A HN -0.473 7.607 8.150 -0.118 0.000 0.442 413 A N -1.134 121.647 122.820 -0.065 0.000 1.883 413 A HA -0.447 3.965 4.320 0.154 0.000 0.217 413 A C 1.447 179.126 177.584 0.157 0.000 1.186 413 A CA 3.345 55.430 52.037 0.079 0.000 0.624 413 A CB -0.782 18.273 19.000 0.091 0.000 0.822 413 A HN -0.215 7.872 8.150 -0.105 0.000 0.444 414 K N -0.696 119.619 120.400 -0.142 0.000 2.097 414 K HA -0.242 4.348 4.320 0.450 0.000 0.205 414 K C 2.013 178.721 176.600 0.180 0.000 1.050 414 K CA 2.912 59.250 56.287 0.085 0.000 0.938 414 K CB 0.080 32.455 32.500 -0.209 0.000 0.718 414 K HN -0.044 7.989 8.250 -0.361 0.000 0.442 415 A N -0.254 122.589 122.820 0.038 0.000 1.933 415 A HA -0.248 4.103 4.320 0.052 0.000 0.218 415 A C 1.859 179.437 177.584 -0.010 0.000 1.175 415 A CA 3.033 55.082 52.037 0.021 0.000 0.628 415 A CB -0.730 18.252 19.000 -0.030 0.000 0.814 415 A HN -0.410 7.727 8.150 -0.022 0.000 0.444 416 L N -1.815 119.359 121.223 -0.081 0.000 2.005 416 L HA -0.275 3.930 4.340 -0.226 0.000 0.207 416 L C 2.044 178.723 176.870 -0.318 0.000 1.072 416 L CA 3.315 57.992 54.840 -0.272 0.000 0.744 416 L CB -0.534 41.259 42.059 -0.443 0.000 0.895 416 L HN -0.719 7.474 8.230 -0.060 0.000 0.433 417 F N -2.685 117.311 119.950 0.076 0.000 2.407 417 F HA -0.303 4.194 4.527 -0.049 0.000 0.299 417 F C 2.090 177.933 175.800 0.071 0.000 1.097 417 F CA 3.646 61.692 58.000 0.078 0.000 1.422 417 F CB -0.677 38.480 39.000 0.260 0.000 1.067 417 F HN -0.220 8.151 8.300 0.120 0.000 0.539 418 D N 0.201 120.768 120.400 0.279 0.000 2.144 418 D HA -0.294 4.423 4.640 0.129 0.000 0.199 418 D C 2.400 178.727 176.300 0.045 0.000 0.984 418 D CA 3.695 57.791 54.000 0.160 0.000 0.834 418 D CB -0.638 40.273 40.800 0.185 0.000 0.955 418 D HN 0.184 8.723 8.370 0.318 0.021 0.465 419 R N -0.582 119.921 120.500 0.006 0.000 2.080 419 R HA -0.312 4.021 4.340 -0.010 0.000 0.236 419 R C 2.452 178.734 176.300 -0.031 0.000 1.137 419 R CA 3.388 59.473 56.100 -0.026 0.000 0.943 419 R CB -0.140 30.123 30.300 -0.062 0.000 0.846 419 R HN -0.791 7.481 8.270 0.002 0.000 0.431 420 I N -0.506 120.033 120.570 -0.053 0.000 2.163 420 I HA -0.552 3.598 4.170 -0.035 0.000 0.243 420 I C 1.697 177.801 176.117 -0.021 0.000 1.085 420 I CA 3.977 65.256 61.300 -0.034 0.000 1.347 420 I CB -0.369 37.611 38.000 -0.034 0.000 1.044 420 I HN -0.699 7.468 8.210 -0.070 0.000 0.408 421 N N -0.775 117.894 118.700 -0.052 0.000 2.104 421 N HA -0.289 4.392 4.740 -0.099 0.000 0.190 421 N C 2.536 178.026 175.510 -0.034 0.000 1.024 421 N CA 2.604 55.599 53.050 -0.093 0.000 0.853 421 N CB -0.368 37.989 38.487 -0.218 0.000 1.008 421 N HN -0.169 8.183 8.380 -0.048 0.000 0.424 422 K N 0.741 121.133 120.400 -0.012 0.000 2.057 422 K HA -0.303 4.028 4.320 0.018 0.000 0.207 422 K C 2.160 178.775 176.600 0.024 0.000 1.049 422 K CA 2.905 59.199 56.287 0.012 0.000 0.931 422 K CB -0.036 32.474 32.500 0.016 0.000 0.714 422 K HN -0.208 8.032 8.250 -0.015 0.000 0.440 423 A N -3.882 118.948 122.820 0.018 0.000 2.119 423 A HA -0.088 4.250 4.320 0.030 0.000 0.217 423 A C 0.399 178.016 177.584 0.055 0.000 1.153 423 A CA 2.151 54.206 52.037 0.029 0.000 0.692 423 A CB 0.058 19.067 19.000 0.015 0.000 0.799 423 A HN -0.231 7.922 8.150 0.006 0.000 0.458 424 N N -4.872 113.865 118.700 0.062 0.000 2.171 424 N HA 0.017 4.838 4.740 0.133 0.000 0.212 424 N C 0.087 175.709 175.510 0.187 0.000 1.184 424 N CA -0.223 52.892 53.050 0.107 0.000 0.888 424 N CB 2.593 41.112 