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 1n4w_1_A DATA FIRST_RESID 9 DATA SEQUENCE GYVPAVVIGT GYGAAVSALR LGEAGVQTLM LEMGQLWNQP GPDGNIFCGM DATA SEQUENCE LNPDKRSSWF KNRTEAPLGS FLWLDVVNRN IDPYAGVLDR VNYDQMSVYV DATA SEQUENCE GRGVGGGSLV NGGMAVEPKR SYFEEILPRV DSSEMYDRYF PRANSMLRVN DATA SEQUENCE HIDTKWFEDT EWYKFARVSR EQAGKAGLGT VFVPNVYDFG YMQREAAGEV DATA SEQUENCE PKSALATEVI YGNNHGKQSL DKTYLAAALG TGKVTIQTLH QVKTIRQTKD DATA SEQUENCE GGYALTVEQK DTDGKLLATK EISCRYLFLG AGSLGSTELL VRARDTGTLP DATA SEQUENCE NLNSEVGAGW GPNGNIMTAR ANHMWNPTGA HQSSIPALGI DAWDNSDSSV DATA SEQUENCE FAEIAPMPAG LETWVSLYLA ITKNPQRGTF VYDAATDRAK LNWTRDQNAP DATA SEQUENCE AVNAAKALFD RINKANGTIY RYDLFGTQLK AFADDFCYHP LGGCVLGKAT DATA SEQUENCE DDYGRVAGYK NLYVTDGSLI PGSVGVNPFV TITALAERNV ERIIKQDVT 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 4.001 3.960 0.068 0.000 0.244 9 G C 0.000 174.961 174.900 0.101 0.000 0.946 9 G CA 0.000 45.144 45.100 0.074 0.000 0.502 10 Y N 2.199 122.507 120.300 0.013 0.000 2.299 10 Y HA 0.705 5.510 4.550 0.018 -0.244 0.326 10 Y C -1.138 174.775 175.900 0.022 0.000 1.164 10 Y CA -0.954 57.155 58.100 0.015 0.000 1.234 10 Y CB 1.731 40.194 38.460 0.005 0.000 1.219 10 Y HN -0.005 8.417 8.280 0.236 0.000 0.497 11 V N 7.103 126.517 119.914 -0.834 0.000 2.888 11 V HA 0.554 4.274 4.120 -0.667 0.000 0.309 11 V C -2.635 172.917 176.094 -0.903 0.000 1.114 11 V CA -4.218 57.642 62.300 -0.733 0.000 0.940 11 V CB 3.508 35.164 31.823 -0.278 0.000 1.021 11 V HN 0.365 8.168 8.190 -0.645 0.000 0.426 12 P HA -0.136 4.187 4.420 -0.163 0.000 0.214 12 P C -1.591 175.762 177.300 0.089 0.000 1.163 12 P CA 2.122 65.127 63.100 -0.158 0.000 0.889 12 P CB 0.541 32.290 31.700 0.082 0.000 0.790 13 A N -6.255 116.643 122.820 0.129 0.000 2.365 13 A HA 0.897 5.668 4.320 0.385 -0.221 0.318 13 A C -2.080 175.583 177.584 0.131 0.000 1.091 13 A CA -1.764 50.434 52.037 0.268 0.000 0.763 13 A CB 3.347 22.528 19.000 0.302 0.000 1.248 13 A HN -0.420 7.759 8.150 0.048 0.000 0.442 14 V N 2.273 122.303 119.914 0.193 0.000 2.555 14 V HA 0.817 5.174 4.120 0.060 -0.200 0.302 14 V C -1.309 174.896 176.094 0.185 0.000 1.038 14 V CA -2.267 60.104 62.300 0.118 0.000 0.887 14 V CB 3.323 35.192 31.823 0.076 0.000 0.991 14 V HN 0.157 8.513 8.190 0.277 0.000 0.434 15 V N 7.011 126.980 119.914 0.092 0.000 2.448 15 V HA 0.552 4.986 4.120 0.180 -0.206 0.295 15 V C -0.869 175.253 176.094 0.046 0.000 1.025 15 V CA -1.615 60.738 62.300 0.088 0.000 0.859 15 V CB 2.271 34.087 31.823 -0.012 0.000 0.988 15 V HN 0.539 8.755 8.190 0.043 0.000 0.431 16 I N 6.154 126.756 120.570 0.054 0.000 2.325 16 I HA 0.126 4.308 4.170 0.020 0.000 0.291 16 I C -0.218 175.904 176.117 0.010 0.000 1.019 16 I CA -0.478 60.837 61.300 0.024 0.000 1.302 16 I CB -0.293 37.715 38.000 0.015 0.000 1.401 16 I HN 0.458 8.718 8.210 0.083 0.000 0.485 17 G N 7.754 116.552 108.800 -0.002 0.000 2.707 17 G HA2 -0.265 3.804 3.960 -0.018 0.000 0.686 17 G HA3 -0.265 3.860 3.960 -0.017 -0.176 0.686 17 G C -1.540 173.341 174.900 -0.031 0.000 1.315 17 G CA -0.099 44.991 45.100 -0.017 0.000 0.832 17 G HN 0.593 8.884 8.290 0.002 0.000 0.573 18 T N -4.241 110.285 114.554 -0.047 0.000 3.541 18 T HA 0.266 4.568 4.350 -0.080 0.000 0.309 18 T C -0.771 173.854 174.700 -0.125 0.000 0.973 18 T CA -1.675 60.381 62.100 -0.074 0.000 0.993 18 T CB 1.126 69.962 68.868 -0.053 0.000 1.206 18 T HN -0.133 8.157 8.240 -0.044 -0.077 0.489 19 G N 0.186 108.915 108.800 -0.119 0.000 2.504 19 G HA2 0.009 3.956 3.960 -0.286 0.000 0.257 19 G HA3 0.009 3.915 3.960 -0.089 0.000 0.257 19 G C -0.108 174.640 174.900 -0.253 0.000 1.451 19 G CA -0.878 44.109 45.100 -0.189 0.000 1.059 19 G HN -0.820 7.423 8.290 -0.077 0.000 0.550 20 Y N 0.061 120.290 120.300 -0.119 0.000 2.114 20 Y HA -0.410 3.999 4.550 -0.235 0.000 0.284 20 Y C 2.234 178.011 175.900 -0.204 0.000 1.143 20 Y CA 4.427 62.420 58.100 -0.179 0.000 1.135 20 Y CB -0.550 37.841 38.460 -0.115 0.000 0.980 20 Y HN 0.244 8.551 8.280 0.046 0.000 0.499 21 G N -3.561 105.256 108.800 0.028 0.000 2.418 21 G HA2 -0.342 3.585 3.960 -0.055 0.000 0.217 21 G HA3 -0.342 3.744 3.960 0.004 -0.124 0.217 21 G C 0.475 175.325 174.900 -0.084 0.000 1.158 21 G CA 2.209 47.291 45.100 -0.031 0.000 0.771 21 G HN 0.252 8.597 8.290 0.092 0.000 0.545 22 A N 1.574 124.349 122.820 -0.075 0.000 1.877 22 A HA -0.326 3.952 4.320 -0.071 0.000 0.216 22 A C 1.567 179.060 177.584 -0.153 0.000 1.186 22 A CA 2.765 54.747 52.037 -0.092 0.000 0.620 22 A CB -0.715 18.245 19.000 -0.067 0.000 0.822 22 A HN -0.072 8.045 8.150 -0.054 0.000 0.443 23 A N -1.341 121.364 122.820 -0.193 0.000 1.898 23 A HA -0.260 3.980 4.320 -0.134 0.000 0.216 23 A C 1.850 179.293 177.584 -0.235 0.000 1.181 23 A CA 2.653 54.574 52.037 -0.195 0.000 0.620 23 A CB -0.479 18.387 19.000 -0.224 0.000 0.819 23 A HN -0.104 7.924 8.150 -0.202 0.000 0.442 24 V N -1.481 118.173 119.914 -0.434 0.000 2.287 24 V HA -0.491 3.371 4.120 -0.430 0.000 0.248 24 V C 2.063 178.036 176.094 -0.200 0.000 1.053 24 V CA 3.880 65.934 62.300 -0.409 0.000 1.027 24 V CB -0.900 30.660 31.823 -0.438 0.000 0.646 24 V HN -0.336 7.582 8.190 -0.453 0.000 0.447 25 S N 0.396 115.955 115.700 -0.235 0.000 2.353 25 S HA -0.398 3.885 4.470 -0.312 0.000 0.222 25 S C 1.850 176.240 174.600 -0.351 0.000 1.035 25 S CA 4.092 62.094 58.200 -0.329 0.000 1.025 25 S CB -0.642 62.322 63.200 -0.394 0.000 0.902 25 S HN -0.598 7.575 8.310 -0.229 0.000 0.440 26 A N 1.165 123.827 122.820 -0.265 0.000 1.933 26 A HA -0.256 3.905 4.320 -0.266 0.000 0.218 26 A C 1.637 179.140 177.584 -0.136 0.000 1.175 26 A CA 2.872 54.783 52.037 -0.210 0.000 0.628 26 A CB -0.579 18.336 19.000 -0.142 0.000 0.814 26 A HN -0.174 7.837 8.150 -0.232 0.000 0.444 27 L N -0.853 120.327 121.223 -0.071 0.000 1.989 27 L HA -0.352 3.975 4.340 -0.022 0.000 0.211 27 L C 1.776 178.618 176.870 -0.048 0.000 1.071 27 L CA 3.096 57.927 54.840 -0.014 0.000 0.749 27 L CB -0.413 41.712 42.059 0.110 0.000 0.890 27 L HN -0.394 7.797 8.230 -0.065 0.000 0.431 28 R N -2.321 118.136 120.500 -0.071 0.000 2.092 28 R HA -0.216 4.095 4.340 -0.048 0.000 0.231 28 R C 3.004 179.230 176.300 -0.124 0.000 1.119 28 R CA 1.142 57.193 56.100 -0.081 0.000 0.970 28 R CB -0.852 29.399 30.300 -0.082 0.000 0.864 28 R HN -0.547 7.675 8.270 -0.081 0.000 0.440 29 L N -1.101 120.006 121.223 -0.193 0.000 2.012 29 L HA -0.366 3.858 4.340 -0.194 0.000 0.210 29 L C 1.966 178.765 176.870 -0.118 0.000 1.073 29 L CA 3.258 57.979 54.840 -0.198 0.000 0.748 29 L CB -0.656 41.228 42.059 -0.291 0.000 0.891 29 L HN 0.140 8.229 8.230 -0.234 0.000 0.431 30 G N -2.723 106.016 108.800 -0.101 0.000 2.418 30 G HA2 -0.351 3.573 3.960 -0.059 0.000 0.217 30 G HA3 -0.351 3.572 3.960 -0.061 0.000 0.217 30 G C 1.892 176.762 174.900 -0.050 0.000 1.158 30 G CA 1.771 46.831 45.100 -0.065 0.000 0.771 30 G HN -0.094 8.127 8.290 -0.115 0.000 0.545 31 E N 2.609 122.779 120.200 -0.050 0.000 2.204 31 E HA -0.257 4.073 4.350 -0.032 0.000 0.194 31 E C 1.391 177.969 176.600 -0.037 0.000 0.989 31 E CA 2.003 58.380 56.400 -0.038 0.000 0.824 31 E CB -0.035 29.645 29.700 -0.033 0.000 0.756 31 E HN -0.220 8.105 8.360 -0.057 0.000 0.477 32 A N -3.323 119.468 122.820 -0.049 0.000 2.238 32 A HA 0.062 4.360 4.320 -0.036 0.000 0.208 32 A C 0.090 177.656 177.584 -0.031 0.000 1.177 32 A CA 0.015 52.025 52.037 -0.045 0.000 0.804 32 A CB -0.011 18.948 19.000 -0.068 0.000 0.823 32 A HN -0.394 7.592 8.150 -0.062 0.126 0.482 33 G N -2.250 106.534 108.800 -0.027 0.000 2.136 33 G HA2 -0.383 3.570 3.960 -0.011 0.000 0.242 33 G HA3 -0.383 3.575 3.960 -0.003 0.000 0.242 33 G C -0.889 174.011 174.900 0.001 0.000 0.989 33 G CA -0.028 45.066 45.100 -0.010 0.000 0.682 33 G HN -0.467 7.611 8.290 -0.034 0.192 0.522 34 V N 1.879 121.786 119.914 -0.013 0.000 2.368 34 V HA -0.043 4.106 4.120 0.049 0.000 0.266 34 V C -0.999 175.097 176.094 0.003 0.000 1.045 34 V CA -0.863 61.445 62.300 0.013 0.000 0.899 34 V CB 0.327 32.145 31.823 -0.009 0.000 1.006 34 V HN -0.387 7.743 8.190 -0.034 0.039 0.470 35 Q N 9.766 129.575 119.800 0.016 0.000 2.255 35 Q HA -0.038 4.481 4.340 -0.019 -0.190 0.280 35 Q C -0.752 175.236 176.000 -0.021 0.000 1.068 35 Q CA 0.424 56.221 55.803 -0.010 0.000 0.911 35 Q CB 0.221 28.952 28.738 -0.013 0.000 1.157 35 Q HN 0.690 8.981 8.270 0.035 0.000 0.380 36 T N 8.745 123.276 114.554 -0.039 0.000 2.881 36 T HA 0.610 5.172 4.350 -0.023 -0.225 0.290 36 T C -2.255 172.413 174.700 -0.053 0.000 1.000 36 T CA -0.798 61.276 62.100 -0.043 0.000 0.978 36 T CB 2.595 71.421 68.868 -0.071 0.000 0.997 36 T HN 0.495 8.710 8.240 -0.042 0.000 0.443 37 L N 7.442 128.636 121.223 -0.049 0.000 2.305 37 L HA 0.645 5.245 4.340 -0.065 -0.299 0.284 37 L C -2.417 174.425 176.870 -0.046 0.000 1.013 37 L CA -1.509 53.296 54.840 -0.058 0.000 0.819 37 L CB 3.008 45.026 42.059 -0.068 0.000 1.227 37 L HN 0.611 8.819 8.230 -0.035 0.000 0.417 38 M N 6.017 125.583 119.600 -0.057 0.000 2.209 38 M HA 0.616 5.306 4.480 -0.031 -0.229 0.355 38 M C -1.189 175.080 176.300 -0.053 0.000 1.171 38 M CA -0.667 54.605 55.300 -0.046 0.000 1.069 38 M CB 1.851 34.420 32.600 -0.051 0.000 1.622 38 M HN 0.795 9.046 8.290 -0.065 0.000 0.459 39 L N 2.524 123.731 121.223 -0.027 0.000 2.298 39 L HA 0.616 5.074 4.340 -0.047 -0.147 0.284 39 L C -1.517 175.365 176.870 0.019 0.000 1.013 39 L CA -1.162 53.672 54.840 -0.010 0.000 0.824 39 L CB 1.225 43.298 42.059 0.023 0.000 1.221 39 L HN 0.529 8.751 8.230 -0.013 0.000 0.418 40 E N 4.296 124.516 120.200 0.033 0.000 2.176 40 E HA 0.456 4.821 4.350 0.024 0.000 0.267 40 E C -0.332 176.321 176.600 0.089 0.000 0.893 40 E CA -1.681 54.743 56.400 0.041 0.000 0.761 40 E CB 2.965 32.682 29.700 0.028 0.000 1.133 40 E HN 0.275 8.651 8.360 0.027 0.000 0.409 41 M N 4.718 124.359 119.600 0.069 0.000 2.319 41 M HA 0.053 4.715 4.480 0.163 -0.083 0.265 41 M C 0.311 176.747 176.300 0.226 0.000 1.068 41 M CA 2.240 57.618 55.300 0.129 0.000 1.118 41 M CB 0.590 33.236 32.600 0.076 0.000 1.395 41 M HN 0.526 8.832 8.290 0.026 0.000 0.435 42 G N -1.982 106.901 108.800 0.138 0.000 2.525 42 G HA2 0.125 4.397 3.960 0.520 0.000 0.287 42 G HA3 0.125 4.301 3.960 0.237 -0.074 0.287 42 G C -2.068 172.934 174.900 0.171 0.000 1.350 42 G CA -1.805 43.459 45.100 0.272 0.000 1.039 42 G HN -0.295 8.370 8.290 0.053 -0.342 0.513 43 Q N -2.481 117.370 119.800 0.086 0.000 2.260 43 Q HA 0.069 4.322 4.340 -0.145 0.000 0.238 43 Q C -1.090 174.805 176.000 -0.174 0.000 0.948 43 Q CA -0.979 54.692 55.803 -0.219 0.000 0.895 43 Q CB 2.153 30.443 28.738 -0.747 0.000 1.218 43 Q HN 0.350 8.749 8.270 0.216 0.000 0.470 44 L N 1.289 122.404 121.223 -0.180 0.000 2.315 44 L HA 0.078 4.435 4.340 0.028 0.000 0.283 44 L C -1.019 175.734 176.870 -0.194 0.000 1.089 44 L CA -0.019 54.768 54.840 -0.087 0.000 0.833 44 L CB 0.208 42.229 42.059 -0.063 0.000 1.170 44 L HN 0.268 8.394 8.230 -0.172 0.000 0.442 45 W N 7.743 129.042 121.300 -0.001 0.000 2.247 45 W HA -0.017 4.591 4.660 -0.086 0.000 0.394 45 W C -1.369 175.047 176.519 -0.172 0.000 0.939 45 W CA 0.002 57.297 57.345 -0.083 0.000 1.548 45 W CB -1.022 28.440 29.460 0.003 0.000 1.610 45 W HN 0.415 8.780 8.180 0.308 0.000 0.336 46 N N -1.260 117.406 118.700 -0.058 0.000 2.110 46 N HA 0.041 4.735 4.740 -0.076 0.000 0.230 46 N C -1.147 174.312 175.510 -0.085 0.000 1.353 46 N CA -0.085 52.924 53.050 -0.069 0.000 0.807 46 N CB 1.253 39.713 38.487 -0.045 0.000 1.244 46 N HN -0.468 7.836 8.380 -0.126 0.000 0.504 47 Q N 0.164 119.903 119.800 -0.101 0.000 2.337 47 Q HA 0.526 4.825 4.340 -0.067 0.000 0.266 47 Q C -2.293 173.670 176.000 -0.062 0.000 1.023 47 Q CA -3.168 52.587 55.803 -0.080 0.000 0.829 47 Q CB 0.746 29.431 28.738 -0.088 0.000 1.306 47 Q HN -0.244 7.954 8.270 -0.120 0.000 0.449 48 P HA -0.160 4.361 4.420 -0.036 -0.122 0.268 48 P C -0.813 176.476 177.300 -0.019 0.000 1.204 48 P CA -0.035 63.047 63.100 -0.030 0.000 0.768 48 P CB 0.422 32.110 31.700 -0.020 0.000 0.842 49 G N 2.824 111.622 108.800 -0.003 0.000 2.535 49 G HA2 0.239 4.187 3.960 -0.020 0.000 0.282 49 G HA3 0.239 4.206 3.960 0.012 0.000 0.282 49 G C -0.711 174.181 174.900 -0.013 0.000 1.350 49 G CA -1.640 43.457 45.100 -0.005 0.000 1.039 49 G HN 0.380 8.560 8.290 0.002 0.111 0.509 50 P HA -0.111 4.293 4.420 -0.026 0.000 0.226 50 P C -1.494 175.802 177.300 -0.006 0.000 1.146 50 P CA 1.849 64.936 63.100 -0.023 0.000 0.773 50 P CB 0.010 31.688 31.700 -0.035 0.000 0.772 51 D N -6.579 113.824 120.400 0.005 0.000 2.431 51 D HA -0.012 4.637 4.640 0.015 0.000 0.213 51 D C 0.969 177.283 176.300 0.023 0.000 1.130 51 D CA -1.020 52.990 54.000 0.018 0.000 0.834 51 D CB -0.840 39.978 40.800 0.030 0.000 0.985 51 D HN -0.467 7.844 8.370 0.005 0.061 0.504 52 G N -0.212 108.597 108.800 0.015 0.000 2.205 52 G HA2 -0.478 3.487 3.960 0.008 0.000 0.261 52 G HA3 -0.478 3.496 3.960 0.023 0.000 0.261 52 G C -0.564 174.347 174.900 0.018 0.000 0.980 52 G CA 0.459 45.569 45.100 0.016 0.000 0.632 52 G HN 0.004 8.041 8.290 0.007 0.257 0.533 53 N N -0.227 118.486 118.700 0.021 0.000 2.430 53 N HA 0.400 5.140 4.740 -0.001 0.000 0.298 53 N C -0.069 175.425 175.510 -0.026 0.000 1.130 53 N CA -1.531 51.525 53.050 0.010 0.000 0.894 53 N CB 1.921 40.438 38.487 0.051 0.000 1.209 53 N HN -0.467 8.135 8.380 0.026 -0.207 0.503 54 I N 1.085 121.582 120.570 -0.121 0.000 2.202 54 I HA -0.172 4.272 4.170 -0.131 -0.353 0.242 54 I C 0.662 176.658 176.117 -0.201 0.000 1.091 54 I CA 3.626 64.776 61.300 -0.250 0.000 1.368 54 I CB 0.954 38.625 38.000 -0.548 0.000 1.058 54 I HN -0.044 8.165 8.210 -0.136 -0.081 0.410 55 F N -2.636 117.361 119.950 0.079 0.000 2.492 55 F HA 0.239 4.782 4.527 0.028 0.000 0.327 55 F C -0.540 175.287 175.800 0.045 0.000 1.079 55 F CA -0.969 57.046 58.000 0.025 0.000 0.967 55 F CB 1.887 40.851 39.000 -0.061 0.000 1.169 55 F HN -0.475 8.145 8.300 -0.021 -0.333 0.472 56 C N 0.522 119.974 119.300 0.253 0.000 2.605 56 C HA 0.125 4.676 4.460 0.151 0.000 0.404 56 C C 0.003 175.144 174.990 0.252 0.000 1.284 56 C CA -1.771 57.355 59.018 0.181 0.000 2.199 56 C CB 0.634 28.422 27.740 0.080 0.000 2.647 56 C HN 0.363 8.740 8.230 0.246 0.000 0.604 57 G N 0.441 109.362 108.800 0.201 0.000 2.588 57 G HA2 0.388 4.446 3.960 0.164 0.000 0.281 57 G HA3 0.388 4.461 3.960 0.135 -0.032 0.281 57 G C -0.865 174.196 174.900 0.268 0.000 1.236 57 G CA -1.489 43.724 45.100 0.188 0.000 0.969 57 G HN -0.159 8.630 8.290 0.159 -0.404 0.504 58 M N -1.627 118.057 119.600 0.140 0.000 2.492 58 M HA -0.116 4.562 4.480 0.330 0.000 0.262 58 M C 0.639 177.031 176.300 0.154 0.000 1.090 58 M CA 3.129 58.513 55.300 0.140 0.000 1.110 58 M CB 0.371 32.935 32.600 -0.061 0.000 1.407 58 M HN 0.223 8.553 8.290 0.067 0.000 0.470 59 L N -4.289 117.000 121.223 0.110 0.000 2.607 59 L HA 0.062 4.453 4.340 0.085 0.000 0.228 59 L C -0.218 176.702 176.870 0.083 0.000 1.123 59 L CA 0.255 55.146 54.840 0.086 0.000 0.890 59 L CB -0.172 41.924 42.059 0.063 0.000 1.103 59 L HN -0.079 8.178 8.230 0.100 0.032 0.468 60 N N -3.346 115.414 118.700 0.100 0.000 2.642 60 N HA 0.242 5.014 4.740 0.053 0.000 0.308 60 N C -2.509 173.036 175.510 0.058 0.000 1.914 60 N CA -2.771 50.320 53.050 0.069 0.000 0.893 60 N CB 0.233 38.755 38.487 0.059 0.000 1.322 60 N HN -0.686 7.616 8.380 0.128 0.155 0.490 61 P HA -0.063 4.297 4.420 -0.101 0.000 0.269 61 P C -1.227 176.027 177.300 -0.077 0.000 1.209 61 P CA 0.320 63.386 63.100 -0.057 0.000 0.776 61 P CB 0.565 32.228 31.700 -0.061 0.000 0.876 62 D N 0.329 120.653 120.400 -0.127 0.000 2.958 62 D HA 0.083 4.669 4.640 -0.089 0.000 0.306 62 D C 0.015 176.236 176.300 -0.131 0.000 1.226 62 D CA -1.388 52.549 54.000 -0.106 0.000 1.032 62 D CB 0.981 41.731 40.800 -0.083 0.000 1.400 62 D HN -0.447 7.818 8.370 -0.176 0.000 0.587 63 K N -2.835 117.476 120.400 -0.148 0.000 2.280 63 K HA -0.268 3.997 4.320 -0.092 0.000 0.202 63 K C 2.421 179.013 176.600 -0.012 0.000 1.047 63 K CA 2.887 59.089 56.287 -0.141 0.000 0.942 63 K CB -0.395 31.934 32.500 -0.286 0.000 0.739 63 K HN 0.276 8.427 8.250 -0.165 0.000 0.457 64 R N -1.221 119.280 120.500 0.002 0.000 2.241 64 R HA -0.265 4.453 4.340 0.630 0.000 0.224 64 R C 1.967 178.351 176.300 0.139 0.000 1.101 64 R CA 2.678 58.955 56.100 0.295 0.000 0.995 64 R CB -0.265 30.222 30.300 0.312 0.000 0.870 64 R HN -0.333 8.096 8.270 -0.085 -0.209 0.463 65 S N -1.722 113.898 115.700 -0.133 0.000 2.453 65 S HA -0.125 4.065 4.470 -0.466 0.000 0.231 65 S C 0.080 174.601 174.600 -0.131 0.000 1.005 65 S CA 2.418 60.342 58.200 -0.459 0.000 0.949 65 S CB 0.333 62.852 63.200 -1.135 0.000 0.774 65 S HN -0.241 7.811 8.310 -0.154 0.166 0.510 66 S N 0.528 116.245 115.700 0.028 0.000 2.571 66 S HA 0.306 5.054 4.470 0.155 -0.185 0.284 66 S C -1.534 173.160 174.600 0.157 0.000 1.128 66 S CA -0.297 57.967 58.200 0.105 0.000 0.970 66 S CB 3.049 66.276 63.200 0.045 0.000 1.039 66 S HN -0.732 7.554 8.310 0.061 0.060 0.485 67 W N 7.640 128.963 121.300 0.039 0.000 2.507 67 W HA -0.011 4.712 4.660 -0.099 -0.122 0.334 67 W C -1.195 175.375 176.519 0.084 0.000 1.165 67 W CA -0.179 57.184 57.345 0.030 0.000 1.460 67 W CB 0.378 29.927 29.460 0.149 0.000 1.404 67 W HN 0.263 8.680 8.180 0.395 0.000 0.435 68 F N 4.829 124.622 119.950 -0.262 0.000 2.866 68 F HA -0.451 4.024 4.527 -0.202 -0.069 0.254 68 F C -1.622 174.145 175.800 -0.053 0.000 1.009 68 F CA 0.972 58.827 58.000 -0.241 0.000 0.907 68 F CB -2.212 36.526 39.000 -0.437 0.000 0.859 68 F HN 0.323 8.010 8.300 -1.022 0.000 0.842 69 K N -1.948 118.479 120.400 0.045 0.000 2.350 69 K HA 0.263 4.634 4.320 0.084 0.000 0.241 69 K C -0.674 175.948 176.600 0.037 0.000 0.994 69 K CA -2.277 54.050 56.287 0.066 0.000 0.839 69 K CB 2.372 34.918 32.500 0.076 0.000 1.244 69 K HN -0.558 7.678 8.250 -0.024 0.000 0.443 70 N N -1.221 117.505 118.700 0.044 0.000 2.203 70 N HA 0.056 4.985 4.740 0.021 -0.175 0.207 70 N C -0.443 175.084 175.510 0.027 0.000 1.130 70 N CA -0.745 52.323 53.050 0.031 0.000 0.861 70 N CB 0.813 39.320 38.487 0.034 0.000 1.005 70 N HN 0.302 8.713 8.380 0.052 0.000 0.507 71 R N -0.827 119.695 120.500 0.036 0.000 2.594 71 R HA 0.369 4.880 4.340 0.025 -0.155 0.265 71 R C -1.996 174.332 176.300 0.048 0.000 1.070 71 R CA -0.743 55.380 56.100 0.039 0.000 0.909 71 R CB 2.849 33.182 30.300 0.055 0.000 1.243 71 R HN -0.830 7.412 8.270 0.043 0.054 0.455 72 T N 3.056 117.630 114.554 0.034 0.000 2.856 72 T HA -0.010 4.355 4.350 0.025 0.000 0.306 72 T C -0.140 174.625 174.700 0.109 0.000 1.062 72 T CA -0.072 62.051 62.100 0.039 0.000 1.083 72 T CB 1.241 70.107 68.868 -0.003 0.000 0.984 72 T HN 0.085 8.338 8.240 0.022 0.000 0.542 73 E N 1.644 121.941 120.200 0.163 0.000 2.288 73 E HA 0.231 4.720 4.350 0.233 0.000 0.268 73 E C -1.511 175.254 176.600 0.275 0.000 0.885 73 E CA -1.625 54.916 56.400 0.235 0.000 0.767 73 E CB 3.755 33.614 29.700 0.264 0.000 1.220 73 E HN 0.105 8.557 8.360 0.153 0.000 0.427 74 A N 3.128 126.118 122.820 0.283 0.000 2.407 74 A HA 0.126 4.577 4.320 0.218 0.000 0.248 74 A C -2.010 175.713 177.584 0.232 0.000 1.082 74 A CA -1.324 50.861 52.037 0.247 0.000 0.785 74 A CB -0.349 18.796 19.000 0.240 0.000 1.020 74 A HN 0.154 8.500 8.150 0.327 0.000 0.489 75 P HA -0.099 4.352 4.420 0.052 0.000 0.265 75 P C -0.489 176.870 177.300 0.098 0.000 1.193 75 P CA 0.043 63.184 63.100 0.069 0.000 0.765 75 P CB 0.405 32.092 31.700 -0.022 0.000 0.823 76 L N 3.035 124.289 121.223 0.051 0.000 2.540 76 L HA -0.453 3.969 4.340 0.136 0.000 0.276 76 L C 1.032 177.965 176.870 0.105 0.000 1.212 76 L CA 1.478 56.350 54.840 0.054 0.000 0.893 76 L CB -0.576 41.364 42.059 -0.199 0.000 1.138 76 L HN 0.421 8.656 8.230 0.010 0.000 0.491 77 G N 3.276 112.201 108.800 0.207 0.000 2.254 77 G HA2 -0.291 3.610 3.960 -0.100 0.000 0.225 77 G HA3 -0.291 3.719 3.960 0.082 0.000 0.225 77 G C -0.168 174.810 174.900 0.130 0.000 1.003 77 G CA 0.659 45.807 45.100 0.081 0.000 0.622 77 G HN 0.627 9.076 8.290 0.265 0.000 0.507 78 S N -1.280 114.539 115.700 0.199 0.000 2.629 78 S HA 0.187 4.985 4.470 0.547 0.000 0.236 78 S C 0.215 174.976 174.600 0.269 0.000 1.010 78 S CA -0.006 58.388 58.200 0.324 0.000 0.981 78 S CB 1.925 65.244 63.200 0.198 0.000 0.919 78 S HN -0.348 7.997 8.310 0.178 0.072 0.514 79 F N 5.039 125.013 119.950 0.040 0.000 2.115 79 F HA -0.420 4.119 4.527 0.020 0.000 0.300 79 F C 0.886 176.592 175.800 -0.156 0.000 1.092 79 F CA 4.456 62.441 58.000 -0.027 0.000 1.245 79 F CB 0.032 39.012 39.000 -0.033 0.000 0.995 79 F HN -0.023 8.468 8.300 0.318 0.000 0.481 80 L N -4.059 116.982 121.223 -0.303 0.000 2.265 80 L HA -0.366 3.667 4.340 -0.513 0.000 0.215 80 L C 1.323 177.663 176.870 -0.885 0.000 1.117 80 L CA 2.352 56.734 54.840 -0.763 0.000 0.782 80 L CB -0.687 40.545 42.059 -1.380 0.000 0.914 80 L HN -0.119 7.964 8.230 -0.215 0.018 0.441 81 W N -4.018 117.215 121.300 -0.112 0.000 2.871 81 W HA -0.025 4.578 4.660 -0.095 0.000 0.267 81 W C 0.815 177.263 176.519 -0.119 0.000 1.180 81 W CA 1.015 58.299 57.345 -0.102 0.000 1.463 81 W CB 1.399 30.814 29.460 -0.075 0.000 0.966 81 W HN -0.426 7.658 8.180 -0.095 0.039 0.605 82 L N -2.459 118.796 121.223 0.052 0.000 2.664 82 L HA 0.185 4.546 4.340 0.034 0.000 0.233 82 L C 1.382 178.184 176.870 -0.113 0.000 1.113 82 L CA 0.297 55.144 54.840 0.011 0.000 0.896 82 L CB -0.154 41.953 42.059 0.080 0.000 1.163 82 L HN -0.089 8.165 8.230 0.039 0.000 0.497 83 D N 2.254 122.436 120.400 -0.364 0.000 2.218 83 D HA -0.322 4.129 4.640 -0.315 0.000 0.204 83 D C 1.858 178.019 176.300 -0.232 0.000 0.976 83 D CA 3.258 56.980 54.000 -0.463 0.000 0.853 83 D CB -0.139 39.989 40.800 -1.121 0.000 0.939 83 D HN -0.562 7.522 8.370 -0.476 0.000 0.481 84 V N -1.324 118.483 119.914 -0.178 0.000 2.720 84 V HA -0.325 3.736 4.120 -0.098 0.000 0.256 84 V C 0.447 176.513 176.094 -0.046 0.000 1.082 84 V CA 2.534 64.778 62.300 -0.093 0.000 1.101 84 V CB -0.004 31.780 31.823 -0.065 0.000 0.693 84 V HN 0.115 8.158 8.190 -0.196 0.030 0.479 85 V N -4.905 114.992 119.914 -0.028 0.000 3.647 85 V HA 0.058 4.178 4.120 0.000 0.000 0.279 85 V C -0.257 175.841 176.094 0.007 0.000 1.314 85 V CA -0.908 61.393 62.300 0.001 0.000 1.125 85 V CB -1.066 30.773 31.823 0.027 0.000 0.907 85 V HN -0.697 7.435 8.190 -0.038 0.036 0.434 86 N N 1.722 120.420 118.700 -0.003 0.000 2.508 86 N HA 0.095 4.853 4.740 0.029 0.000 0.264 86 N C -0.465 175.052 175.510 0.011 0.000 1.216 86 N CA 0.929 53.990 53.050 0.018 0.000 0.943 86 N CB 0.629 39.138 38.487 0.036 0.000 1.113 86 N HN -0.553 7.638 8.380 -0.027 0.173 0.447 87 R N -1.032 119.476 120.500 0.012 0.000 2.707 87 R HA 0.178 4.522 4.340 0.007 0.000 0.272 87 R C -1.359 174.945 176.300 0.006 0.000 1.011 87 R CA -2.305 53.798 56.100 0.005 0.000 0.893 87 R CB 3.984 34.280 30.300 -0.007 0.000 1.233 87 R HN 0.165 8.444 8.270 0.015 0.000 0.464 88 N N 0.927 119.631 118.700 0.005 0.000 2.454 88 N HA 0.069 4.965 4.740 0.011 -0.150 0.254 88 N C 0.435 175.938 175.510 -0.011 0.000 1.228 88 N CA 0.635 53.688 53.050 0.004 0.000 0.900 88 N CB 0.255 38.745 38.487 0.005 0.000 1.089 88 N HN 0.223 8.606 8.380 0.006 0.000 0.449 89 I N -3.957 116.605 120.570 -0.014 0.000 2.994 89 I HA 0.355 4.499 4.170 -0.044 0.000 0.306 89 I C -1.517 174.585 176.117 -0.025 0.000 1.195 89 I CA -2.049 59.231 61.300 -0.034 0.000 1.001 89 I CB 3.824 41.795 38.000 -0.049 0.000 1.244 89 I HN 0.047 8.146 8.210 -0.003 0.109 0.437 90 D N 2.471 122.847 120.400 -0.039 0.000 2.389 90 D HA 0.103 4.742 4.640 -0.001 0.000 0.247 90 D C -1.613 174.680 176.300 -0.012 0.000 