38.487 0.053 0.000 1.038 424 N HN -0.659 7.573 8.380 0.040 0.172 0.517 425 G N -0.320 108.563 108.800 0.139 0.000 2.198 425 G HA2 -0.312 3.721 3.960 0.123 0.000 0.260 425 G HA3 -0.312 3.798 3.960 0.251 0.000 0.260 425 G C -0.776 174.225 174.900 0.169 0.000 1.025 425 G CA 0.673 45.882 45.100 0.182 0.000 0.769 425 G HN -0.373 7.971 8.290 0.090 0.000 0.507 426 T N -3.035 111.512 114.554 -0.012 0.000 2.948 426 T HA 0.184 4.449 4.350 -0.142 0.000 0.285 426 T C -1.086 173.545 174.700 -0.116 0.000 1.019 426 T CA -1.549 60.464 62.100 -0.146 0.000 1.013 426 T CB 2.306 71.006 68.868 -0.281 0.000 1.117 426 T HN -0.819 7.375 8.240 -0.020 0.034 0.533 427 I N -5.863 114.635 120.570 -0.120 0.000 3.067 427 I HA 0.495 4.554 4.170 -0.184 0.000 0.312 427 I C -1.745 174.268 176.117 -0.174 0.000 1.073 427 I CA -2.762 58.472 61.300 -0.110 0.000 1.016 427 I CB 3.390 41.431 38.000 0.067 0.000 1.227 427 I HN 0.104 8.242 8.210 -0.119 0.000 0.456 428 Y N -0.817 119.457 120.300 -0.043 0.000 2.457 428 Y HA -0.035 4.522 4.550 -0.212 -0.134 0.341 428 Y C 0.899 176.653 175.900 -0.243 0.000 1.240 428 Y CA 1.354 59.295 58.100 -0.265 0.000 1.437 428 Y CB 0.596 38.666 38.460 -0.650 0.000 1.328 428 Y HN 0.084 8.286 8.280 -0.130 0.000 0.588 429 R N -0.174 120.278 120.500 -0.079 0.000 2.490 429 R HA 0.047 4.406 4.340 0.032 0.000 0.280 429 R C -0.226 175.883 176.300 -0.318 0.000 1.077 429 R CA -0.622 55.422 56.100 -0.093 0.000 1.065 429 R CB 0.565 30.817 30.300 -0.080 0.000 1.003 429 R HN -0.050 8.193 8.270 -0.046 0.000 0.470 430 Y N -1.047 119.233 120.300 -0.034 0.000 2.500 430 Y HA 0.108 4.746 4.550 -0.050 -0.118 0.246 430 Y C -0.455 175.411 175.900 -0.056 0.000 1.146 430 Y CA 0.953 59.029 58.100 -0.039 0.000 1.230 430 Y CB 1.224 39.681 38.460 -0.005 0.000 1.214 430 Y HN 0.461 8.849 8.280 0.181 0.000 0.526 431 D N -1.556 118.845 120.400 0.002 0.000 2.431 431 D HA 0.162 4.802 4.640 0.000 0.000 0.213 431 D C 0.413 176.623 176.300 -0.151 0.000 1.130 431 D CA -0.174 53.803 54.000 -0.038 0.000 0.834 431 D CB -0.936 39.851 40.800 -0.023 0.000 0.985 431 D HN -0.078 8.272 8.370 -0.033 0.000 0.504 432 L N -1.574 119.439 121.223 -0.349 0.000 2.446 432 L HA -0.002 4.165 4.340 -0.289 0.000 0.219 432 L C -0.691 175.863 176.870 -0.527 0.000 1.116 432 L CA 1.482 56.007 54.840 -0.525 0.000 0.844 432 L CB 0.115 41.675 42.059 -0.832 0.000 0.970 432 L HN -0.329 7.660 8.230 -0.400 0.000 0.457 433 F N -3.542 116.395 119.950 -0.021 0.000 2.881 433 F HA 0.073 4.566 4.527 -0.056 0.000 0.343 433 F C -0.335 175.420 175.800 -0.076 0.000 1.233 433 F CA -1.061 56.909 58.000 -0.049 0.000 1.262 433 F CB 0.039 39.016 39.000 -0.038 0.000 0.980 433 F HN -0.415 7.690 8.300 -0.229 0.058 0.506 434 G N -0.584 108.206 108.800 -0.017 0.000 2.479 434 G HA2 -0.185 3.655 3.960 -0.201 0.000 0.686 434 G HA3 -0.185 3.750 3.960 -0.041 0.000 0.686 434 G C -1.147 173.734 174.900 -0.032 0.000 1.295 434 G CA -0.783 44.269 45.100 -0.080 0.000 0.922 434 G HN -0.699 7.555 8.290 -0.059 0.000 0.582 435 T N -3.568 110.965 114.554 -0.034 0.000 3.023 435 T HA -0.208 4.140 4.350 -0.004 0.000 0.266 435 T C 0.863 175.573 174.700 0.016 0.000 1.093 435 T CA 0.502 62.598 62.100 -0.006 0.000 1.129 435 T CB 0.135 69.000 68.868 -0.004 0.000 0.899 435 T HN -0.033 8.176 8.240 -0.052 0.000 0.491 436 Q N 1.386 121.203 119.800 0.028 0.000 2.421 436 Q HA 0.008 4.010 4.340 -0.563 0.000 0.255 436 Q C -0.616 175.429 176.000 0.075 0.000 1.013 436 Q CA -0.871 54.961 55.803 0.048 0.000 0.895 436 Q CB 0.384 29.154 28.738 0.055 0.000 1.271 436 Q HN -0.149 nan 8.270 nan 0.000 0.460 437 L N 1.669 122.940 121.223 0.078 0.000 2.433 437 L HA -0.034 4.571 4.340 0.159 -0.170 0.275 437 L C 0.163 177.158 176.870 0.207 0.000 1.128 437 L CA 0.047 54.968 54.840 0.135 0.000 0.875 437 L CB 0.246 42.337 42.059 0.053 0.000 1.171 437 L HN 0.150 8.413 8.230 0.055 0.000 0.463 438 K N 5.686 126.242 120.400 0.260 0.000 2.651 438 K HA 0.190 4.645 4.320 0.226 0.000 0.259 438 K C -1.565 175.104 176.600 0.115 0.000 1.017 438 K CA -0.524 55.893 56.287 0.218 0.000 0.897 438 K CB 3.103 35.724 32.500 0.202 0.000 1.262 438 K HN 0.202 8.503 8.250 0.265 0.108 0.460 439 A N 3.372 126.098 122.820 -0.157 0.000 2.081 439 A HA 0.155 4.296 4.320 -0.571 -0.163 0.214 439 A C -1.505 175.674 177.584 -0.674 0.000 1.158 439 A CA 0.763 52.384 52.037 -0.694 0.000 0.724 439 A CB 0.900 19.013 19.000 -1.479 0.000 0.826 439 A HN 0.342 8.456 8.150 -0.060 0.000 0.463 440 F N -3.413 116.519 119.950 -0.030 0.000 2.460 440 F HA 0.545 5.398 4.527 -0.077 -0.372 0.341 440 F C -0.844 174.863 175.800 -0.155 0.000 1.130 440 F CA -2.306 55.645 58.000 -0.081 0.000 0.962 440 F CB 2.718 41.666 39.000 -0.086 0.000 1.171 440 F HN -0.649 7.621 8.300 -0.050 0.000 0.436 441 A N 3.808 126.434 122.820 -0.323 0.000 2.354 441 A HA 0.051 4.182 4.320 -0.314 0.000 0.281 441 A C -1.204 176.409 177.584 0.048 0.000 1.174 441 A CA -0.315 51.472 52.037 -0.416 0.000 0.828 441 A CB 0.694 19.028 19.000 -1.111 0.000 1.099 441 A HN 0.547 8.432 8.150 -0.442 0.000 0.516 442 D N 0.080 120.543 120.400 0.105 0.000 2.556 442 D HA 0.113 4.809 4.640 0.094 0.000 0.237 442 D C -1.165 175.225 176.300 0.149 0.000 1.296 442 D CA -1.021 53.052 54.000 0.122 0.000 0.807 442 D CB 1.479 42.350 40.800 0.119 0.000 1.084 442 D HN 0.240 8.657 8.370 0.078 0.000 0.510 443 D N -4.228 116.284 120.400 0.186 0.000 2.760 443 D HA 0.102 4.860 4.640 0.198 0.000 0.314 443 D C -1.805 174.641 176.300 0.243 0.000 1.464 443 D CA -0.754 53.365 54.000 0.199 0.000 0.797 443 D CB -0.948 39.968 40.800 0.192 0.000 1.149 443 D HN -0.400 8.109 8.370 0.232 0.000 0.455 444 F N -2.730 117.250 119.950 0.049 0.000 2.640 444 F HA 1.134 5.987 4.527 0.202 -0.205 0.324 444 F C -2.151 173.675 175.800 0.045 0.000 1.077 444 F CA -2.264 55.800 58.000 0.107 0.000 0.965 444 F CB 3.382 42.422 39.000 0.066 0.000 1.351 444 F HN -0.779 7.578 8.300 0.095 0.000 0.487 445 C N -3.148 116.086 119.300 -0.110 0.000 3.284 445 C HA 0.323 4.165 4.460 -1.140 -0.067 0.338 445 C C -1.886 173.285 174.990 0.303 0.000 1.237 445 C CA -1.397 57.382 59.018 -0.399 0.000 1.276 445 C CB 2.388 29.956 27.740 -0.287 0.000 1.601 445 C HN 0.160 8.596 8.230 0.342 0.000 0.494 446 Y N -0.704 119.611 120.300 0.025 0.000 2.481 446 Y HA 0.087 4.805 4.550 0.281 0.000 0.258 446 Y C -0.006 176.041 175.900 0.246 0.000 1.103 446 Y CA -0.372 57.814 58.100 0.144 0.000 1.287 446 Y CB 2.319 40.812 38.460 0.055 0.000 1.108 446 Y HN -0.144 8.296 8.280 -0.159 -0.255 0.529 447 H N -1.575 117.625 119.070 0.216 0.000 2.317 447 H HA 0.359 4.997 4.556 0.137 0.000 0.231 447 H C -2.774 172.561 175.328 0.012 0.000 1.442 447 H CA -3.878 52.231 56.048 0.103 0.000 1.336 447 H CB 0.492 30.276 29.762 0.036 0.000 1.533 447 H HN -0.846 7.650 8.280 0.078 -0.170 0.522 448 P HA 0.042 4.458 4.420 -0.005 0.000 0.276 448 P C -2.101 175.226 177.300 0.045 0.000 1.235 448 P CA -0.003 63.223 63.100 0.209 0.000 