1.128 90 D CA -1.447 52.542 54.000 -0.017 0.000 0.884 90 D CB -0.499 40.286 40.800 -0.025 0.000 1.194 90 D HN 0.069 8.403 8.370 -0.059 0.000 0.441 91 P HA -0.087 4.438 4.420 -0.072 -0.148 0.263 91 P C -1.988 175.231 177.300 -0.135 0.000 1.195 91 P CA 0.168 63.263 63.100 -0.007 0.000 0.762 91 P CB 0.494 32.295 31.700 0.168 0.000 0.799 92 Y N 3.804 123.603 120.300 -0.834 0.000 2.597 92 Y HA 0.335 4.622 4.550 -0.693 -0.153 0.340 92 Y C -1.868 173.071 175.900 -1.600 0.000 1.097 92 Y CA -1.354 56.209 58.100 -0.896 0.000 1.037 92 Y CB 4.536 42.766 38.460 -0.384 0.000 1.305 92 Y HN -0.226 7.612 8.280 -0.737 0.000 0.463 93 A N 3.844 125.616 122.820 -1.747 0.000 3.029 93 A HA 0.122 3.526 4.320 -1.527 0.000 0.251 93 A C -0.794 176.604 177.584 -0.310 0.000 1.749 93 A CA -0.720 50.635 52.037 -1.136 0.000 1.386 93 A CB -2.079 16.564 19.000 -0.595 0.000 1.043 93 A HN -0.013 7.083 8.150 -1.757 0.000 0.638 94 G N -0.551 108.274 108.800 0.041 0.000 2.588 94 G HA2 0.189 4.672 3.960 0.870 0.000 0.278 94 G HA3 0.189 4.467 3.960 0.425 -0.063 0.278 94 G C -0.525 174.759 174.900 0.640 0.000 1.307 94 G CA -0.936 44.495 45.100 0.551 0.000 1.016 94 G HN -0.470 7.597 8.290 -0.244 0.077 0.503 95 V N -1.419 118.703 119.914 0.346 0.000 2.992 95 V HA 0.126 4.601 4.120 0.313 -0.168 0.250 95 V C -0.852 175.312 176.094 0.118 0.000 1.090 95 V CA 0.291 62.656 62.300 0.109 0.000 1.101 95 V CB 1.404 32.920 31.823 -0.511 0.000 0.743 95 V HN -0.157 8.169 8.190 0.227 0.000 0.468 96 L N -0.983 120.350 121.223 0.184 0.000 2.333 96 L HA 0.466 5.012 4.340 0.133 -0.127 0.280 96 L C -2.449 174.566 176.870 0.242 0.000 1.004 96 L CA -1.523 53.433 54.840 0.193 0.000 0.820 96 L CB 2.609 44.829 42.059 0.268 0.000 1.247 96 L HN -0.946 7.409 8.230 0.207 0.000 0.416 97 D N 6.808 127.314 120.400 0.176 0.000 2.414 97 D HA 0.346 5.139 4.640 0.256 0.000 0.232 97 D C -1.826 174.497 176.300 0.038 0.000 1.070 97 D CA -1.615 52.477 54.000 0.154 0.000 0.839 97 D CB 2.410 43.218 40.800 0.014 0.000 1.079 97 D HN 0.495 8.941 8.370 0.126 0.000 0.521 98 R N 6.628 127.103 120.500 -0.040 0.000 2.210 98 R HA 0.005 4.042 4.340 -0.691 -0.111 0.338 98 R C -1.462 174.709 176.300 -0.216 0.000 1.062 98 R CA 0.020 55.891 56.100 -0.382 0.000 0.902 98 R CB 0.287 30.345 30.300 -0.404 0.000 1.050 98 R HN 0.495 8.801 8.270 0.059 0.000 0.461 99 V N 8.732 128.506 119.914 -0.234 0.000 2.364 99 V HA 0.129 4.130 4.120 -0.199 0.000 0.272 99 V C -1.730 174.150 176.094 -0.357 0.000 1.036 99 V CA -1.363 60.788 62.300 -0.248 0.000 0.880 99 V CB 0.525 32.221 31.823 -0.212 0.000 0.991 99 V HN 0.658 8.693 8.190 -0.260 0.000 0.460 100 N N 7.703 126.199 118.700 -0.340 0.000 2.426 100 N HA 0.163 4.800 4.740 -0.172 0.000 0.257 100 N C -0.859 174.428 175.510 -0.373 0.000 1.002 100 N CA -0.606 52.294 53.050 -0.250 0.000 0.942 100 N CB 1.010 39.430 38.487 -0.111 0.000 1.112 100 N HN 0.378 8.588 8.380 -0.283 0.000 0.499 101 Y N 4.272 124.562 120.300 -0.017 0.000 2.593 101 Y HA 0.080 4.619 4.550 -0.018 0.000 0.330 101 Y C 1.214 177.115 175.900 0.002 0.000 1.223 101 Y CA -0.844 57.240 58.100 -0.025 0.000 1.350 101 Y CB 1.798 40.205 38.460 -0.089 0.000 1.499 101 Y HN 0.088 8.360 8.280 -0.013 0.000 0.554 102 D N -0.039 120.473 120.400 0.188 0.000 2.126 102 D HA -0.314 4.379 4.640 0.088 0.000 0.190 102 D C 0.650 177.021 176.300 0.118 0.000 1.001 102 D CA 2.896 56.964 54.000 0.113 0.000 0.841 102 D CB 0.493 41.343 40.800 0.084 0.000 0.949 102 D HN 0.575 9.075 8.370 0.216 0.000 0.446 103 Q N -4.797 115.099 119.800 0.161 0.000 2.063 103 Q HA 0.209 4.639 4.340 0.150 0.000 0.245 103 Q C -1.799 174.360 176.000 0.265 0.000 0.828 103 Q CA -1.123 54.792 55.803 0.187 0.000 1.089 103 Q CB 0.678 29.514 28.738 0.162 0.000 1.232 103 Q HN 0.274 8.652 8.270 0.180 0.000 0.445 104 M N -0.812 118.921 119.600 0.221 0.000 2.365 104 M HA 0.147 4.885 4.480 0.191 -0.144 0.288 104 M C -2.666 173.742 176.300 0.179 0.000 1.152 104 M CA -0.153 55.259 55.300 0.186 0.000 0.948 104 M CB 3.900 36.536 32.600 0.061 0.000 1.729 104 M HN -0.776 7.636 8.290 0.203 0.000 0.487 105 S N 6.564 122.370 115.700 0.177 0.000 2.530 105 S HA 0.663 5.340 4.470 0.032 -0.188 0.322 105 S C -1.372 173.340 174.600 0.185 0.000 1.085 105 S CA -0.828 57.439 58.200 0.112 0.000 1.096 105 S CB 1.368 64.632 63.200 0.106 0.000 0.988 105 S HN 0.258 8.691 8.310 0.205 0.000 0.466 106 V N 5.921 125.910 119.914 0.125 0.000 2.394 106 V HA 0.339 5.034 4.120 0.398 -0.337 0.282 106 V C -1.019 175.167 176.094 0.153 0.000 1.031 106 V CA -1.583 60.877 62.300 0.267 0.000 0.881 106 V CB 0.731 32.754 31.823 0.333 0.000 0.982 106 V HN 0.574 8.793 8.190 0.048 0.000 0.451 107 Y N 7.076 127.555 120.300 0.299 0.000 2.330 107 Y HA 0.499 5.356 4.550 0.186 -0.196 0.336 107 Y C -0.255 175.741 175.900 0.160 0.000 1.036 107 Y CA -0.928 57.308 58.100 0.227 0.000 1.125 107 Y CB 1.215 39.827 38.460 0.254 0.000 1.194 107 Y HN 0.406 9.139 8.280 0.754 0.000 0.469 108 V N -1.898 118.134 119.914 0.197 0.000 3.007 108 V HA 0.508 4.717 4.120 0.148 0.000 0.311 108 V C -2.096 174.030 176.094 0.054 0.000 1.120 108 V CA -3.204 59.168 62.300 0.119 0.000 0.980 108 V CB 3.763 35.631 31.823 0.076 0.000 1.033 108 V HN 0.203 8.488 8.190 0.158 0.000 0.429 109 G N 0.755 109.571 108.800 0.026 0.000 2.476 109 G HA2 0.273 4.395 3.960 -0.007 0.000 0.269 109 G HA3 0.273 4.377 3.960 -0.022 -0.157 0.269 109 G C -0.717 174.145 174.900 -0.063 0.000 1.195 109 G CA -0.624 44.467 45.100 -0.015 0.000 0.843 109 G HN 0.224 8.542 8.290 0.047 0.000 0.545 110 R N 2.184 122.658 120.500 -0.044 0.000 2.468 110 R HA 0.295 4.521 4.340 -0.189 0.000 0.302 110 R C -1.280 175.132 176.300 0.186 0.000 1.041 110 R CA -1.670 54.366 56.100 -0.106 0.000 0.899 110 R CB 1.266 31.327 30.300 -0.399 0.000 1.167 110 R HN 0.019 8.296 8.270 0.011 0.000 0.483 111 G N 0.651 109.554 108.800 0.172 0.000 2.356 111 G HA2 -0.006 4.225 3.960 0.350 0.000 0.300 111 G HA3 -0.006 4.320 3.960 0.610 0.000 0.300 111 G C -2.451 172.565 174.900 0.193 0.000 1.331 111 G CA 0.204 45.519 45.100 0.357 0.000 0.905 111 G HN -0.349 8.094 8.290 0.058 -0.118 0.587 112 V N 1.954 121.995 119.914 0.213 0.000 2.409 112 V HA -0.317 3.832 4.120 0.049 0.000 0.270 112 V C 0.545 176.679 176.094 0.067 0.000 1.019 112 V CA 0.797 63.156 62.300 0.098 0.000 1.066 112 V CB -2.054 29.815 31.823 0.076 0.000 1.021 112 V HN 0.046 8.406 8.190 0.285 0.000 0.476 113 G N 5.320 114.104 108.800 -0.026 0.000 2.231 113 G HA2 -0.211 3.713 3.960 -0.183 0.000 0.206 113 G HA3 -0.211 3.692 3.960 -0.094 0.000 0.206 113 G C 0.160 174.964 174.900 -0.159 0.000 0.996 113 G CA -0.424 44.604 45.100 -0.119 0.000 0.645 113 G HN 0.414 8.682 8.290 -0.038 0.000 0.498 114 G N 1.609 110.363 108.800 -0.076 0.000 2.596 114 G HA2 -0.452 3.484 3.960 -0.039 0.000 0.295 114 G HA3 -0.452 3.462 3.960 -0.076 0.000 0.295 114 G C -0.026 174.840 174.900 -0.058 0.000 1.240 114 G CA 0.312 45.373 45.100 -0.065 0.000 0.985 114 G HN -0.057 8.114 8.290 -0.027 0.103 0.555 115 G N 0.334 109.134 108.800 -0.000 0.000 2.509 115 G HA2 -0.229 3.745 3.960 0.023 0.000 0.218 115 G HA3 -0.229 3.812 3.960 0.133 0.000 0.218 115 G C 1.052 175.970 174.900 0.030 0.000 1.124 115 G CA 1.568 46.701 45.100 0.054 0.000 0.776 115 G HN 0.275 8.580 8.290 0.024 0.000 0.547 116 S N 1.264 116.917 115.700 -0.078 0.000 2.469 116 S HA -0.247 4.192 4.470 -0.052 0.000 0.238 116 S C 1.122 175.631 174.600 -0.152 0.000 0.998 116 S CA 2.887 60.991 58.200 -0.160 0.000 0.957 116 S CB -0.635 62.295 63.200 -0.449 0.000 0.764 116 S HN -0.506 7.663 8.310 -0.171 0.038 0.514 117 L N -0.931 120.196 121.223 -0.160 0.000 2.109 117 L HA -0.105 4.093 4.340 -0.237 0.000 0.207 117 L C 1.594 178.274 176.870 -0.316 0.000 1.086 117 L CA 2.412 57.106 54.840 -0.243 0.000 0.760 117 L CB 0.156 42.066 42.059 -0.247 0.000 0.910 117 L HN -0.538 7.567 8.230 -0.139 0.040 0.437 118 V N -7.130 112.657 119.914 -0.212 0.000 3.643 118 V HA 0.396 4.475 4.120 -0.288 -0.131 0.280 118 V C -0.339 175.669 176.094 -0.143 0.000 1.351 118 V CA -1.506 60.668 62.300 -0.210 0.000 1.073 118 V CB 0.309 32.038 31.823 -0.156 0.000 0.863 118 V HN -0.629 7.370 8.190 -0.148 0.102 0.436 119 N N 2.290 120.957 118.700 -0.056 0.000 2.379 119 N HA 0.050 4.784 4.740 -0.011 0.000 0.260 119 N C 1.040 176.583 175.510 0.055 0.000 1.254 119 N CA -0.087 52.983 53.050 0.033 0.000 0.958 119 N CB 0.240 38.827 38.487 0.166 0.000 1.208 119 N HN -0.630 7.719 8.380 -0.052 0.000 0.532 120 G N -1.900 106.971 108.800 0.119 0.000 2.920 120 G HA2 -0.159 3.844 3.960 0.072 0.000 0.208 120 G HA3 -0.159 3.882 3.960 0.136 0.000 0.208 120 G C 0.159 175.167 174.900 0.179 0.000 1.159 120 G CA -0.358 44.816 45.100 0.124 0.000 0.784 120 G HN 0.450 8.830 8.290 0.151 0.000 0.535 121 G N -0.995 107.971 108.800 0.276 0.000 2.184 121 G HA2 -0.414 3.859 3.960 0.417 0.000 0.264 121 G HA3 -0.414 3.874 3.960 0.247 -0.180 0.264 121 G C -0.582 174.545 174.900 0.378 0.000 0.975 121 G CA 0.416 45.729 45.100 0.355 0.000 0.642 121 G HN -0.360 8.279 8.290 0.301 -0.168 0.536 122 M N 0.183 119.896 119.600 0.190 0.000 2.184 122 M HA 0.171 4.849 4.480 0.059 -0.164 0.351 122 M C -1.113 174.943 176.300 -0.406 0.000 1.395 122 M CA 0.587 55.877 55.300 -0.018 0.000 1.117 122 M CB 0.627 33.215 32.600 -0.019 0.000 1.708 122 M HN -0.607 7.752 8.290 0.217 0.062 0.468 123 A N 6.957 129.602 122.820 -0.290 0.000 2.328 123 A HA 0.394 4.145 4.320 -0.948 0.000 0.318 123 A C -1.837 175.580 177.584 -0.279 0.000 1.347 123 A CA -1.106 50.671 52.037 -0.434 0.000 0.842 123 A CB 0.733 19.698 19.000 -0.058 0.000 1.148 123 A HN 0.384 8.364 8.150 -0.110 0.104 0.499 124 V N 3.909 123.600 119.914 -0.370 0.000 2.483 124 V HA 0.072 4.075 4.120 -0.194 0.000 0.297 124 V C -0.895 175.042 176.094 -0.261 0.000 1.027 124 V CA -1.459 60.673 62.300 -0.280 0.000 0.855 124 V CB 2.925 34.529 31.823 -0.364 0.000 0.995 124 V HN 0.037 7.915 8.190 -0.518 0.000 0.424 125 E N 7.354 127.417 120.200 -0.229 0.000 2.354 125 E HA 0.138 4.237 4.350 -0.418 0.000 0.269 125 E C -1.616 174.821 176.600 -0.273 0.000 1.036 125 E CA -2.071 54.109 56.400 -0.366 0.000 0.876 125 E CB -0.127 29.295 29.700 -0.463 0.000 1.009 125 E HN 0.184 8.439 8.360 -0.176 0.000 0.416 126 P HA 0.019 4.371 4.420 -0.113 0.000 0.274 126 P C -0.865 176.454 177.300 0.032 0.000 1.237 126 P CA -0.602 62.463 63.100 -0.057 0.000 0.793 126 P CB 0.846 32.627 31.700 0.135 0.000 0.977 127 K N 2.026 122.464 120.400 0.062 0.000 2.451 127 K HA -0.191 4.156 4.320 0.044 0.000 0.280 127 K C 1.141 177.832 176.600 0.152 0.000 1.020 127 K CA 0.606 56.950 56.287 0.094 0.000 1.008 127 K CB 0.694 33.267 32.500 0.122 0.000 0.917 127 K HN 0.438 8.691 8.250 0.006 0.000 0.478 128 R N 8.342 128.807 120.500 -0.059 0.000 2.091 128 R HA -0.396 3.889 4.340 -0.092 0.000 0.238 128 R C 1.810 178.155 176.300 0.075 0.000 1.136 128 R CA 3.850 59.824 56.100 -0.211 0.000 0.959 128 R CB -0.411 29.427 30.300 -0.769 0.000 0.856 128 R HN 0.723 8.908 8.270 -0.141 0.000 0.437 129 S N -2.928 112.822 115.700 0.082 0.000 2.399 129 S HA -0.242 4.449 4.470 0.108 -0.156 0.231 129 S C 1.579 176.327 174.600 0.246 0.000 1.022 129 S CA 2.568 60.853 58.200 0.143 0.000 0.983 129 S CB -0.619 62.656 63.200 0.124 0.000 0.803 129 S HN 0.203 8.538 8.310 0.042 0.000 0.480 130 Y N 3.966 124.370 120.300 0.174 0.000 2.220 130 Y HA -0.238 4.432 4.550 0.200 0.000 0.291 130 Y C 1.143 177.153 175.900 0.183 0.000 1.129 130 Y CA 1.923 60.144 58.100 0.202 0.000 1.161 130 Y CB 0.118 38.720 38.460 0.237 0.000 0.997 130 Y HN -0.837 7.571 8.280 0.383 0.101 0.522 131 F N 1.215 121.216 119.950 0.084 0.000 2.091 131 F HA -0.571 3.944 4.527 -0.021 0.000 0.299 131 F C 1.377 177.183 175.800 0.010 0.000 1.103 131 F CA 4.543 62.579 58.000 0.059 0.000 1.228 131 