0.772 448 P CB 0.782 32.837 31.700 0.593 0.000 0.871 449 L N 2.074 123.116 121.223 -0.302 0.000 2.438 449 L HA 0.368 4.828 4.340 -0.036 -0.142 0.270 449 L C -0.658 176.089 176.870 -0.205 0.000 0.972 449 L CA -0.900 53.830 54.840 -0.184 0.000 0.831 449 L CB 3.145 45.092 42.059 -0.187 0.000 1.273 449 L HN 0.041 7.824 8.230 -0.745 0.000 0.405 450 G N 1.818 110.643 108.800 0.042 0.000 2.483 450 G HA2 -0.308 4.074 3.960 0.087 0.000 0.521 450 G HA3 -0.308 3.890 3.960 0.096 -0.180 0.521 450 G C -0.920 174.185 174.900 0.340 0.000 1.278 450 G CA -0.217 44.964 45.100 0.135 0.000 0.965 450 G HN 0.420 8.751 8.290 0.069 0.000 0.504 451 G N -3.392 105.602 108.800 0.323 0.000 2.313 451 G HA2 -0.393 3.872 3.960 0.390 0.000 0.215 451 G HA3 -0.393 3.721 3.960 0.257 0.000 0.215 451 G C -1.450 173.526 174.900 0.126 0.000 1.023 451 G CA 0.734 46.008 45.100 0.289 0.000 0.626 451 G HN -0.234 8.218 8.290 0.269 0.000 0.503 452 C N 1.357 120.707 119.300 0.084 0.000 3.370 452 C HA 0.337 4.822 4.460 0.042 0.000 0.190 452 C C -1.066 173.945 174.990 0.034 0.000 1.647 452 C CA -0.745 58.297 59.018 0.041 0.000 1.277 452 C CB -0.403 27.343 27.740 0.010 0.000 2.037 452 C HN -0.178 8.039 8.230 0.096 0.072 0.537 453 V N 2.312 122.250 119.914 0.040 0.000 2.655 453 V HA -0.164 4.118 4.120 0.010 -0.156 0.300 453 V C -0.032 176.059 176.094 -0.004 0.000 1.044 453 V CA 0.401 62.710 62.300 0.015 0.000 1.095 453 V CB 0.324 32.157 31.823 0.017 0.000 0.952 453 V HN 0.123 8.345 8.190 0.054 0.000 0.485 454 L N 7.260 128.467 121.223 -0.027 0.000 2.584 454 L HA -0.283 4.039 4.340 -0.029 0.000 0.272 454 L C 0.565 177.406 176.870 -0.048 0.000 1.195 454 L CA 1.469 56.282 54.840 -0.044 0.000 0.920 454 L CB -0.248 41.763 42.059 -0.080 0.000 1.173 454 L HN -0.007 8.098 8.230 -0.033 0.105 0.489 455 G N 4.553 113.334 108.800 -0.032 0.000 2.199 455 G HA2 -0.357 3.632 3.960 -0.018 0.000 0.254 455 G HA3 -0.357 3.579 3.960 -0.040 0.000 0.254 455 G C -0.493 174.402 174.900 -0.009 0.000 0.982 455 G CA 0.851 45.935 45.100 -0.026 0.000 0.632 455 G HN -0.114 8.164 8.290 -0.021 0.000 0.529 456 K N -0.422 119.977 120.400 -0.002 0.000 2.353 456 K HA 0.189 4.514 4.320 0.008 0.000 0.206 456 K C 0.076 176.688 176.600 0.019 0.000 1.191 456 K CA 0.221 56.513 56.287 0.009 0.000 0.897 456 K CB 1.463 33.969 32.500 0.011 0.000 1.283 456 K HN -0.216 7.950 8.250 -0.004 0.082 0.477 457 A N -2.160 120.674 122.820 0.023 0.000 2.123 457 A HA 0.146 4.659 4.320 0.030 -0.175 0.214 457 A C -0.670 176.929 177.584 0.026 0.000 1.152 457 A CA 1.067 53.120 52.037 0.027 0.000 0.728 457 A CB 1.574 20.591 19.000 0.028 0.000 0.814 457 A HN -0.391 7.772 8.150 0.021 0.000 0.464 458 T N -7.633 106.935 114.554 0.023 0.000 2.864 458 T HA 0.702 5.189 4.350 0.036 -0.116 0.289 458 T C -1.430 173.290 174.700 0.034 0.000 1.082 458 T CA -3.227 58.892 62.100 0.032 0.000 1.009 458 T CB 2.874 71.763 68.868 0.035 0.000 1.234 458 T HN -0.808 7.342 8.240 0.018 0.100 0.526 459 D N -1.091 119.344 120.400 0.058 0.000 2.398 459 D HA -0.100 4.568 4.640 0.048 0.000 0.264 459 D C 1.289 177.610 176.300 0.036 0.000 1.263 459 D CA -0.931 53.110 54.000 0.068 0.000 1.037 459 D CB 0.601 41.472 40.800 0.118 0.000 1.101 459 D HN 0.036 8.449 8.370 0.072 0.000 0.551 460 D N -3.473 116.933 120.400 0.010 0.000 2.363 460 D HA -0.128 4.417 4.640 -0.159 0.000 0.226 460 D C -0.378 175.650 176.300 -0.453 0.000 1.020 460 D CA 2.156 56.040 54.000 -0.193 0.000 0.892 460 D CB -0.559 40.092 40.800 -0.249 0.000 0.900 460 D HN 0.400 8.811 8.370 0.069 0.000 0.531 461 Y N -2.831 117.479 120.300 0.016 0.000 2.641 461 Y HA 0.232 4.965 4.550 -0.019 -0.194 0.248 461 Y C 0.196 176.114 175.900 0.030 0.000 1.170 461 Y CA -1.467 56.636 58.100 0.005 0.000 1.201 461 Y CB 1.050 39.510 38.460 0.001 0.000 1.232 461 Y HN -0.390 8.226 8.280 0.166 -0.236 0.537 462 G N -1.094 107.780 108.800 0.124 0.000 2.141 462 G HA2 -0.421 3.583 3.960 0.072 0.000 0.242 462 G HA3 -0.421 3.744 3.960 0.118 -0.134 0.242 462 G C -0.632 174.370 174.900 0.170 0.000 0.982 462 G CA -0.076 45.094 45.100 0.117 0.000 0.662 462 G HN -0.546 7.842 8.290 0.083 -0.048 0.527 463 R N 0.558 121.181 120.500 0.205 0.000 2.370 463 R HA 0.127 4.707 4.340 0.175 -0.135 0.309 463 R C 0.074 176.404 176.300 0.050 0.000 1.059 463 R CA -0.163 56.033 56.100 0.160 0.000 0.981 463 R CB 0.332 30.742 30.300 0.183 0.000 0.972 463 R HN -0.319 8.334 8.270 0.214 -0.255 0.437 464 V N 5.421 125.321 119.914 -0.023 0.000 2.540 464 V HA -0.249 3.879 4.120 0.013 0.000 0.297 464 V C -0.225 175.900 176.094 0.052 0.000 1.024 464 V CA 1.072 63.373 62.300 0.002 0.000 1.105 464 V CB -0.572 31.221 31.823 -0.051 0.000 0.938 464 V HN 0.113 8.245 8.190 -0.097 0.000 0.482 465 A N 7.792 130.645 122.820 0.054 0.000 2.511 465 A HA -0.153 4.184 4.320 0.028 0.000 0.242 465 A C 0.360 177.975 177.584 0.051 0.000 1.069 465 A CA 1.482 53.543 52.037 0.041 0.000 0.763 465 A CB 0.062 19.079 19.000 0.029 0.000 1.001 465 A HN -0.014 8.164 8.150 0.046 0.000 0.498 466 G N 2.141 110.912 108.800 -0.049 0.000 2.213 466 G HA2 -0.223 3.588 3.960 -0.248 0.000 0.226 466 G HA3 -0.223 3.735 3.960 -0.253 -0.151 0.226 466 G C -0.820 173.722 174.900 -0.596 0.000 0.992 466 G CA 0.247 45.191 45.100 -0.260 0.000 0.632 466 G HN 0.343 8.606 8.290 -0.045 0.000 0.511 467 Y N -0.282 120.010 120.300 -0.014 0.000 2.553 467 Y HA 0.130 4.698 4.550 0.030 0.000 0.347 467 Y C -1.159 174.727 175.900 -0.023 0.000 1.019 467 Y CA -0.797 57.307 58.100 0.008 0.000 1.032 467 Y CB 3.029 41.502 38.460 0.022 0.000 1.284 467 Y HN -0.776 7.458 8.280 0.029 0.064 0.466 468 K N 2.437 122.930 120.400 0.156 0.000 2.138 468 K HA 0.200 4.533 4.320 0.022 0.000 0.263 468 K C -0.463 176.171 176.600 0.057 0.000 0.965 468 K CA -0.502 55.826 56.287 0.068 0.000 0.868 468 K CB 1.849 34.384 32.500 0.058 0.000 1.083 468 K HN 0.446 8.826 8.250 0.217 0.000 0.443 469 N N -1.608 117.018 118.700 -0.124 0.000 2.747 469 N HA -0.372 4.186 4.740 -0.304 0.000 0.249 469 N C -2.062 173.066 175.510 -0.636 0.000 1.107 469 N CA 0.487 53.403 53.050 -0.224 0.000 0.707 469 N CB -0.436 38.164 38.487 0.188 0.000 1.054 469 N HN 0.511 8.824 8.380 -0.112 0.000 0.555 470 L N -1.958 118.675 121.223 -0.983 0.000 2.372 470 L HA 0.680 4.640 4.340 -0.886 -0.152 0.274 470 L C -2.153 174.171 176.870 -0.910 0.000 0.988 470 L CA -0.569 53.733 54.840 -0.898 0.000 0.833 470 L CB 2.651 44.318 42.059 -0.652 0.000 1.236 470 L HN -0.657 7.006 8.230 -0.878 0.040 0.410 471 Y N 4.034 124.118 120.300 -0.360 0.000 2.462 471 Y HA 0.598 5.209 4.550 -0.180 -0.169 0.346 471 Y C -1.065 174.745 175.900 -0.150 0.000 0.976 471 Y CA -2.395 55.538 58.100 -0.278 0.000 1.044 471 Y CB 4.119 42.273 38.460 -0.511 0.000 1.230 471 Y HN 0.734 8.691 8.280 -0.538 0.000 0.455 472 V N 0.739 120.706 119.914 0.089 0.000 2.555 472 V HA 0.417 4.714 4.120 0.062 -0.139 0.302 472 V C -0.275 175.879 176.094 0.101 0.000 1.038 472 V CA -1.132 61.208 62.300 