F CB 0.102 39.273 39.000 0.284 0.000 0.984 131 F HN 0.127 8.700 8.300 0.454 0.000 0.477 132 E N -2.393 117.947 120.200 0.233 0.000 2.153 132 E HA -0.459 3.989 4.350 0.164 0.000 0.194 132 E C 1.969 178.555 176.600 -0.025 0.000 0.988 132 E CA 2.835 59.311 56.400 0.127 0.000 0.811 132 E CB -0.401 29.389 29.700 0.149 0.000 0.746 132 E HN -0.249 8.291 8.360 0.312 0.007 0.466 133 E N -0.335 119.828 120.200 -0.062 0.000 2.047 133 E HA -0.227 4.096 4.350 -0.045 0.000 0.191 133 E C 2.171 178.641 176.600 -0.217 0.000 0.987 133 E CA 2.623 58.961 56.400 -0.102 0.000 0.799 133 E CB 0.151 29.829 29.700 -0.037 0.000 0.752 133 E HN -0.807 7.453 8.360 -0.022 0.087 0.449 134 I N -6.850 113.477 120.570 -0.405 0.000 2.617 134 I HA -0.126 3.861 4.170 -0.305 0.000 0.256 134 I C 0.201 176.111 176.117 -0.344 0.000 1.167 134 I CA 2.233 63.290 61.300 -0.405 0.000 1.469 134 I CB 1.072 38.747 38.000 -0.540 0.000 1.098 134 I HN -0.329 7.588 8.210 -0.488 0.000 0.436 135 L N -0.736 120.238 121.223 -0.415 0.000 2.594 135 L HA 0.613 4.792 4.340 -0.268 0.000 0.245 135 L C -1.515 175.232 176.870 -0.205 0.000 1.460 135 L CA -2.810 51.809 54.840 -0.367 0.000 0.865 135 L CB 0.866 42.554 42.059 -0.619 0.000 1.131 135 L HN -0.514 7.447 8.230 -0.449 0.000 0.506 136 P HA -0.032 4.470 4.420 -0.017 -0.093 0.226 136 P C 0.189 177.480 177.300 -0.015 0.000 1.153 136 P CA 1.246 64.321 63.100 -0.042 0.000 0.777 136 P CB 0.284 31.964 31.700 -0.033 0.000 0.794 137 R N -3.067 117.410 120.500 -0.038 0.000 2.299 137 R HA 0.069 4.408 4.340 -0.002 0.000 0.197 137 R C -0.250 176.041 176.300 -0.015 0.000 0.971 137 R CA -0.072 56.015 56.100 -0.021 0.000 1.030 137 R CB -0.177 30.101 30.300 -0.037 0.000 0.932 137 R HN -0.046 8.137 8.270 -0.066 0.048 0.477 138 V N 0.032 119.947 119.914 0.002 0.000 2.481 138 V HA 0.006 4.116 4.120 -0.016 0.000 0.286 138 V C -1.308 174.876 176.094 0.149 0.000 1.042 138 V CA -1.268 61.063 62.300 0.051 0.000 0.928 138 V CB 1.127 33.010 31.823 0.101 0.000 0.986 138 V HN -0.685 7.442 8.190 -0.010 0.057 0.462 139 D N 4.747 125.230 120.400 0.138 0.000 2.346 139 D HA -0.048 4.680 4.640 0.147 0.000 0.260 139 D C 0.532 176.958 176.300 0.211 0.000 1.252 139 D CA 0.473 54.569 54.000 0.160 0.000 0.895 139 D CB 0.551 41.436 40.800 0.141 0.000 1.097 139 D HN 0.460 8.891 8.370 0.102 0.000 0.489 140 S N 7.656 123.503 115.700 0.245 0.000 2.428 140 S HA -0.249 4.398 4.470 0.295 0.000 0.230 140 S C 1.657 176.409 174.600 0.253 0.000 1.014 140 S CA 2.415 60.790 58.200 0.292 0.000 0.957 140 S CB 0.032 63.431 63.200 0.333 0.000 0.784 140 S HN 0.234 8.675 8.310 0.218 0.000 0.499 141 S N 4.306 120.110 115.700 0.173 0.000 2.368 141 S HA -0.324 4.240 4.470 0.156 0.000 0.225 141 S C 1.978 176.649 174.600 0.117 0.000 1.030 141 S CA 4.051 62.334 58.200 0.139 0.000 0.999 141 S CB -0.136 63.117 63.200 0.090 0.000 0.844 141 S HN -0.357 8.277 8.310 0.153 -0.232 0.459 142 E N 1.431 121.696 120.200 0.109 0.000 2.110 142 E HA -0.331 4.004 4.350 -0.025 0.000 0.193 142 E C 2.629 179.249 176.600 0.032 0.000 0.988 142 E CA 2.769 59.203 56.400 0.056 0.000 0.804 142 E CB -0.229 29.578 29.700 0.178 0.000 0.745 142 E HN -0.334 8.592 8.360 0.130 -0.488 0.458 143 M N -0.626 119.033 119.600 0.097 0.000 2.065 143 M HA -0.329 4.148 4.480 -0.005 0.000 0.259 143 M C 2.235 178.467 176.300 -0.113 0.000 1.069 143 M CA 2.576 57.822 55.300 -0.091 0.000 1.110 143 M CB -0.449 31.921 32.600 -0.384 0.000 1.328 143 M HN -0.764 7.603 8.290 0.128 0.000 0.405 144 Y N -2.704 117.654 120.300 0.097 0.000 2.395 144 Y HA -0.336 4.384 4.550 0.284 0.000 0.293 144 Y C 2.315 178.246 175.900 0.052 0.000 1.123 144 Y CA 3.258 61.438 58.100 0.133 0.000 1.227 144 Y CB -0.275 38.213 38.460 0.048 0.000 1.012 144 Y HN -0.214 8.248 8.280 0.303 0.000 0.552 145 D N -3.088 117.370 120.400 0.096 0.000 2.213 145 D HA -0.007 4.661 4.640 0.046 0.000 0.205 145 D C 0.360 176.613 176.300 -0.077 0.000 0.961 145 D CA 2.074 56.084 54.000 0.016 0.000 0.853 145 D CB 0.316 41.114 40.800 -0.004 0.000 0.967 145 D HN -0.049 8.379 8.370 0.096 0.000 0.496 146 R N -2.637 117.736 120.500 -0.212 0.000 2.306 146 R HA 0.083 4.271 4.340 -0.252 0.000 0.183 146 R C 1.432 177.505 176.300 -0.379 0.000 0.937 146 R CA 1.703 57.568 56.100 -0.392 0.000 1.118 146 R CB 1.883 31.735 30.300 -0.747 0.000 1.224 146 R HN -0.388 7.755 8.270 -0.211 0.000 0.597 147 Y N -0.858 119.373 120.300 -0.116 0.000 2.314 147 Y HA -0.150 4.328 4.550 -0.119 0.000 0.294 147 Y C 2.542 178.298 175.900 -0.239 0.000 1.119 147 Y CA 2.636 60.617 58.100 -0.198 0.000 1.179 147 Y CB 0.124 38.400 38.460 -0.307 0.000 1.025 147 Y HN -0.579 7.443 8.280 -0.430 0.000 0.541 148 F N -1.735 118.167 119.950 -0.079 0.000 2.102 148 F HA -0.101 4.367 4.527 -0.099 0.000 0.298 148 F C -0.488 175.284 175.800 -0.046 0.000 1.105 148 F CA 4.811 62.731 58.000 -0.132 0.000 1.239 148 F CB -3.227 35.576 39.000 -0.328 0.000 0.991 148 F HN 0.328 8.534 8.300 -0.157 0.000 0.474 149 P HA -0.267 4.213 4.420 0.099 0.000 0.217 149 P C 1.326 178.670 177.300 0.074 0.000 1.150 149 P CA 2.954 66.105 63.100 0.084 0.000 0.832 149 P CB -0.253 31.471 31.700 0.040 0.000 0.787 150 R N -1.353 119.183 120.500 0.060 0.000 2.073 150 R HA -0.345 4.025 4.340 0.050 0.000 0.234 150 R C 2.079 178.451 176.300 0.120 0.000 1.134 150 R CA 3.377 59.523 56.100 0.076 0.000 0.952 150 R CB -0.161 30.198 30.300 0.098 0.000 0.850 150 R HN -0.487 7.807 8.270 0.039 0.000 0.433 151 A N -1.917 120.997 122.820 0.158 0.000 1.908 151 A HA -0.247 4.264 4.320 0.317 0.000 0.218 151 A C 1.957 179.663 177.584 0.203 0.000 1.181 151 A CA 2.867 55.039 52.037 0.226 0.000 0.627 151 A CB -0.696 18.419 19.000 0.191 0.000 0.818 151 A HN -0.060 8.169 8.150 0.133 0.000 0.445 152 N N -2.441 116.358 118.700 0.164 0.000 2.069 152 N HA -0.395 4.437 4.740 0.154 0.000 0.191 152 N C 1.927 177.497 175.510 0.100 0.000 1.031 152 N CA 3.291 56.423 53.050 0.138 0.000 0.852 152 N CB 0.078 38.639 38.487 0.124 0.000 1.018 152 N HN -0.178 8.299 8.380 0.162 0.000 0.423 153 S N 0.128 115.870 115.700 0.070 0.000 2.355 153 S HA -0.204 4.284 4.470 0.031 0.000 0.222 153 S C 2.404 176.991 174.600 -0.022 0.000 1.031 153 S CA 3.187 61.402 58.200 0.026 0.000 0.993 153 S CB -0.089 63.117 63.200 0.010 0.000 0.859 153 S HN -0.484 7.872 8.310 0.077 0.000 0.453 154 M N 1.846 121.412 119.600 -0.056 0.000 2.175 154 M HA -0.231 4.086 4.480 -0.272 0.000 0.264 154 M C 1.708 177.886 176.300 -0.203 0.000 1.063 154 M CA 1.797 56.943 55.300 -0.257 0.000 1.119 154 M CB -0.555 31.718 32.600 -0.547 0.000 1.377 154 M HN -0.418 7.870 8.290 -0.004 0.000 0.415 155 L N -6.113 115.134 121.223 0.040 0.000 2.465 155 L HA -0.164 4.266 4.340 0.150 0.000 0.224 155 L C -0.240 176.667 176.870 0.062 0.000 1.145 155 L CA 0.532 55.457 54.840 0.141 0.000 0.834 155 L CB 0.010 42.248 42.059 0.299 0.000 0.944 155 L HN -0.389 7.885 8.230 0.103 0.018 0.451 156 R N -6.182 114.331 120.500 0.021 0.000 3.418 156 R HA -0.422 3.918 4.340 -0.001 0.000 0.274 156 R C -0.590 175.723 176.300 0.023 0.000 1.108 156 R CA 0.122 56.224 56.100 0.003 0.000 0.741 156 R CB -3.142 27.139 30.300 -0.032 0.000 1.223 156 R HN -0.674 7.436 8.270 0.012 0.167 0.434 157 V N -1.745 118.197 119.914 0.047 0.000 2.673 157 V HA -0.272 4.025 4.120 0.028 -0.160 0.303 157 V C 0.194 176.256 176.094 -0.053 0.000 1.046 157 V CA 1.265 63.573 62.300 0.013 0.000 1.126 157 V CB -0.488 31.351 31.823 0.026 0.000 0.934 157 V HN -0.737 7.493 8.190 0.066 0.000 0.487 158 N N 6.696 125.324 118.700 -0.120 0.000 2.902 158 N HA 0.258 4.936 4.740 -0.102 0.000 0.268 158 N C -2.290 173.082 175.510 -0.229 0.000 1.450 158 N CA -0.695 52.297 53.050 -0.096 0.000 0.819 158 N CB 3.372 41.915 38.487 0.094 0.000 1.540 158 N HN 0.641 8.969 8.380 -0.088 0.000 0.545 159 H N -2.589 116.628 119.070 0.245 0.000 2.679 159 H HA 0.404 5.003 4.556 0.071 0.000 0.360 159 H C -1.106 174.100 175.328 -0.204 0.000 1.105 159 H CA -0.989 55.086 56.048 0.045 0.000 1.196 159 H CB 2.941 32.672 29.762 -0.052 0.000 1.636 159 H HN 0.196 8.619 8.280 0.237 0.000 0.531 160 I N 3.016 123.156 120.570 -0.718 0.000 2.754 160 I HA -0.130 3.477 4.170 -0.937 0.000 0.285 160 I C -1.042 174.804 176.117 -0.452 0.000 1.166 160 I CA 0.101 60.818 61.300 -0.971 0.000 1.417 160 I CB 1.329 38.538 38.000 -1.318 0.000 1.382 160 I HN 0.049 7.819 8.210 -0.734 0.000 0.588 161 D N 6.101 126.388 120.400 -0.188 0.000 2.371 161 D HA 0.050 4.620 4.640 -0.117 0.000 0.256 161 D C 1.034 177.308 176.300 -0.043 0.000 1.193 161 D CA 0.177 54.135 54.000 -0.070 0.000 0.881 161 D CB 1.408 42.246 40.800 0.062 0.000 1.143 161 D HN 0.279 8.576 8.370 -0.120 0.000 0.473 162 T N 5.087 119.552 114.554 -0.148 0.000 2.788 162 T HA -0.413 3.802 4.350 -0.224 0.000 0.268 162 T C 1.615 176.397 174.700 0.138 0.000 1.044 162 T CA 3.309 65.350 62.100 -0.099 0.000 1.139 162 T CB 0.186 68.990 68.868 -0.107 0.000 0.867 162 T HN 0.306 8.447 8.240 -0.165 0.000 0.454 163 K N 2.427 122.902 120.400 0.124 0.000 2.057 163 K HA -0.242 4.153 4.320 0.124 0.000 0.206 163 K C 1.377 178.089 176.600 0.185 0.000 1.050 163 K CA 2.818 59.190 56.287 0.142 0.000 0.935 163 K CB -0.372 32.198 32.500 0.116 0.000 0.715 163 K HN -0.657 7.742 8.250 0.089 -0.095 0.439 164 W N 0.876 122.220 121.300 0.074 0.000 2.355 164 W HA -0.375 4.340 4.660 0.092 0.000 0.309 164 W C 1.297 177.903 176.519 0.145 0.000 1.206 164 W CA 4.269 61.675 57.345 0.102 0.000 1.284 164 W CB -0.022 29.498 29.460 0.100 0.000 1.145 164 W HN -0.274 8.439 8.180 0.362 -0.315 0.502 165 F N -0.672 119.307 119.950 0.049 0.000 2.120 165 F HA -0.631 3.756 4.527 -0.233 0.000 0.300 165 F C 1.443 177.176 175.800 -0.111 0.000 1.095 165 F CA 4.063 61.994 58.000 -0.115 0.000 1.249 165 F CB 0.152 39.117 39.000 -0.057 0.000 0.995 165 F HN -0.149 8.429 8.300 0.464 0.000 0.480 166 E N -2.777 117.414 120.200 -0.016 0.000 2.106 166 E HA -0.315 3.916 4.350 -0.199 0.000 0.192 166 E C 1.331 177.806 176.600 -0.210 0.000 0.984 166 E CA 2.452 58.791 56.400 -0.102 0.000 0.806 166 E CB -0.393 29.354 29.700 0.078 0.000 0.750 166 E HN -0.432 7.944 8.360 0.184 0.094 0.458 167 D N -3.589 116.693 120.400 -0.197 0.000 2.301 167 D HA 0.113 4.674 4.640 -0.132 0.000 0.206 167 D C 0.387 176.532 176.300 -0.259 0.000 0.979 167 D CA 1.452 55.348 54.000 -0.174 0.000 0.874 167 D CB 0.973 41.721 40.800 -0.085 0.000 0.968 167 D HN -0.534 7.601 8.370 -0.178 0.129 0.510 168 T N 1.115 115.402 114.554 -0.445 0.000 2.897 168 T HA 0.098 4.281 4.350 -0.277 0.000 0.294 168 T C 1.479 176.005 174.700 -0.290 0.000 1.004 168 T CA -1.295 60.555 62.100 -0.418 0.000 1.106 168 T CB 1.117 69.473 68.868 -0.853 0.000 0.949 168 T HN -0.577 7.331 8.240 -0.553 0.000 0.520 169 E N 7.786 127.843 120.200 -0.238 0.000 2.209 169 E HA -0.220 3.973 4.350 -0.261 0.000 0.196 169 E C 1.424 177.824 176.600 -0.334 0.000 0.993 169 E CA 2.412 58.625 56.400 -0.312 0.000 0.819 169 E CB -0.831 28.628 29.700 -0.402 0.000 0.745 169 E HN 0.679 8.927 8.360 -0.186 0.000 0.477 170 W N -1.254 119.936 121.300 -0.183 0.000 2.699 170 W HA -0.103 4.681 4.660 -0.118 -0.194 0.249 170 W C 0.991 177.293 176.519 -0.361 0.000 1.280 170 W CA 1.641 58.856 57.345 -0.217 0.000 1.345 170 W CB 0.377 29.715 29.460 -0.205 0.000 1.128 170 W HN -0.616 7.468 8.180 -0.079 0.048 0.642 171 Y N -4.148 116.135 120.300 -0.028 0.000 2.682 171 Y HA 0.088 4.569 4.550 -0.116 0.000 0.251 171 Y C -0.066 175.562 175.900 -0.452 0.000 1.172 171 Y CA -0.182 57.755 58.100 -0.272 0.000 1.186 171 Y CB 0.038 38.194 38.460 -0.508 0.000 1.216 171 Y HN -0.474 7.671 8.280 -0.127 0.058 0.540 172 K N 3.108 123.404 120.400 -0.172 0.000 2.113 172 K HA -0.455 3.734 4.320 -0.218 0.000 0.208 172 K C 1.112 177.636 176.600 -0.125 0.000 1.047 172 K CA 4.267 60.452 56.287 -0.169 