0.067 0.000 0.887 472 V CB 2.648 34.483 31.823 0.020 0.000 0.991 472 V HN 0.476 8.730 8.190 0.107 0.000 0.434 473 T N -0.129 114.482 114.554 0.095 0.000 3.043 473 T HA 0.253 4.652 4.350 0.082 0.000 0.272 473 T C -0.662 174.062 174.700 0.040 0.000 0.990 473 T CA -1.320 60.830 62.100 0.083 0.000 0.897 473 T CB 1.050 69.987 68.868 0.114 0.000 1.111 473 T HN 0.345 8.635 8.240 0.083 0.000 0.529 474 D N -0.191 120.233 120.400 0.040 0.000 2.784 474 D HA 0.107 4.773 4.640 0.044 0.000 0.256 474 D C 0.967 177.292 176.300 0.041 0.000 1.129 474 D CA -1.202 52.825 54.000 0.044 0.000 1.102 474 D CB 1.218 42.049 40.800 0.052 0.000 1.330 474 D HN -0.879 7.516 8.370 0.042 0.000 0.626 475 G N -1.891 106.944 108.800 0.059 0.000 2.498 475 G HA2 -0.324 3.656 3.960 0.033 0.000 0.219 475 G HA3 -0.324 3.679 3.960 0.071 0.000 0.219 475 G C 1.212 176.147 174.900 0.060 0.000 1.119 475 G CA 1.738 46.871 45.100 0.054 0.000 0.766 475 G HN 0.327 8.661 8.290 0.074 0.000 0.552 476 S N 3.792 119.531 115.700 0.066 0.000 2.387 476 S HA -0.292 4.450 4.470 0.110 -0.207 0.230 476 S C 2.288 176.917 174.600 0.049 0.000 1.035 476 S CA 3.397 61.639 58.200 0.069 0.000 1.014 476 S CB -0.573 62.648 63.200 0.035 0.000 0.836 476 S HN -0.346 8.225 8.310 0.060 -0.225 0.466 477 L N -1.395 119.842 121.223 0.024 0.000 2.201 477 L HA -0.065 4.706 4.340 0.006 -0.428 0.212 477 L C 0.686 177.544 176.870 -0.020 0.000 1.105 477 L CA 1.540 56.381 54.840 0.002 0.000 0.775 477 L CB 0.127 42.181 42.059 -0.008 0.000 0.913 477 L HN -0.474 7.723 8.230 0.025 0.048 0.440 478 I N -1.340 119.216 120.570 -0.023 0.000 2.441 478 I HA 0.097 4.219 4.170 -0.079 0.000 0.287 478 I C -1.317 174.763 176.117 -0.063 0.000 1.049 478 I CA -3.304 57.961 61.300 -0.057 0.000 1.381 478 I CB -1.305 36.664 38.000 -0.052 0.000 1.409 478 I HN -0.824 7.294 8.210 -0.007 0.088 0.523 479 P HA 0.227 4.625 4.420 -0.036 0.000 0.220 479 P C -0.232 177.027 177.300 -0.069 0.000 1.806 479 P CA -0.700 62.361 63.100 -0.064 0.000 0.976 479 P CB -1.513 30.142 31.700 -0.075 0.000 1.952 480 G N 0.064 108.800 108.800 -0.108 0.000 2.225 480 G HA2 -0.492 3.527 3.960 -0.309 0.000 0.254 480 G HA3 -0.492 3.385 3.960 -0.139 0.000 0.254 480 G C -1.998 172.818 174.900 -0.139 0.000 0.988 480 G CA 0.774 45.766 45.100 -0.180 0.000 0.625 480 G HN 0.361 8.504 8.290 -0.109 0.082 0.527 481 S N -2.909 112.760 115.700 -0.050 0.000 2.548 481 S HA 0.336 4.988 4.470 0.021 -0.169 0.278 481 S C 0.840 175.490 174.600 0.083 0.000 1.150 481 S CA -0.293 57.939 58.200 0.054 0.000 0.907 481 S CB 1.449 64.772 63.200 0.205 0.000 1.108 481 S HN -0.874 7.252 8.310 -0.061 0.148 0.459 482 V N 8.222 128.173 119.914 0.061 0.000 3.392 482 V HA 0.447 4.229 4.120 -0.563 0.000 0.294 482 V C -1.166 174.857 176.094 -0.118 0.000 1.561 482 V CA -0.847 61.485 62.300 0.055 0.000 1.056 482 V CB 0.060 31.858 31.823 -0.042 0.000 0.882 482 V HN 0.525 nan 8.190 nan 0.000 0.440 483 G N -0.229 108.312 108.800 -0.431 0.000 2.179 483 G HA2 -0.217 2.653 3.960 -1.817 0.000 0.260 483 G HA3 -0.217 2.496 3.960 -2.078 0.000 0.260 483 G C -1.332 172.899 174.900 -1.115 0.000 0.977 483 G CA 0.725 44.957 45.100 -1.447 0.000 0.641 483 G HN -0.292 8.026 8.290 -0.220 -0.160 0.533 484 V N -7.536 111.962 119.914 -0.692 0.000 3.202 484 V HA 0.252 3.809 4.120 -0.937 0.000 0.306 484 V C -2.316 173.539 176.094 -0.398 0.000 1.283 484 V CA -2.819 59.031 62.300 -0.751 0.000 1.065 484 V CB 2.368 33.668 31.823 -0.871 0.000 1.079 484 V HN -0.977 6.833 8.190 -0.504 0.077 0.448 485 N N 1.213 119.719 118.700 -0.322 0.000 2.412 485 N HA -0.004 4.396 4.740 -0.567 0.000 0.258 485 N C -0.551 174.666 175.510 -0.488 0.000 1.236 485 N CA 0.456 53.258 53.050 -0.414 0.000 0.882 485 N CB 0.342 38.673 38.487 -0.260 0.000 1.066 485 N HN 0.076 8.290 8.380 -0.277 0.000 0.465 486 P HA 0.144 4.405 4.420 -0.264 0.000 0.245 486 P C 0.219 177.363 177.300 -0.261 0.000 1.203 486 P CA 1.062 63.972 63.100 -0.315 0.000 0.792 486 P CB 0.659 32.216 31.700 -0.238 0.000 0.997 487 F N -1.936 117.796 119.950 -0.363 0.000 2.234 487 F HA -0.173 4.012 4.527 -0.571 0.000 0.299 487 F C 1.055 176.619 175.800 -0.393 0.000 1.087 487 F CA 2.178 59.820 58.000 -0.595 0.000 1.340 487 F CB -1.563 36.715 39.000 -1.204 0.000 1.031 487 F HN -0.041 7.965 8.300 -0.489 0.000 0.500 488 V N 1.273 121.053 119.914 -0.223 0.000 2.343 488 V HA -0.437 3.784 4.120 0.168 0.000 0.247 488 V C 2.068 178.238 176.094 0.125 0.000 1.051 488 V CA 4.456 66.773 62.300 0.028 0.000 1.036 488 V CB -1.031 30.765 31.823 -0.044 0.000 0.654 488 V HN 0.073 7.929 8.190 -0.556 0.000 0.451 489 T N 2.992 117.608 114.554 0.103 0.000 2.708 489 T HA -0.388 4.145 4.350 0.305 0.000 0.266 489 T C 2.268 176.980 174.700 0.019 0.000 1.037 489 T CA 5.063 67.263 62.100 0.167 0.000 1.146 489 T CB -0.251 68.723 68.868 0.176 0.000 0.865 489 T HN -0.825 7.415 8.240 -0.000 0.000 0.435 490 I N 1.547 122.109 120.570 -0.013 0.000 2.163 490 I HA -0.567 3.593 4.170 -0.017 0.000 0.243 490 I C 1.734 177.833 176.117 -0.030 0.000 1.085 490 I CA 4.449 65.737 61.300 -0.021 0.000 1.347 490 I CB -0.421 37.570 38.000 -0.015 0.000 1.044 490 I HN -0.369 7.822 8.210 -0.032 0.000 0.408 491 T N 1.908 116.457 114.554 -0.008 0.000 2.708 491 T HA -0.436 3.887 4.350 -0.045 0.000 0.266 491 T C 1.741 176.395 174.700 -0.077 0.000 1.037 491 T CA 5.063 67.156 62.100 -0.010 0.000 1.146 491 T CB -0.238 68.703 68.868 0.121 0.000 0.865 491 T HN -0.263 7.978 8.240 0.002 0.000 0.435 492 A N 1.988 124.727 122.820 -0.135 0.000 1.898 492 A HA -0.174 4.034 4.320 -0.185 0.000 0.216 492 A C 1.651 179.022 177.584 -0.354 0.000 1.181 492 A CA 2.904 54.751 52.037 -0.318 0.000 0.620 492 A CB -0.509 17.975 19.000 -0.860 0.000 0.819 492 A HN -0.122 7.969 8.150 -0.098 0.000 0.442 493 L N -0.438 120.614 121.223 -0.285 0.000 2.046 493 L HA -0.244 3.936 4.340 -0.267 0.000 0.208 493 L C 1.694 178.441 176.870 -0.205 0.000 1.077 493 L CA 2.596 57.304 54.840 -0.219 0.000 0.747 493 L CB -0.464 41.538 42.059 -0.095 0.000 0.896 493 L HN -0.124 7.961 8.230 -0.242 0.000 0.432 494 A N -1.428 121.299 122.820 -0.154 0.000 1.933 494 A HA -0.388 3.871 4.320 -0.101 0.000 0.218 494 A C 2.063 179.543 177.584 -0.174 0.000 1.175 494 A CA 3.386 55.343 52.037 -0.133 0.000 0.628 494 A CB -0.869 18.061 19.000 -0.116 0.000 0.814 494 A HN -0.065 8.004 8.150 -0.136 0.000 0.444 495 E N -1.641 118.443 120.200 -0.195 0.000 2.051 495 E HA -0.373 3.920 4.350 -0.094 0.000 0.192 495 E C 2.469 178.805 176.600 -0.439 0.000 0.991 495 E CA 3.244 59.542 56.400 -0.170 0.000 0.799 495 E CB -0.278 29.428 29.700 0.010 0.000 0.748 495 E HN -0.354 7.897 8.360 -0.181 0.000 0.449 496 R N -0.772 119.202 120.500 -0.877 0.000 2.083 496 R HA -0.415 2.640 4.340 -2.141 0.000 0.237 496 R C 2.064 178.138 176.300 -0.376 0.000 1.137 496 R CA 3.648 59.017 56.100 -1.219 0.000 0.951 496 R CB -0.107 29.625 30.300 -0.947 0.000 0.851 496 R HN -0.235 7.596 8.270 -0.732 0.000 