0.000 0.928 172 K CB -0.329 32.086 32.500 -0.143 0.000 0.716 172 K HN -0.652 7.410 8.250 -0.138 0.106 0.446 173 F N -5.172 114.724 119.950 -0.090 0.000 2.161 173 F HA -0.310 4.159 4.527 -0.097 0.000 0.300 173 F C 1.217 177.032 175.800 0.026 0.000 1.089 173 F CA 2.214 60.175 58.000 -0.065 0.000 1.282 173 F CB -1.464 37.481 39.000 -0.092 0.000 1.010 173 F HN -0.344 8.081 8.300 0.236 0.017 0.485 174 A N 0.803 123.063 122.820 -0.933 0.000 1.897 174 A HA -0.330 3.766 4.320 -0.374 0.000 0.215 174 A C 1.811 179.330 177.584 -0.107 0.000 1.181 174 A CA 2.726 54.465 52.037 -0.497 0.000 0.620 174 A CB -0.480 18.308 19.000 -0.352 0.000 0.821 174 A HN -0.537 6.730 8.150 -1.278 0.117 0.443 175 R N -2.285 118.131 120.500 -0.139 0.000 2.096 175 R HA -0.378 3.978 4.340 0.028 0.000 0.235 175 R C 2.339 178.632 176.300 -0.012 0.000 1.127 175 R CA 3.464 59.532 56.100 -0.053 0.000 0.968 175 R CB -0.143 30.074 30.300 -0.139 0.000 0.861 175 R HN -0.651 7.462 8.270 -0.261 0.000 0.440 176 V N 0.286 120.188 119.914 -0.021 0.000 2.295 176 V HA -0.408 3.732 4.120 0.033 0.000 0.246 176 V C 1.674 177.809 176.094 0.068 0.000 1.049 176 V CA 3.967 66.283 62.300 0.026 0.000 1.024 176 V CB -0.838 30.996 31.823 0.019 0.000 0.648 176 V HN 0.043 8.199 8.190 -0.057 0.000 0.447 177 S N -0.622 115.134 115.700 0.094 0.000 2.402 177 S HA -0.276 4.319 4.470 0.208 0.000 0.229 177 S C 2.149 176.834 174.600 0.141 0.000 1.021 177 S CA 3.871 62.183 58.200 0.186 0.000 0.974 177 S CB -0.298 63.087 63.200 0.309 0.000 0.800 177 S HN -0.726 7.625 8.310 0.067 0.000 0.484 178 R N 1.573 122.126 120.500 0.088 0.000 2.083 178 R HA -0.354 4.013 4.340 0.044 0.000 0.237 178 R C 1.875 178.202 176.300 0.045 0.000 1.137 178 R CA 3.652 59.782 56.100 0.050 0.000 0.951 178 R CB -0.177 30.141 30.300 0.030 0.000 0.851 178 R HN -0.217 8.098 8.270 0.075 0.000 0.434 179 E N -1.140 119.092 120.200 0.053 0.000 2.072 179 E HA -0.298 4.078 4.350 0.044 0.000 0.191 179 E C 2.508 179.147 176.600 0.064 0.000 0.985 179 E CA 3.097 59.530 56.400 0.055 0.000 0.801 179 E CB -0.353 29.385 29.700 0.064 0.000 0.750 179 E HN -0.508 7.885 8.360 0.055 0.000 0.452 180 Q N -1.494 118.353 119.800 0.078 0.000 2.050 180 Q HA -0.239 4.281 4.340 0.082 -0.131 0.202 180 Q C 2.622 178.653 176.000 0.052 0.000 0.980 180 Q CA 2.632 58.481 55.803 0.077 0.000 0.840 180 Q CB -0.236 28.555 28.738 0.089 0.000 0.898 180 Q HN -0.412 7.909 8.270 0.085 0.000 0.424 181 A N -1.152 121.697 122.820 0.049 0.000 1.908 181 A HA -0.344 3.965 4.320 -0.019 0.000 0.218 181 A C 2.011 179.587 177.584 -0.013 0.000 1.181 181 A CA 2.709 54.747 52.037 0.002 0.000 0.627 181 A CB -0.756 18.244 19.000 0.000 0.000 0.818 181 A HN 0.212 8.406 8.150 0.073 0.000 0.445 182 G N -2.539 106.263 108.800 0.003 0.000 2.432 182 G HA2 -0.348 3.929 3.960 -0.019 0.000 0.219 182 G HA3 -0.348 3.613 3.960 0.002 0.000 0.219 182 G C 1.841 176.742 174.900 0.001 0.000 1.135 182 G CA 1.613 46.710 45.100 -0.005 0.000 0.767 182 G HN -0.172 8.113 8.290 0.017 0.015 0.550 183 K N 0.337 120.747 120.400 0.017 0.000 2.283 183 K HA -0.236 4.097 4.320 0.022 0.000 0.202 183 K C 0.163 176.768 176.600 0.007 0.000 1.048 183 K CA 1.827 58.128 56.287 0.023 0.000 0.948 183 K CB -0.090 32.440 32.500 0.048 0.000 0.742 183 K HN -0.637 7.610 8.250 0.026 0.019 0.458 184 A N -3.838 118.977 122.820 -0.009 0.000 2.307 184 A HA 0.067 4.375 4.320 -0.019 0.000 0.218 184 A C -0.755 176.805 177.584 -0.041 0.000 1.228 184 A CA -0.597 51.423 52.037 -0.027 0.000 0.857 184 A CB 0.484 19.455 19.000 -0.048 0.000 0.897 184 A HN -0.601 7.396 8.150 -0.009 0.147 0.495 185 G N -2.920 105.859 108.800 -0.035 0.000 2.137 185 G HA2 -0.337 3.602 3.960 -0.035 0.000 0.237 185 G HA3 -0.337 3.597 3.960 -0.044 0.000 0.237 185 G C -0.757 174.107 174.900 -0.061 0.000 1.002 185 G CA 0.184 45.258 45.100 -0.043 0.000 0.702 185 G HN -0.387 7.703 8.290 -0.025 0.185 0.515 186 L N -0.368 120.817 121.223 -0.064 0.000 2.341 186 L HA 0.278 4.565 4.340 -0.089 0.000 0.278 186 L C -0.650 176.179 176.870 -0.068 0.000 1.005 186 L CA -1.382 53.409 54.840 -0.081 0.000 0.818 186 L CB 1.421 43.415 42.059 -0.108 0.000 1.259 186 L HN -0.585 7.574 8.230 -0.054 0.040 0.418 187 G N 1.000 109.753 108.800 -0.079 0.000 2.588 187 G HA2 0.137 4.058 3.960 -0.066 0.000 0.281 187 G HA3 0.137 4.049 3.960 -0.081 0.000 0.281 187 G C -0.600 174.242 174.900 -0.097 0.000 1.236 187 G CA -0.110 44.943 45.100 -0.080 0.000 0.969 187 G HN 0.436 8.674 8.290 -0.086 0.000 0.504 188 T N -3.468 111.016 114.554 -0.117 0.000 2.930 188 T HA 0.707 4.693 4.350 -0.607 0.000 0.290 188 T C -1.041 173.544 174.700 -0.192 0.000 1.052 188 T CA -1.285 60.730 62.100 -0.143 0.000 1.017 188 T CB 2.302 71.070 68.868 -0.166 0.000 1.137 188 T HN -0.357 nan 8.240 nan 0.000 0.511 189 V N -1.487 118.332 119.914 -0.157 0.000 2.735 189 V HA 0.503 4.514 4.120 -0.181 0.000 0.310 189 V C -1.335 174.642 176.094 -0.194 0.000 1.061 189 V CA -2.501 59.720 62.300 -0.130 0.000 0.913 189 V CB 3.165 35.015 31.823 0.044 0.000 1.005 189 V HN 0.316 8.440 8.190 -0.109 0.000 0.428 190 F N 2.679 122.579 119.950 -0.083 0.000 2.506 190 F HA 0.124 4.690 4.527 -0.216 -0.169 0.351 190 F C 0.749 176.536 175.800 -0.021 0.000 1.136 190 F CA 0.705 58.622 58.000 -0.139 0.000 1.298 190 F CB 0.989 39.868 39.000 -0.202 0.000 1.145 190 F HN 0.132 8.368 8.300 -0.107 0.000 0.593 191 V N 4.222 124.253 119.914 0.195 0.000 2.334 191 V HA 0.363 4.554 4.120 0.117 0.000 0.281 191 V C -2.209 173.990 176.094 0.175 0.000 1.016 191 V CA -3.045 59.344 62.300 0.148 0.000 0.832 191 V CB 0.890 32.792 31.823 0.131 0.000 0.999 191 V HN 0.228 8.538 8.190 0.200 0.000 0.439 192 P HA 0.119 4.675 4.420 0.069 -0.094 0.271 192 P C -1.623 175.749 177.300 0.121 0.000 1.233 192 P CA -0.530 62.609 63.100 0.064 0.000 0.789 192 P CB 0.793 32.456 31.700 -0.062 0.000 0.951 193 N N -1.024 117.766 118.700 0.150 0.000 2.610 193 N HA 0.567 5.594 4.740 0.145 -0.200 0.264 193 N C -0.240 175.307 175.510 0.062 0.000 1.348 193 N CA -0.660 52.469 53.050 0.132 0.000 0.819 193 N CB 4.293 42.842 38.487 0.103 0.000 1.521 193 N HN -0.017 8.427 8.380 0.105 0.000 0.497 194 V N -2.216 117.769 119.914 0.118 0.000 3.608 194 V HA 0.328 4.466 4.120 0.031 0.000 0.269 194 V C -0.318 175.749 176.094 -0.046 0.000 1.245 194 V CA -0.670 61.665 62.300 0.057 0.000 1.138 194 V CB -0.488 31.401 31.823 0.109 0.000 0.841 194 V HN 0.229 8.539 8.190 0.200 0.000 0.451 195 Y N 3.773 123.943 120.300 -0.217 0.000 2.442 195 Y HA -0.221 4.355 4.550 -0.216 -0.156 0.330 195 Y C -0.894 174.744 175.900 -0.436 0.000 1.129 195 Y CA 0.854 58.769 58.100 -0.308 0.000 1.365 195 Y CB 0.451 38.713 38.460 -0.331 0.000 1.233 195 Y HN 0.025 8.714 8.280 0.024 -0.394 0.529 196 D N 7.538 127.732 120.400 -0.343 0.000 2.342 196 D HA -0.150 4.548 4.640 -0.104 -0.120 0.260 196 D C 0.474 176.800 176.300 0.043 0.000 1.278 196 D CA 0.296 54.209 54.000 -0.144 0.000 0.910 196 D CB 0.196 40.910 40.800 -0.143 0.000 1.079 196 D HN -0.085 7.912 8.370 -0.622 0.000 0.496 197 F N 5.990 126.031 119.950 0.153 0.000 2.325 197 F HA -0.311 4.324 4.527 0.181 0.000 0.299 197 F C 1.820 177.584 175.800 -0.060 0.000 1.090 197 F CA 2.999 61.057 58.000 0.096 0.000 1.392 197 F CB -0.081 38.956 39.000 0.062 0.000 1.053 197 F HN 0.243 8.935 8.300 0.120 -0.319 0.521 198 G N -0.553 108.319 108.800 0.119 0.000 2.418 198 G HA2 -0.420 3.492 3.960 -0.080 0.000 0.217 198 G HA3 -0.420 3.547 3.960 0.012 0.000 0.217 198 G C 0.535 175.413 174.900 -0.037 0.000 1.158 198 G CA 2.065 47.161 45.100 -0.007 0.000 0.771 198 G HN -0.275 8.316 8.290 0.148 -0.212 0.545 199 Y N 3.195 123.457 120.300 -0.063 0.000 2.128 199 Y HA -0.462 4.041 4.550 -0.078 0.000 0.284 199 Y C 1.479 177.355 175.900 -0.040 0.000 1.154 199 Y CA 3.979 62.041 58.100 -0.065 0.000 1.149 199 Y CB 0.267 38.668 38.460 -0.097 0.000 0.976 199 Y HN -0.284 8.698 8.280 0.170 -0.600 0.505 200 M N -0.542 119.166 119.600 0.180 0.000 2.149 200 M HA -0.496 4.311 4.480 0.170 -0.225 0.261 200 M C 2.055 178.194 176.300 -0.270 0.000 1.064 200 M CA 3.726 59.074 55.300 0.080 0.000 1.102 200 M CB -0.083 32.654 32.600 0.228 0.000 1.369 200 M HN -0.424 7.953 8.290 0.271 0.076 0.408 201 Q N -1.146 118.314 119.800 -0.566 0.000 2.084 201 Q HA -0.396 3.301 4.340 -1.073 0.000 0.202 201 Q C 2.472 178.285 176.000 -0.311 0.000 0.978 201 Q CA 3.577 58.922 55.803 -0.763 0.000 0.844 201 Q CB -0.208 27.981 28.738 -0.914 0.000 0.898 201 Q HN -0.354 7.632 8.270 -0.473 0.000 0.426 202 R N -1.673 118.645 120.500 -0.303 0.000 2.115 202 R HA -0.259 4.085 4.340 -0.190 -0.118 0.230 202 R C 2.581 178.710 176.300 -0.284 0.000 1.111 202 R CA 3.335 59.270 56.100 -0.274 0.000 0.976 202 R CB -0.138 29.966 30.300 -0.327 0.000 0.870 202 R HN -0.537 7.539 8.270 -0.324 0.000 0.445 203 E N 0.428 120.423 120.200 -0.343 0.000 2.058 203 E HA -0.313 3.864 4.350 -0.287 0.000 0.194 203 E C 1.924 178.424 176.600 -0.166 0.000 0.997 203 E CA 2.831 59.069 56.400 -0.270 0.000 0.801 203 E CB -0.169 29.394 29.700 -0.228 0.000 0.746 203 E HN -0.174 7.871 8.360 -0.384 0.084 0.450 204 A N -2.384 120.385 122.820 -0.085 0.000 1.972 204 A HA -0.136 4.200 4.320 0.027 0.000 0.219 204 A C 1.574 179.252 177.584 0.155 0.000 1.169 204 A CA 2.349 54.448 52.037 0.102 0.000 0.635 204 A CB -0.614 18.641 19.000 0.425 0.000 0.810 204 A HN -0.595 7.504 8.150 -0.085 0.000 0.446 205 A N -4.670 118.196 122.820 0.077 0.000 2.238 205 A HA -0.006 4.377 4.320 0.105 0.000 0.208 205 A C 0.334 177.928 177.584 0.017 0.000 1.177 205 A CA -0.257 51.816 52.037 0.061 0.000 0.804 205 A CB 0.047 19.064 19.000 0.028 0.000 0.823 205 A HN -0.650 7.402 8.150 0.025 0.113 0.482 206 G N -1.914 106.878 108.800 -0.013 0.000 2.160 206 G HA2 -0.317 3.622 3.960 -0.034 0.000 0.251 206 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.251 206 G C 0.665 175.530 174.900 -0.059 0.000 1.008 206 G CA 1.075 46.158 45.100 -0.027 0.000 0.724 206 G HN -0.475 7.613 8.290 -0.024 0.188 0.514 207 E N -2.093 118.047 120.200 -0.101 0.000 2.364 207 E HA 0.060 4.362 4.350 -0.079 0.000 0.196 207 E C -0.252 176.255 176.600 -0.156 0.000 0.990 207 E CA 0.519 56.851 56.400 -0.113 0.000 0.886 207 E CB 1.239 30.872 29.700 -0.112 0.000 0.866 207 E HN -0.166 8.094 8.360 -0.119 0.029 0.493 208 V N -4.637 115.139 119.914 -0.231 0.000 3.114 208 V HA 0.534 4.541 4.120 -0.188 0.000 0.308 208 V C -2.751 173.198 176.094 -0.241 0.000 1.168 208 V CA -3.955 58.179 62.300 -0.278 0.000 1.015 208 V CB 0.936 32.433 31.823 -0.543 0.000 1.050 208 V HN -0.814 7.233 8.190 -0.239 0.000 0.433 209 P HA 0.068 4.408 4.420 -0.133 0.000 0.265 209 P C -1.052 176.183 177.300 -0.108 0.000 1.193 209 P CA 0.324 63.290 63.100 -0.224 0.000 0.765 209 P CB 0.425 31.821 31.700 -0.506 0.000 0.823 210 K N 2.321 122.711 120.400 -0.016 0.000 2.237 210 K HA -0.117 4.375 4.320 0.044 -0.146 0.270 210 K C -0.986 175.735 176.600 0.201 0.000 1.015 210 K CA 0.748 57.063 56.287 0.046 0.000 0.949 210 K CB 0.699 33.168 32.500 -0.052 0.000 0.976 210 K HN 0.088 8.322 8.250 -0.026 0.000 0.472 211 S N 1.876 117.713 115.700 0.227 0.000 4.403 211 S HA 0.120 4.803 4.470 0.205 -0.089 0.183 211 S C 1.437 176.100 174.600 0.106 0.000 1.070 211 S CA 1.407 59.751 58.200 0.240 0.000 1.145 211 S CB 1.396 64.806 63.200 0.350 0.000 1.585 211 S HN 0.421 9.239 8.310 0.198 -0.388 0.634 212 A N 4.410 127.288 122.820 0.097 0.000 1.948 212 A HA -0.079 4.147 4.320 -0.156 0.000 0.220 212 A C 1.375 178.832 177.584 -0.210 0.000 1.177 212 A CA 2.837 54.768 52.037 -0.176 0.000 0.636 212 A CB -0.021 18.641 19.000 -0.563 0.000 0.815 212 A HN -0.067 8.275 8.150 0.321 0.000 0.449 213 L N -7.061 113.980 121.223 -0.304 0.000 2.653 213 L HA 0.041 3.945 4.340 -0.728 0.000 0.232 213 L C -1.365 175.289 176.870 -0.361 0.000 1.169 213 L CA -0.573 53.854 54.840 -0.688 0.000 0.951 213 L CB -0.959 40.339 42.059 -1.268 0.000 1.181 213 L HN -0.489 7.879 8.230 -0.205 -0.262 0.460 214 A N -2.646 120.105 122.820 -0.115 0.000 2.674 214 A HA 0.352 4.684 4.320 0.019 0.000 0.286 214 A C -1.118 176.481 177.584 0.024 0.000 0.980 214 A CA -1.215 50.820 52.037 -0.004 0.000 1.028 214 A CB 0.833 19.850 19.000 0.028 0.000 1.199 214 A HN -0.414 7.475 8.150 -0.096 0.204 0.499 215 T N -4.789 109.769 114.554 0.007 0.000 3.803 215 T HA -0.556 3.777 4.350 -0.029 0.000 0.376 215 T C -1.232 173.459 174.700 -0.014 0.000 0.761 215 T CA 0.532 62.629 62.100 -0.005 0.000 1.962 215 T CB -2.085 66.791 68.868 0.013 0.000 1.780 215 T HN -0.214 8.021 8.240 -0.007 0.000 0.771 216 E N -0.207 119.978 120.200 -0.025 0.000 2.210 216 E HA 0.430 4.752 4.350 -0.047 0.000 0.266 216 E C -2.316 174.231 176.600 -0.089 0.000 0.883 216 E CA -0.961 55.417 56.400 -0.036 0.000 0.761 216 E CB 4.080 33.796 29.700 0.026 0.000 1.156 216 E HN -0.569 7.775 8.360 -0.027 0.000 0.412 217 V N 4.806 124.621 119.914 -0.165 0.000 4.496 217 V HA 0.198 4.459 4.120 -0.145 -0.228 0.146 217 V C -0.407 175.523 176.094 -0.273 0.000 1.365 217 V CA 1.810 64.003 62.300 -0.179 0.000 1.001 217 V CB 2.262 34.006 31.823 -0.132 0.000 1.083 217 V HN 0.131 8.195 8.190 -0.210 0.000 0.624 218 I N 0.458 120.800 120.570 -0.380 0.000 3.111 218 I HA -0.177 4.031 4.170 -0.316 -0.228 0.272 218 I C -1.577 174.309 176.117 -0.386 0.000 1.268 218 I CA 1.332 62.377 61.300 -0.425 0.000 1.467 218 I CB 0.276 37.974 38.000 -0.504 0.000 1.087 218 I HN -0.739 7.223 8.210 -0.414 0.000 0.467 219 Y N -3.883 116.297 120.300 -0.199 0.000 2.658 219 Y HA 0.063 4.469 4.550 -0.240 0.000 0.276 219 Y C -0.926 174.655 175.900 -0.532 0.000 1.167 219 Y CA -2.697 55.255 58.100 -0.247 0.000 1.230 219 Y CB -0.813 37.585 38.460 -0.104 0.000 1.144 219 Y HN -0.511 7.456 8.280 -0.468 0.032 0.529 220 G N -0.332 108.093 108.800 -0.625 0.000 2.629 220 G HA2 -0.326 3.181 3.960 -1.162 0.000 0.686 220 G HA3 -0.326 2.099 3.960 -2.558 0.000 0.686 220 G C -1.959 172.538 174.900 -0.671 0.000 1.232 220 G CA -0.407 43.921 45.100 -1.286 0.000 0.803 220 G HN -0.674 7.171 8.290 -0.461 0.169 0.638 221 N N 0.889 119.282 118.700 -0.512 0.000 2.417 221 N HA 0.170 5.015 4.740 -0.028 -0.122 0.274 221 N C -0.999 174.563 175.510 0.086 0.000 0.987 221 N CA -0.472 52.524 53.050 -0.090 0.000 0.912 221 N CB 2.106 40.596 38.487 0.006 0.000 1.177 221 N HN 0.220 8.199 8.380 -0.668 0.000 0.490 222 N N 2.103 120.861 118.700 0.097 0.000 2.453 222 N HA -0.128 4.630 4.740 0.030 0.000 0.183 222 N C -0.610 174.496 175.510 -0.672 0.000 1.041 222 N CA 1.907 54.857 53.050 -0.167 0.000 0.900 222 N CB 0.909 39.259 38.487 -0.228 0.000 0.961 222 N HN 0.178 8.960 8.380 0.104 -0.340 0.443 223 H N -1.257 117.802 119.070 -0.018 0.000 3.008 223 H HA 0.224 4.614 4.556 -0.277 0.000 0.354 223 H C 0.096 175.131 175.328 -0.487 0.000 1.252 223 H CA -0.332 55.565 56.048 -0.252 0.000 1.117 223 H CB 3.602 33.249 29.762 -0.191 0.000 1.857 223 H HN -1.018 7.186 8.280 -0.058 0.040 0.547 224 G N 1.437 109.731 108.800 -0.842 0.000 2.550 224 G HA2 -0.483 2.683 3.960 -1.324 0.000 0.233 224 G HA3 -0.483 2.446 3.960 -1.719 0.000 0.233 224 G C -0.937 173.215 174.900 -1.248 0.000 1.170 224 G CA 1.063 45.361 45.100 -1.337 0.000 0.693 224 G HN 0.421 8.205 8.290 -0.843 0.000 0.512 225 K N 3.767 123.683 120.400 -0.807 0.000 2.312 225 K HA 0.029 4.086 4.320 -0.439 0.000 0.287 225 K C -0.635 175.807 176.600 -0.263 0.000 1.062 225 K CA -0.759 55.288 56.287 -0.399 0.000 0.934 225 K CB 0.241 32.696 32.500 -0.074 0.000 1.027 225 K HN -0.574 7.235 8.250 -0.593 0.085 0.478 226 Q N 8.018 127.694 119.800 -0.207 0.000 2.844 226 Q HA 0.158 4.404 4.340 -0.157 0.000 0.235 226 Q C -0.948 174.985 176.000 -0.112 0.000 1.336 226 Q CA -1.541 54.174 55.803 -0.147 0.000 1.026 226 Q CB -1.862 26.802 28.738 -0.123 0.000 1.513 226 Q HN -0.189 7.960 8.270 -0.202 0.000 0.577 227 S N 0.216 115.844 115.700 -0.120 0.000 2.606 227 S HA -0.153 4.217 4.470 -0.166 0.000 0.257 227 S C 1.098 175.617 174.600 -0.135 0.000 1.327 227 S CA -0.326 57.791 58.200 -0.138 0.000 0.984 227 S CB 0.960 64.089 63.200 -0.118 0.000 0.941 227 S HN -0.343 7.837 8.310 -0.121 0.058 0.576 228 L N -0.104 120.997 121.223 -0.202 0.000 2.201 228 L HA -0.084 4.189 4.340 -0.112 0.000 0.212 228 L C 1.743 178.561 176.870 -0.087 0.000 1.105 228 L CA 2.546 57.282 54.840 -0.173 0.000 0.775 228 L CB -0.454 41.404 42.059 -0.334 0.000 0.913 228 L HN 0.142 8.215 8.230 -0.261 0.000 0.440 229 D N -2.238 118.119 120.400 -0.071 0.000 2.182 229 D HA -0.266 4.355 4.640 -0.032 0.000 0.201 229 D C 1.271 177.550 176.300 -0.036 0.000 0.986 229 D CA 2.454 56.435 54.000 -0.032 0.000 0.847 229 D CB -1.181 39.624 40.800 0.009 0.000 0.942 229 D HN 0.502 8.800 8.370 -0.080 0.024 0.467 230 K N -3.280 117.090 120.400 -0.051 0.000 2.314 230 K HA -0.011 4.278 4.320 -0.052 0.000 0.198 230 K C 0.087 176.647 176.600 -0.068 0.000 1.045 230 K CA 1.934 58.185 56.287 -0.060 0.000 0.988 230 K CB 0.722 33.176 32.500 -0.077 0.000 0.783 230 K HN -0.353 7.841 8.250 -0.059 0.021 0.484 231 T N -5.826 108.690 114.554 -0.064 0.000 3.274 231 T HA -0.061 4.221 4.350 -0.115 0.000 0.186 231 T C 0.780 175.427 174.700 -0.088 0.000 0.799 231 T CA 1.034 63.079 62.100 -0.093 0.000 1.611 231 T CB 0.949 69.768 68.868 -0.083 0.000 2.155 231 T HN -1.058 7.033 8.240 -0.054 0.116 0.427 232 Y N 1.769 122.018 120.300 -0.085 0.000 2.165 232 Y HA -0.229 4.283 4.550 -0.064 0.000 0.286 232 Y C 1.991 177.839 175.900 -0.087 0.000 1.155 232 Y CA 3.740 61.791 58.100 -0.081 0.000 1.164 232 Y CB -0.092 38.313 38.460 -0.091 0.000 0.978 232 Y HN -0.101 8.271 8.280 0.153 0.000 0.513 233 L N -2.572 118.687 121.223 0.061 0.000 2.109 233 L HA -0.379 3.964 4.340 0.005 0.000 0.207 233 L C 2.124 178.985 176.870 -0.015 0.000 1.086 233 L CA 2.880 57.722 54.840 0.003 0.000 0.760 233 L CB -0.718 41.325 42.059 -0.027 0.000 0.910 233 L HN 0.195 8.456 8.230 0.052 0.000 0.437 234 A N -0.448 122.356 122.820 -0.025 0.000 1.908 234 A HA -0.372 3.929 4.320 -0.032 0.000 0.218 234 A C 1.914 179.475 177.584 -0.039 0.000 1.181 234 A CA 3.016 55.032 52.037 -0.035 0.000 0.627 234 A CB -1.207 17.766 19.000 -0.044 0.000 0.818 234 A HN -0.350 7.785 8.150 -0.026 0.000 0.445 235 A N -2.673 120.119 122.820 -0.046 0.000 1.898 235 A HA -0.294 3.993 4.320 -0.054 0.000 0.216 235 A C 1.795 179.359 177.584 -0.033 0.000 1.181 235 A CA 2.653 54.660 52.037 -0.051 0.000 0.620 235 A CB -0.615 18.334 19.000 -0.085 0.000 0.819 235 A HN -0.305 7.815 8.150 -0.050 0.000 0.442 236 A N -1.019 121.790 122.820 -0.017 0.000 1.877 236 A HA -0.364 3.941 4.320 -0.025 0.000 0.216 236 A C 1.969 179.533 177.584 -0.033 0.000 1.186 236 A CA 2.807 54.831 52.037 -0.023 0.000 0.620 236 A CB -0.542 18.445 19.000 -0.022 0.000 0.822 236 A HN -0.306 7.767 8.150 -0.005 0.074 0.443 237 L N -2.568 118.635 121.223 -0.032 0.000 2.079 237 L HA -0.267 4.052 4.340 -0.035 0.000 0.210 237 L C 3.301 180.152 176.870 -0.032 0.000 1.081 237 L CA 2.268 57.088 54.840 -0.033 0.000 0.752 237 L CB -0.439 41.601 42.059 -0.032 0.000 0.896 237 L HN 0.015 8.227 8.230 -0.030 0.000 0.433 238 G N -2.859 105.922 108.800 -0.032 0.000 2.498 238 G HA2 -0.216 3.727 3.960 -0.029 0.000 0.219 238 G HA3 -0.216 3.724 3.960 -0.033 0.000 0.219 238 G C 0.211 175.093 174.900 -0.029 0.000 1.119 238 G CA 1.564 46.645 45.100 -0.031 0.000 0.766 238 G HN -0.113 8.053 8.290 -0.033 0.105 0.552 239 T N -1.993 112.543 114.554 -0.031 0.000 2.995 239 T HA -0.171 4.162 4.350 -0.028 0.000 0.269 239 T C 1.273 175.957 174.700 -0.026 0.000 1.091 239 T CA 0.493 62.575 62.100 -0.029 0.000 1.128 239 T CB 0.438 69.286 68.868 -0.033 0.000 0.891 239 T HN -0.691 7.371 8.240 -0.032 0.159 0.492 240 G N 1.106 109.890 108.800 -0.026 0.000 2.179 240 G HA2 -0.309 3.638 3.960 -0.023 0.000 0.260 240 G HA3 -0.309 3.640 3.960 -0.020 0.000 0.260 240 G C 0.427 175.313 174.900 -0.023 0.000 0.977 240 G CA 0.752 45.839 45.100 -0.023 0.000 0.641 240 G HN -0.350 7.877 8.290 -0.028 0.046 0.533 241 K N -2.431 117.952 120.400 -0.028 0.000 2.413 241 K HA 0.281 4.736 4.320 -0.024 -0.150 0.204 241 K C -1.915 174.662 176.600 -0.038 0.000 1.041 241 K CA -0.435 55.835 56.287 -0.029 0.000 1.082 241 K CB 1.691 34.174 32.500 -0.028 0.000 0.871 241 K HN -0.359 7.806 8.250 -0.031 0.066 0.535 242 V N -0.763 119.126 119.914 -0.042 0.000 2.588 242 V HA 0.891 5.198 4.120 -0.053 -0.219 0.304 242 V C -0.412 175.654 176.094 -0.048 0.000 1.042 242 V CA -2.081 60.189 62.300 -0.050 0.000 0.877 242 V CB 2.223 34.014 31.823 -0.055 0.000 0.996 242 V HN -0.607 7.560 8.190 -0.038 0.000 0.425 243 T N 8.344 122.866 114.554 -0.054 0.000 2.885 243 T HA 0.437 4.756 4.350 -0.052 0.000 0.285 243 T C -1.730 172.930 174.700 -0.066 0.000 1.019 243 T CA -1.184 60.881 62.100 -0.058 0.000 1.010 243 T CB 2.075 70.906 68.868 -0.062 0.000 1.022 243 T HN 0.323 8.529 8.240 -0.057 0.000 0.466 244 I N 3.664 124.193 120.570 -0.068 0.000 2.436 244 I HA 0.349 4.651 4.170 -0.076 -0.177 0.289 244 I C -1.010 175.048 176.117 -0.099 0.000 1.010 244 I CA -1.134 60.123 61.300 -0.073 0.000 1.098 244 I CB 2.111 40.081 38.000 -0.051 0.000 1.266 244 I HN 0.252 8.424 8.210 -0.063 0.000 0.434 245 Q N 7.941 127.650 119.800 -0.151 0.000 2.322 245 Q HA 0.440 4.669 4.340 -0.185 0.000 0.265 245 Q C -1.017 174.903 176.000 -0.133 0.000 0.985 245 Q CA -1.526 54.127 55.803 -0.250 0.000 0.849 245 Q CB 2.962 31.340 28.738 -0.599 0.000 1.274 245 Q HN 0.585 8.768 8.270 -0.145 0.000 0.449 246 T N -1.175 113.382 114.554 0.004 0.000 2.944 246 T HA 0.623 5.182 4.350 0.082 -0.160 0.284 246 T C 0.780 175.627 174.700 0.244 0.000 1.010 246 T CA -2.816 59.341 62.100 0.094 0.000 1.025 246 T CB 2.330 71.215 68.868 0.030 0.000 1.079 246 T HN 0.347 8.583 8.240 -0.007 0.000 0.516 247 L N -2.330 119.000 121.223 0.179 0.000 3.839 247 L HA -0.460 4.236 4.340 0.182 -0.246 0.416 247 L C -1.741 175.199 176.870 0.116 0.000 1.195 247 L CA 0.921 55.854 54.840 0.155 0.000 0.946 247 L CB -2.508 39.593 42.059 0.071 0.000 1.891 247 L HN 0.453 8.770 8.230 0.145 0.000 0.963 248 H N -1.340 117.759 119.070 0.048 0.000 2.638 248 H HA 0.668 5.451 4.556 0.031 -0.208 0.317 248 H C -0.877 174.474 175.328 0.039 0.000 1.006 248 H CA -1.099 54.969 56.048 0.034 0.000 1.222 248 H CB 1.184 30.957 29.762 0.017 0.000 1.419 248 H HN -0.435 7.979 8.280 0.284 0.037 0.489 249 Q N 5.391 125.252 119.800 0.101 0.000 2.325 249 Q HA 0.335 4.722 4.340 0.079 0.000 0.262 249 Q C -1.734 174.300 176.000 0.056 0.000 0.968 249 Q CA -1.780 54.069 55.803 0.077 0.000 0.877 249 Q CB 2.088 30.870 28.738 0.074 0.000 1.253 249 Q HN 0.463 8.761 8.270 0.047 0.000 0.448 250 V N 9.170 129.113 119.914 0.048 0.000 2.572 250 V HA -0.192 4.085 4.120 0.038 -0.134 0.291 250 V C -0.025 176.080 176.094 0.017 0.000 1.039 250 V CA 1.314 63.633 62.300 0.031 0.000 1.055 250 V CB -0.462 31.372 31.823 0.019 0.000 0.969 250 V HN 0.661 8.879 8.190 0.047 0.000 0.482 251 K N 4.667 125.076 120.400 0.014 0.000 2.262 251 K HA 0.136 4.464 4.320 0.013 0.000 0.200 251 K C -0.015 176.584 176.600 -0.002 0.000 1.058 251 K CA 0.252 56.545 56.287 0.010 0.000 0.974 251 K CB 2.516 35.024 32.500 0.013 0.000 0.910 251 K HN 0.613 8.873 8.250 0.017 0.000 0.484 252 T N -5.768 108.782 114.554 -0.006 0.000 2.903 252 T HA 0.304 4.632 4.350 -0.036 0.000 0.299 252 T C -2.184 172.503 174.700 -0.022 0.000 1.093 252 T CA -1.284 60.803 62.100 -0.021 0.000 1.002 252 T CB 2.370 71.230 68.868 -0.014 0.000 1.127 252 T HN -0.771 7.470 8.240 0.001 0.000 0.488 253 I N 1.707 122.251 120.570 -0.044 0.000 2.498 253 I HA 0.605 4.920 4.170 -0.009 -0.150 0.290 253 I C -1.925 174.175 176.117 -0.028 0.000 1.032 253 I CA -0.916 60.360 61.300 -0.040 0.000 1.073 253 I CB 3.176 41.113 38.000 -0.104 0.000 1.251 253 I HN 0.764 8.938 8.210 -0.060 0.000 0.426 254 R N 4.008 124.525 120.500 0.029 0.000 2.808 254 R HA 0.770 5.275 4.340 -0.001 -0.166 0.272 254 R C -1.981 174.368 176.300 0.081 0.000 0.995 254 R CA -2.590 53.527 56.100 0.027 0.000 0.917 254 R CB 4.052 34.356 30.300 0.006 0.000 1.217 254 R HN 0.671 8.974 8.270 0.055 0.000 0.471 255 Q N 2.744 122.555 119.800 0.018 0.000 2.279 255 Q HA 0.365 4.817 4.340 -0.354 -0.325 0.256 255 Q C 0.593 176.522 176.000 -0.118 0.000 0.937 255 Q CA -0.519 55.202 55.803 -0.136 0.000 0.933 255 Q CB 1.592 30.294 28.738 -0.060 0.000 1.189 255 Q HN 0.145 8.429 8.270 0.022 0.000 0.417 256 T N 2.432 116.883 114.554 -0.173 0.000 2.791 256 T HA -0.100 4.203 4.350 -0.078 0.000 0.323 256 T C 1.247 175.881 174.700 -0.108 0.000 1.082 256 T CA 0.146 62.175 62.100 -0.119 0.000 1.084 256 T CB 1.132 69.925 68.868 -0.125 0.000 0.992 256 T HN 0.619 8.580 8.240 -0.267 0.119 0.547 257 K N 0.807 121.161 120.400 -0.075 0.000 2.439 257 K HA -0.146 4.143 4.320 -0.052 0.000 0.197 257 K C -0.840 175.717 176.600 -0.072 0.000 1.041 257 K CA 2.541 58.792 56.287 -0.060 0.000 0.970 257 K CB -0.226 32.248 32.500 -0.043 0.000 0.773 257 K HN 0.569 8.779 8.250 -0.068 0.000 0.479 258 D N -5.258 115.086 120.400 -0.094 0.000 2.424 258 D HA 0.015 4.608 4.640 -0.078 0.000 0.220 258 D C 0.202 176.426 176.300 -0.125 0.000 1.150 258 D CA -0.698 53.245 54.000 -0.096 0.000 0.831 258 D CB -0.309 40.435 40.800 -0.093 0.000 0.981 258 D HN -0.705 7.473 8.370 -0.103 0.130 0.500 259 G N -1.117 107.583 108.800 -0.167 0.000 2.141 259 G HA2 -0.343 3.494 3.960 -0.205 0.000 0.231 259 G HA3 -0.343 3.527 3.960 -0.151 0.000 0.231 259 G C -0.570 174.099 174.900 -0.385 0.000 0.984 259 G CA 0.089 45.059 45.100 -0.215 0.000 0.660 259 G HN -0.278 7.856 8.290 -0.166 0.057 0.525 260 G N -1.186 107.361 108.800 -0.420 0.000 2.521 260 G HA2 0.740 4.433 3.960 -0.445 0.000 0.323 260 G HA3 0.740 4.548 3.960 -0.253 0.000 0.323 260 G C -2.480 172.009 174.900 -0.685 0.000 1.211 260 G CA -1.908 42.918 45.100 -0.457 0.000 0.979 260 G HN -0.368 7.732 8.290 -0.316 0.000 0.490 261 Y N -2.249 118.039 120.300 -0.020 0.000 2.429 261 Y HA 0.724 5.416 4.550 -0.046 -0.170 0.342 261 Y C -1.620 174.277 175.900 -0.004 0.000 1.004 261 Y CA -1.610 56.470 58.100 -0.034 0.000 1.075 261 Y CB 3.872 42.293 38.460 -0.065 0.000 1.214 261 Y HN -0.053 8.219 8.280 -0.015 0.000 0.455 262 A N 0.025 122.912 122.820 0.111 0.000 2.355 262 A HA 0.821 5.341 4.320 0.085 -0.149 0.317 262 A C -2.371 175.254 177.584 0.068 0.000 1.094 262 A CA -2.215 49.867 52.037 0.076 0.000 0.764 262 A CB 3.240 22.262 19.000 0.038 0.000 1.230 262 A HN 0.749 8.963 8.150 0.107 0.000 0.448 263 L N 1.695 122.953 121.223 0.057 0.000 2.346 263 L HA 0.811 5.379 4.340 0.030 -0.211 0.276 263 L C 0.093 176.984 176.870 0.036 0.000 1.006 263 L CA -1.816 53.048 54.840 0.041 0.000 0.817 263 L CB 3.367 45.451 42.059 0.043 0.000 1.272 263 L HN 0.633 8.900 8.230 0.062 0.000 0.421 264 T N 6.195 120.764 114.554 0.025 0.000 2.767 264 T HA 0.473 5.015 4.350 0.028 -0.175 0.288 264 T C -1.242 173.474 174.700 0.027 0.000 0.963 264 T CA 0.501 62.615 62.100 0.024 0.000 1.019 264 T CB 0.952 69.829 68.868 0.014 0.000 0.923 264 T HN 0.035 8.286 8.240 0.018 0.000 0.468 265 V N 6.649 126.584 119.914 0.035 0.000 2.525 265 V HA 0.501 4.820 4.120 0.043 -0.173 0.299 265 V C -1.647 174.449 176.094 0.005 0.000 1.034 265 V CA -1.952 60.376 62.300 0.047 0.000 0.863 265 V CB 2.045 33.932 31.823 0.107 0.000 0.999 265 V HN 0.698 8.908 8.190 0.033 0.000 0.423 266 E N 6.806 126.992 120.200 -0.024 0.000 2.200 266 E HA 0.396 4.843 4.350 -0.078 -0.143 0.283 266 E C -1.565 174.925 176.600 -0.184 0.000 1.015 266 E CA -1.188 55.166 56.400 -0.077 0.000 0.819 266 E CB 1.907 31.577 29.700 -0.050 0.000 1.081 266 E HN 0.421 8.779 8.360 -0.003 0.000 0.397 267 Q N 6.915 126.543 119.800 -0.287 0.000 2.290 267 Q HA 0.730 4.942 4.340 -0.588 -0.225 0.259 267 Q C -1.180 174.692 176.000 -0.213 0.000 0.941 267 Q CA -1.053 54.479 55.803 -0.452 0.000 0.912 267 Q CB 2.467 30.863 28.738 -0.571 0.000 1.244 267 Q HN 0.416 8.555 8.270 -0.218 0.000 0.441 268 K N 7.187 127.497 120.400 -0.151 0.000 2.306 268 K HA 0.855 5.291 4.320 -0.094 -0.172 0.236 268 K C -0.697 175.866 176.600 -0.062 0.000 1.013 268 K CA -1.794 54.438 56.287 -0.091 0.000 0.857 268 K CB 3.660 36.110 32.500 -0.083 0.000 1.214 268 K HN 0.078 8.236 8.250 -0.154 0.000 0.449 269 D N -1.026 119.345 120.400 -0.047 0.000 2.466 269 D HA 0.212 4.829 4.640 -0.038 0.000 0.262 269 D C 1.680 177.960 176.300 -0.034 0.000 1.177 269 D CA -1.470 52.509 54.000 -0.035 0.000 1.035 269 D CB 0.964 41.751 40.800 -0.023 0.000 1.105 269 D HN 0.102 8.442 8.370 -0.051 0.000 0.551 270 T N -7.592 106.922 114.554 -0.068 0.000 3.113 270 T HA -0.217 3.982 4.350 -0.251 0.000 0.263 270 T C 0.249 174.887 174.700 -0.103 0.000 1.143 270 T CA 2.172 64.152 62.100 -0.200 0.000 1.090 270 T CB -0.261 68.431 68.868 -0.294 0.000 0.922 270 T HN 0.110 8.318 8.240 -0.053 0.000 0.521 271 D N 1.077 121.510 120.400 0.054 0.000 2.340 271 D HA 0.054 4.800 4.640 0.176 0.000 0.220 271 D C 1.011 177.443 176.300 0.219 0.000 1.039 271 D CA 0.550 54.638 54.000 0.147 0.000 0.866 271 D CB -0.002 40.852 40.800 0.090 0.000 0.913 271 D HN -0.579 7.944 8.370 0.033 -0.133 0.523 272 G N -1.024 107.850 108.800 0.123 0.000 2.159 272 G HA2 -0.485 3.308 3.960 -0.278 0.000 0.256 272 G HA3 -0.485 3.241 3.960 -0.389 0.000 0.256 272 G C -0.896 173.915 174.900 -0.148 0.000 0.977 272 G CA 0.075 45.065 45.100 -0.183 0.000 0.652 272 G HN -0.288 7.933 8.290 0.115 0.138 0.531 273 K N 1.008 121.369 120.400 -0.065 0.000 2.350 273 K HA -0.028 4.250 4.320 -0.070 0.000 0.279 273 K C -0.751 175.805 176.600 -0.073 0.000 1.027 273 K CA -0.312 55.938 56.287 -0.062 0.000 0.969 273 K CB 1.165 33.645 32.500 -0.034 0.000 0.954 273 K HN -0.469 7.991 8.250 -0.029 -0.228 0.474 274 L N 6.500 127.679 121.223 -0.074 0.000 2.418 274 L HA -0.093 4.196 4.340 -0.085 0.000 0.274 274 L C -0.293 176.540 176.870 -0.060 0.000 1.135 274 L CA 1.184 55.980 54.840 -0.073 0.000 0.870 274 L CB 0.132 42.151 42.059 -0.065 0.000 1.154 274 L HN 0.440 8.627 8.230 -0.072 0.000 0.462 275 L N 8.017 129.199 121.223 -0.070 0.000 2.316 275 L HA 0.098 4.412 4.340 -0.044 0.000 0.207 275 L C 0.294 177.132 176.870 -0.053 0.000 1.070 275 L CA 0.704 55.509 54.840 -0.057 0.000 0.820 275 L CB 0.610 42.632 42.059 -0.062 0.000 0.992 275 L HN 0.960 9.139 8.230 -0.086 0.000 0.466 276 A N -3.240 119.538 122.820 -0.070 0.000 2.605 276 A HA 0.306 4.603 4.320 -0.037 0.000 0.294 276 A C -2.459 175.089 177.584 -0.061 0.000 1.062 276 A CA 0.100 52.105 52.037 -0.054 0.000 0.682 276 A CB 2.519 21.493 19.000 -0.044 0.000 1.278 276 A HN -0.659 7.437 8.150 -0.090 0.000 0.410 277 T N 3.444 117.978 114.554 -0.033 0.000 2.786 277 T HA 0.619 5.118 4.350 -0.034 -0.169 0.283 277 T C -0.585 174.114 174.700 -0.002 0.000 0.992 277 T CA -0.648 61.438 62.100 -0.023 0.000 0.954 277 T CB 1.196 70.055 68.868 -0.016 0.000 0.934 277 T HN 0.125 8.350 8.240 -0.024 0.000 0.440 278 K N 7.102 127.511 120.400 0.014 0.000 2.267 278 K HA 0.340 4.679 4.320 0.032 0.000 0.246 278 K C -1.524 175.101 176.600 0.041 0.000 0.954 278 K CA -1.817 54.492 56.287 0.037 0.000 0.824 278 K CB 2.624 35.168 32.500 0.074 0.000 1.167 278 K HN 0.696 8.952 8.250 0.010 0.000 0.431 279 E N 1.212 121.436 120.200 0.041 0.000 2.145 279 E HA 0.716 5.316 4.350 0.041 -0.225 0.270 279 E C -0.801 175.831 176.600 0.053 0.000 0.906 279 E CA -1.483 54.942 56.400 0.042 0.000 0.761 279 E CB 1.158 30.878 29.700 0.033 0.000 1.116 279 E HN 0.161 8.545 8.360 0.040 0.000 0.408 280 I N 6.718 127.323 120.570 0.058 0.000 2.465 280 I HA 0.256 4.775 4.170 0.061 -0.313 0.291 280 I C -1.386 174.775 176.117 0.073 0.000 1.014 280 I CA -0.921 60.414 61.300 0.060 0.000 1.093 280 I CB 2.964 40.993 38.000 0.049 0.000 1.267 280 I HN 0.361 8.604 8.210 0.055 0.000 0.431 281 S N 5.752 121.512 115.700 0.099 0.000 2.638 281 S HA 1.067 5.784 4.470 0.123 -0.173 0.302 281 S C -1.030 173.670 174.600 0.165 0.000 1.096 281 S CA -2.554 55.732 58.200 0.145 0.000 0.953 281 S CB 3.152 66.445 63.200 0.155 0.000 1.107 281 S HN 0.251 8.623 8.310 0.104 0.000 0.503 282 C N -3.981 115.444 119.300 0.209 0.000 3.306 282 C HA 0.860 5.519 4.460 0.034 -0.178 0.335 282 C C -0.425 174.691 174.990 0.210 0.000 1.382 282 C CA -1.390 57.720 59.018 0.154 0.000 1.254 282 C CB 3.637 31.430 27.740 0.089 0.000 1.555 282 C HN 0.532 8.882 8.230 0.201 0.000 0.463 283 R N 1.811 122.390 120.500 0.131 0.000 2.075 283 R HA -0.036 4.248 4.340 -0.094 0.000 0.220 283 R C -0.544 175.617 176.300 -0.233 0.000 1.118 283 R CA 1.735 57.740 56.100 -0.158 0.000 0.986 283 R CB 1.362 31.455 30.300 -0.345 0.000 0.884 283 R HN -0.026 8.310 8.270 0.111 0.000 0.439 284 Y N -3.951 116.501 120.300 0.253 0.000 2.341 284 Y HA 0.374 5.197 4.550 0.202 -0.152 0.338 284 Y C -1.841 174.180 175.900 0.202 0.000 0.965 284 Y CA -1.700 56.552 58.100 0.252 0.000 1.108 284 Y CB 2.710 41.413 38.460 0.405 0.000 1.180 284 Y HN -0.225 8.133 8.280 0.131 0.000 0.458 285 L N 2.630 123.911 121.223 0.097 0.000 2.349 285 L HA 0.653 5.248 4.340 0.171 -0.152 0.278 285 L C -2.338 174.451 176.870 -0.136 0.000 0.996 285 L CA -1.391 53.443 54.840 -0.010 0.000 0.825 285 L CB 3.363 45.262 42.059 -0.266 0.000 1.243 285 L HN 0.323 8.523 8.230 -0.051 0.000 0.412 286 F N 5.695 125.701 119.950 0.094 0.000 2.449 286 F HA 0.412 5.199 4.527 0.167 -0.161 0.342 286 F C -1.544 174.264 175.800 0.014 0.000 1.127 286 F CA -1.698 56.363 58.000 0.101 0.000 0.975 286 F CB 2.882 41.931 39.000 0.081 0.000 1.146 286 F HN 0.781 9.334 8.300 0.422 0.000 0.444 287 L N 2.924 124.224 121.223 0.129 0.000 2.264 287 L HA 0.211 4.577 4.340 0.042 0.000 0.289 287 L C -0.355 176.558 176.870 0.071 0.000 1.044 287 L CA -0.242 54.630 54.840 0.053 0.000 0.807 287 L CB 0.361 42.409 42.059 -0.018 0.000 1.192 287 L HN 0.790 9.085 8.230 0.107 0.000 0.425 288 G N 2.697 111.526 108.800 0.047 0.000 4.683 288 G HA2 0.285 4.406 3.960 0.035 0.000 0.273 288 G HA3 0.285 4.258 3.960 0.023 0.000 0.273 288 G C -1.056 173.849 174.900 0.009 0.000 1.065 288 G CA 0.338 45.455 45.100 0.029 0.000 0.837 288 G HN 0.720 9.034 8.290 0.040 0.000 0.526 289 A N 0.758 123.578 122.820 0.001 0.000 2.278 289 A HA 0.136 4.446 4.320 -0.016 0.000 0.212 289 A C -0.954 176.627 177.584 -0.006 0.000 1.213 289 A CA -0.662 51.367 52.037 -0.013 0.000 0.840 289 A CB 0.277 19.262 19.000 -0.026 0.000 0.866 289 A HN -0.371 7.793 8.150 0.002 -0.014 0.489 290 G N -1.958 106.853 108.800 0.018 0.000 2.746 290 G HA2 -0.375 3.626 3.960 0.068 0.000 0.685 290 G HA3 -0.375 3.618 3.960 0.055 0.000 0.685 290 G C 0.191 175.118 174.900 0.045 0.000 1.350 290 G CA -0.513 44.616 45.100 0.049 0.000 0.837 290 G HN -0.418 8.054 8.290 0.021 -0.169 0.564 291 S N -0.187 115.576 115.700 0.105 0.000 2.372 291 S HA -0.421 4.176 4.470 0.119 -0.056 0.227 291 S C 1.652 176.265 174.600 0.021 0.000 1.044 291 S CA 3.083 61.372 58.200 0.148 0.000 1.050 291 S CB 0.063 63.455 63.200 0.321 0.000 0.901 291 S HN 0.414 8.801 8.310 0.128 0.000 0.447 292 L N -2.404 118.844 121.223 0.042 0.000 2.044 292 L HA -0.166 3.969 4.340 -0.341 0.000 0.205 292 L C 2.322 179.085 176.870 -0.179 0.000 1.075 292 L CA 2.043 56.820 54.840 -0.106 0.000 0.747 292 L CB -0.529 41.591 42.059 0.102 0.000 0.903 292 L HN -0.346 7.958 8.230 0.122 0.000 0.435 293 G N -2.421 106.333 108.800 -0.078 0.000 2.394 293 G HA2 -0.273 3.645 3.960 -0.070 0.000 0.215 293 G HA3 -0.273 3.799 3.960 -0.052 -0.143 0.215 293 G C 1.279 176.123 174.900 -0.093 0.000 1.165 293 G CA 1.900 46.956 