0.434 497 N N -1.030 117.560 118.700 -0.185 0.000 2.106 497 N HA -0.220 4.666 4.740 0.244 0.000 0.188 497 N C 1.842 177.330 175.510 -0.037 0.000 1.029 497 N CA 2.870 55.939 53.050 0.031 0.000 0.848 497 N CB -0.353 38.151 38.487 0.027 0.000 1.007 497 N HN -0.158 8.079 8.380 -0.239 0.000 0.423 498 V N 0.865 120.724 119.914 -0.090 0.000 2.515 498 V HA -0.383 3.685 4.120 -0.087 0.000 0.250 498 V C 0.993 177.021 176.094 -0.110 0.000 1.058 498 V CA 2.922 65.160 62.300 -0.104 0.000 1.064 498 V CB -0.313 31.424 31.823 -0.145 0.000 0.675 498 V HN -0.103 8.018 8.190 -0.114 0.000 0.461 499 E N 0.558 120.703 120.200 -0.092 0.000 2.077 499 E HA -0.431 3.895 4.350 -0.041 0.000 0.193 499 E C 1.953 178.509 176.600 -0.074 0.000 0.989 499 E CA 3.787 60.161 56.400 -0.044 0.000 0.800 499 E CB -0.191 29.541 29.700 0.053 0.000 0.746 499 E HN -0.556 7.735 8.360 -0.114 0.000 0.452 500 R N -0.969 119.461 120.500 -0.117 0.000 2.075 500 R HA -0.195 4.034 4.340 -0.186 0.000 0.232 500 R C 2.366 178.534 176.300 -0.219 0.000 1.126 500 R CA 2.171 58.134 56.100 -0.228 0.000 0.963 500 R CB -0.663 29.322 30.300 -0.525 0.000 0.858 500 R HN -0.813 7.394 8.270 -0.104 0.000 0.435 501 I N -0.680 119.771 120.570 -0.198 0.000 2.226 501 I HA -0.504 3.556 4.170 -0.183 0.000 0.245 501 I C 1.811 177.822 176.117 -0.176 0.000 1.100 501 I CA 4.396 65.568 61.300 -0.213 0.000 1.374 501 I CB -0.014 37.764 38.000 -0.371 0.000 1.057 501 I HN -0.248 7.857 8.210 -0.175 0.000 0.413 502 I N -1.176 119.300 120.570 -0.157 0.000 2.179 502 I HA -0.620 3.448 4.170 -0.170 0.000 0.242 502 I C 2.128 178.186 176.117 -0.098 0.000 1.088 502 I CA 4.235 65.451 61.300 -0.139 0.000 1.357 502 I CB -0.448 37.477 38.000 -0.125 0.000 1.051 502 I HN -0.116 8.003 8.210 -0.151 0.000 0.409 503 K N -0.402 119.947 120.400 -0.085 0.000 2.032 503 K HA -0.366 3.927 4.320 -0.046 0.000 0.209 503 K C 2.068 178.636 176.600 -0.052 0.000 1.048 503 K CA 2.938 59.189 56.287 -0.060 0.000 0.927 503 K CB -0.027 32.439 32.500 -0.057 0.000 0.712 503 K HN -0.642 7.553 8.250 -0.093 0.000 0.441 504 Q N -3.724 116.034 119.800 -0.069 0.000 2.302 504 Q HA -0.025 4.296 4.340 -0.032 0.000 0.202 504 Q C 1.363 177.363 176.000 -0.000 0.000 0.936 504 Q CA 1.696 57.473 55.803 -0.044 0.000 0.886 504 Q CB 0.671 29.366 28.738 -0.072 0.000 0.986 504 Q HN -0.324 7.889 8.270 -0.095 0.000 0.487 505 D N -3.608 116.793 120.400 0.003 0.000 2.473 505 D HA 0.161 4.866 4.640 0.109 0.000 0.230 505 D C -0.406 175.949 176.300 0.093 0.000 1.097 505 D CA 0.850 54.900 54.000 0.083 0.000 0.861 505 D CB 2.258 43.151 40.800 0.154 0.000 1.114 505 D HN -0.034 8.313 8.370 -0.037 0.000 0.500 506 V N -0.389 119.504 119.914 -0.036 0.000 2.547 506 V HA 0.109 4.166 4.120 -0.106 0.000 0.299 506 V C 0.098 176.195 176.094 0.005 0.000 1.040 506 V CA -1.387 60.831 62.300 -0.137 0.000 0.913 506 V CB 1.093 32.681 31.823 -0.392 0.000 0.992 506 V HN -0.729 7.427 8.190 -0.056 0.000 0.449 507 T N 8.243 122.872 114.554 0.125 0.000 2.767 507 T HA 0.188 4.589 4.350 0.084 0.000 0.284 507 T C -0.362 174.414 174.700 0.126 0.000 0.973 507 T CA -0.430 61.750 62.100 0.134 0.000 0.996 507 T CB 1.037 70.019 68.868 0.190 0.000 0.927 507 T HN -0.110 8.285 8.240 0.259 0.000 0.456 508 A N 0.000 122.862 122.820 0.070 0.000 2.254 508 A HA 0.000 4.350 4.320 0.050 0.000 0.244 508 A CA 0.000 52.074 52.037 0.062 0.000 0.836 508 A CB 0.000 19.020 19.000 0.034 0.000 0.831 508 A HN 0.000 8.180 8.150 0.050 0.000 0.486