45.100 -0.074 0.000 0.784 293 G HN -0.437 7.832 8.290 -0.035 0.000 0.535 294 S N 2.622 118.271 115.700 -0.085 0.000 2.368 294 S HA -0.324 4.102 4.470 -0.073 0.000 0.224 294 S C 2.024 176.547 174.600 -0.128 0.000 1.029 294 S CA 3.749 61.899 58.200 -0.083 0.000 0.988 294 S CB 0.075 63.247 63.200 -0.046 0.000 0.838 294 S HN 0.035 8.305 8.310 -0.066 0.000 0.462 295 T N 5.164 119.598 114.554 -0.199 0.000 2.746 295 T HA -0.354 3.892 4.350 -0.173 0.000 0.267 295 T C 1.544 176.085 174.700 -0.266 0.000 1.039 295 T CA 4.779 66.713 62.100 -0.275 0.000 1.142 295 T CB -0.033 68.520 68.868 -0.524 0.000 0.866 295 T HN -0.710 7.408 8.240 -0.204 0.000 0.444 296 E N 2.022 122.053 120.200 -0.281 0.000 2.077 296 E HA -0.313 3.966 4.350 -0.119 0.000 0.193 296 E C 2.230 178.777 176.600 -0.089 0.000 0.989 296 E CA 3.203 59.518 56.400 -0.142 0.000 0.800 296 E CB -0.230 29.423 29.700 -0.079 0.000 0.746 296 E HN -0.534 7.634 8.360 -0.319 0.000 0.452 297 L N -1.532 119.633 121.223 -0.097 0.000 2.042 297 L HA -0.374 3.919 4.340 -0.079 0.000 0.210 297 L C 2.382 179.177 176.870 -0.125 0.000 1.076 297 L CA 3.239 58.023 54.840 -0.095 0.000 0.749 297 L CB -0.038 41.968 42.059 -0.088 0.000 0.893 297 L HN -0.526 7.641 8.230 -0.105 0.000 0.432 298 L N -2.606 118.541 121.223 -0.126 0.000 2.131 298 L HA -0.398 3.855 4.340 -0.145 0.000 0.206 298 L C 2.144 178.941 176.870 -0.121 0.000 1.087 298 L CA 2.930 57.694 54.840 -0.127 0.000 0.767 298 L CB -0.433 41.563 42.059 -0.105 0.000 0.917 298 L HN -0.525 7.631 8.230 -0.123 0.000 0.441 299 V N -0.417 119.434 119.914 -0.104 0.000 2.343 299 V HA -0.486 3.591 4.120 -0.070 0.000 0.247 299 V C 1.766 177.692 176.094 -0.280 0.000 1.051 299 V CA 4.196 66.441 62.300 -0.092 0.000 1.036 299 V CB -0.907 30.922 31.823 0.010 0.000 0.654 299 V HN 0.189 8.319 8.190 -0.099 0.000 0.451 300 R N -0.044 120.240 120.500 -0.360 0.000 2.083 300 R HA -0.483 2.962 4.340 -1.492 0.000 0.237 300 R C 2.432 178.452 176.300 -0.467 0.000 1.137 300 R CA 4.100 59.787 56.100 -0.688 0.000 0.951 300 R CB -0.230 29.881 30.300 -0.316 0.000 0.851 300 R HN -0.078 8.066 8.270 -0.211 0.000 0.434 301 A N -1.186 121.477 122.820 -0.262 0.000 1.902 301 A HA -0.166 4.054 4.320 -0.168 0.000 0.217 301 A C 2.403 179.895 177.584 -0.154 0.000 1.181 301 A CA 2.721 54.648 52.037 -0.184 0.000 0.623 301 A CB -0.657 18.245 19.000 -0.163 0.000 0.818 301 A HN -0.173 7.841 8.150 -0.227 0.000 0.443 302 R N -1.008 119.407 120.500 -0.141 0.000 2.070 302 R HA -0.274 4.240 4.340 -0.031 -0.193 0.233 302 R C 1.667 177.913 176.300 -0.089 0.000 1.137 302 R CA 2.986 59.042 56.100 -0.074 0.000 0.945 302 R CB 0.182 30.457 30.300 -0.042 0.000 0.845 302 R HN -0.170 8.006 8.270 -0.156 0.000 0.430 303 D N -3.169 117.126 120.400 -0.174 0.000 2.347 303 D HA -0.016 4.609 4.640 -0.024 0.000 0.213 303 D C 1.591 177.833 176.300 -0.097 0.000 0.985 303 D CA 2.138 56.073 54.000 -0.109 0.000 0.879 303 D CB 0.003 40.777 40.800 -0.043 0.000 0.919 303 D HN -0.372 7.838 8.370 -0.268 0.000 0.526 304 T N -6.495 107.953 114.554 -0.175 0.000 3.069 304 T HA 0.204 4.554 4.350 0.001 0.000 0.252 304 T C 1.095 175.773 174.700 -0.036 0.000 1.053 304 T CA -0.423 61.636 62.100 -0.069 0.000 0.964 304 T CB 0.718 69.535 68.868 -0.084 0.000 1.005 304 T HN -0.343 7.705 8.240 -0.265 0.032 0.532 305 G N 2.598 111.375 108.800 -0.038 0.000 2.143 305 G HA2 -0.315 3.646 3.960 0.002 0.000 0.249 305 G HA3 -0.315 3.646 3.960 0.002 0.000 0.249 305 G C 0.495 175.392 174.900 -0.005 0.000 0.981 305 G CA 0.607 45.702 45.100 -0.008 0.000 0.665 305 G HN -0.420 7.671 8.290 -0.060 0.163 0.528 306 T N -3.142 111.395 114.554 -0.028 0.000 3.054 306 T HA -0.035 4.312 4.350 -0.005 0.000 0.259 306 T C -0.275 174.413 174.700 -0.021 0.000 1.092 306 T CA 0.885 62.971 62.100 -0.022 0.000 1.121 306 T CB 0.923 69.767 68.868 -0.039 0.000 0.912 306 T HN -0.366 7.801 8.240 -0.052 0.042 0.489 307 L N 0.984 122.188 121.223 -0.032 0.000 2.529 307 L HA 0.684 5.059 4.340 0.057 0.000 0.246 307 L C -2.116 174.837 176.870 0.138 0.000 1.394 307 L CA -2.607 52.225 54.840 -0.013 0.000 0.906 307 L CB 1.066 42.953 42.059 -0.287 0.000 1.170 307 L HN -0.410 7.691 8.230 -0.045 0.102 0.501 308 P HA 0.010 4.471 4.420 0.068 0.000 0.230 308 P C -0.212 177.161 177.300 0.122 0.000 1.158 308 P CA 1.148 64.312 63.100 0.106 0.000 0.769 308 P CB 0.071 31.814 31.700 0.071 0.000 0.807 309 N N -1.633 117.188 118.700 0.203 0.000 2.268 309 N HA 0.140 4.894 4.740 0.023 0.000 0.204 309 N C -0.030 175.555 175.510 0.124 0.000 1.124 309 N CA -0.673 52.407 53.050 0.050 0.000 0.838 309 N CB 0.316 38.683 38.487 -0.200 0.000 0.994 309 N HN -0.363 8.185 8.380 0.373 0.055 0.489 310 L N -0.395 120.979 121.223 0.253 0.000 2.461 310 L HA -0.197 4.265 4.340 0.204 0.000 0.272 310 L C 0.162 177.080 176.870 0.081 0.000 1.197 310 L CA 0.875 55.818 54.840 0.172 0.000 0.836 310 L CB 0.396 42.522 42.059 0.112 0.000 1.105 310 L HN -0.892 7.449 8.230 0.287 0.061 0.477 311 N N 0.528 119.265 118.700 0.061 0.000 2.405 311 N HA 0.062 4.823 4.740 0.036 0.000 0.269 311 N C 0.523 176.057 175.510 0.041 0.000 1.249 311 N CA -0.982 52.093 53.050 0.041 0.000 0.974 311 N CB 0.749 39.256 38.487 0.032 0.000 1.204 311 N HN 0.016 8.437 8.380 0.068 0.000 0.565 312 S N -2.682 113.040 115.700 0.037 0.000 2.522 312 S HA -0.153 4.344 4.470 0.044 0.000 0.227 312 S C 1.206 175.836 174.600 0.049 0.000 0.986 312 S CA 2.352 60.577 58.200 0.042 0.000 0.929 312 S CB -0.098 63.124 63.200 0.036 0.000 0.769 312 S HN 0.343 8.673 8.310 0.033 0.000 0.529 313 E N 1.481 121.709 120.200 0.047 0.000 2.358 313 E HA -0.109 4.277 4.350 0.060 0.000 0.195 313 E C -0.034 176.605 176.600 0.065 0.000 1.010 313 E CA 0.615 57.048 56.400 0.055 0.000 0.856 313 E CB 0.023 29.750 29.700 0.045 0.000 0.795 313 E HN -0.541 7.991 8.360 0.042 -0.147 0.504 314 V N -0.193 119.755 119.914 0.056 0.000 2.540 314 V HA -0.580 3.570 4.120 0.051 0.000 0.297 314 V C 0.507 176.650 176.094 0.081 0.000 1.024 314 V CA 2.579 64.911 62.300 0.053 0.000 1.105 314 V CB -0.714 31.125 31.823 0.028 0.000 0.938 314 V HN -0.818 7.504 8.190 0.050 -0.103 0.482 315 G N 6.701 115.570 108.800 0.116 0.000 2.254 315 G HA2 -0.405 3.701 3.960 0.243 0.000 0.225 315 G HA3 -0.405 3.669 3.960 0.189 0.000 0.225 315 G C -1.497 173.567 174.900 0.274 0.000 1.003 315 G CA 0.194 45.420 45.100 0.210 0.000 0.622 315 G HN 0.902 9.252 8.290 0.099 0.000 0.507 316 A N 0.353 123.288 122.820 0.191 0.000 2.257 316 A HA 0.326 4.753 4.320 0.178 0.000 0.289 316 A C -0.548 177.161 177.584 0.208 0.000 1.095 316 A CA -1.504 50.639 52.037 0.176 0.000 0.836 316 A CB 1.236 20.305 19.000 0.115 0.000 1.111 316 A HN -0.582 7.592 8.150 0.151 0.067 0.497 317 G N -2.638 106.277 108.800 0.192 0.000 2.182 317 G HA2 -0.405 3.640 3.960 0.140 0.000 0.248 317 G HA3 -0.405 3.632 3.960 0.128 0.000 0.248 317 G C -0.644 174.383 174.900 0.211 0.000 1.042 317 G CA -0.126 45.073 45.100 0.165 0.000 0.775 317 G HN 0.365 8.763 8.290 0.179 0.000 0.501 318 W N 2.626 123.984 121.300 0.096 0.000 2.315 318 W HA 0.257 5.151 4.660 0.096 -0.176 0.316 318 W C -2.025 174.506 176.519 0.021 0.000 1.211 318 W CA 0.065 57.452 57.345 0.071 0.000 1.201 318 W CB 1.581 31.057 29.460 0.026 0.000 1.184 318 W HN -0.378 8.047 8.180 0.409 0.000 0.544 319 G N 3.919 112.155 108.800 -0.941 0.000 2.690 319 G HA2 0.472 3.843 3.960 -0.981 0.000 0.291 319 G HA3 0.472 4.107 3.960 -0.542 0.000 0.291 319 G C -3.077 170.836 174.900 -1.645 0.000 1.403 319 G CA -1.230 43.229 45.100 -1.068 0.000 0.864 319 G HN 0.667 8.318 8.290 -1.066 0.000 0.480 320 P HA 0.254 4.092 4.420 -0.970 0.000 0.249 320 P C -0.542 176.501 177.300 -0.428 0.000 1.583 320 P CA -1.030 61.538 63.100 -0.887 0.000 0.988 320 P CB -0.294 30.976 31.700 -0.718 0.000 1.530 321 N N -0.120 118.391 118.700 -0.315 0.000 2.708 321 N HA -0.434 4.386 4.740 -0.055 -0.112 0.249 321 N C -0.221 175.276 175.510 -0.023 0.000 1.097 321 N CA 1.071 54.070 53.050 -0.085 0.000 0.710 321 N CB -1.115 37.405 38.487 0.055 0.000 1.032 321 N HN -0.282 7.758 8.380 -0.415 0.091 0.551 322 G N -7.151 101.612 108.800 -0.062 0.000 2.258 322 G HA2 -0.558 3.412 3.960 0.016 0.000 0.274 322 G HA3 -0.558 3.644 3.960 0.096 -0.185 0.274 322 G C -0.576 174.311 174.900 -0.021 0.000 1.021 322 G CA 0.659 45.768 45.100 0.015 0.000 0.798 322 G HN 0.570 8.746 8.290 -0.134 0.033 0.507 323 N N 1.177 119.773 118.700 -0.173 0.000 2.468 323 N HA 0.195 5.061 4.740 -0.115 -0.196 0.265 323 N C -1.199 174.175 175.510 -0.225 0.000 1.199 323 N CA 0.985 53.877 53.050 -0.265 0.000 0.928 323 N CB 0.924 39.021 38.487 -0.650 0.000 1.059 323 N HN -0.631 7.578 8.380 -0.243 0.025 0.467 324 I N 1.833 122.431 120.570 0.047 0.000 2.656 324 I HA 0.467 4.929 4.170 0.218 -0.161 0.292 324 I C -2.047 174.253 176.117 0.305 0.000 1.144 324 I CA -2.292 59.133 61.300 0.209 0.000 1.038 324 I CB 4.156 42.286 38.000 0.217 0.000 1.244 324 I HN 0.190 8.462 8.210 0.102 0.000 0.420 325 M N 6.896 126.641 119.600 0.241 0.000 2.404 325 M HA 0.861 5.592 4.480 0.099 -0.191 0.338 325 M C -1.632 174.667 176.300 -0.002 0.000 1.150 325 M CA -1.068 54.243 55.300 0.019 0.000 1.016 325 M CB 3.437 35.839 32.600 -0.330 0.000 1.672 325 M HN -0.003 8.452 8.290 0.274 0.000 0.448 326 T N 4.102 118.673 114.554 0.029 0.000 2.762 326 T HA 0.733 5.193 4.350 -0.046 -0.137 0.301 326 T C -2.733 171.949 174.700 -0.031 0.000 1.299 326 T CA -2.397 59.626 62.100 -0.129 0.000 1.005 326 T CB 2.336 70.880 68.868 -0.539 0.000 1.377 326 T HN 0.233 8.509 8.240 0.060 0.000 0.504 327 A N -0.498 122.276 122.820 -0.077 0.000 2.574 327 A HA 0.918 5.410 4.320 0.018 -0.160 0.297 327 A C -2.248 175.367 177.584 0.052 0.000 1.062 327 A CA -0.896 51.132 52.037 -0.016 0.000 0.686 327 A CB 3.553 22.492 19.000 -0.102 0.000 1.285 327 A HN 0.352 8.394 8.150 -0.181 0.000 0.403 328 R N 0.168 120.720 120.500 0.086 0.000 2.711 328 R HA 0.441 4.875 4.340 -0.018 -0.105 0.284 328 R C -1.509 174.786 176.300 -0.008 0.000 0.968 328 R CA -1.877 54.243 56.100 0.032 0.000 0.924 328 R CB 4.270 34.620 30.300 0.084 0.000 1.162 328 R HN 0.472 8.798 8.270 0.093 0.000 0.465 329 A N 3.190 125.986 122.820 -0.041 0.000 2.269 329 A HA 0.211 4.535 4.320 0.007 0.000 0.302 329 A C -1.408 176.106 177.584 -0.115 0.000 1.266 329 A CA -0.964 51.052 52.037 -0.035 0.000 0.894 329 A CB 0.682 19.669 19.000 -0.023 0.000 1.147 329 A HN 0.282 8.396 8.150 -0.060 0.000 0.537 330 N N 5.831 124.484 118.700 -0.077 0.000 2.467 330 N HA -0.016 4.538 4.740 -0.311 0.000 0.262 330 N C -0.314 175.012 175.510 -0.306 0.000 1.234 330 N CA -0.007 52.931 53.050 -0.187 0.000 0.952 330 N CB 1.521 39.992 38.487 -0.025 0.000 1.158 330 N HN -0.309 8.078 8.380 0.012 0.000 0.463 331 H N 0.672 119.474 119.070 -0.447 0.000 2.929 331 H HA -0.051 4.029 4.556 -0.794 0.000 0.358 331 H C 1.682 176.574 175.328 -0.728 0.000 1.111 331 H CA 1.104 56.598 56.048 -0.923 0.000 1.409 331 H CB 0.886 29.420 29.762 -2.047 0.000 1.373 331 H HN 0.177 7.941 8.280 -0.861 0.000 0.610 332 M N 0.046 119.305 119.600 -0.568 0.000 2.267 332 M HA -0.287 3.761 4.480 -0.721 0.000 0.263 332 M C 1.585 177.989 176.300 0.174 0.000 1.063 332 M CA 3.928 59.038 55.300 -0.316 0.000 1.090 332 M CB -0.280 32.200 32.600 -0.199 0.000 1.392 332 M HN 0.383 8.299 8.290 -0.624 0.000 0.422 333 W N -5.632 115.773 121.300 0.176 0.000 3.077 333 W HA -0.070 4.683 4.660 0.154 0.000 0.245 333 W C -0.990 175.638 176.519 0.182 0.000 1.316 333 W CA -0.663 56.776 57.345 0.158 0.000 1.537 333 W CB -0.507 28.999 29.460 0.077 0.000 1.131 333 W HN -0.269 7.727 8.180 -0.257 0.030 0.695 334 N N 0.138 118.895 118.700 0.096 0.000 2.818 334 N HA 0.371 5.188 4.740 0.128 0.000 0.301 334 N C -2.603 172.971 175.510 0.106 0.000 1.821 334 N CA -2.174 50.932 53.050 0.094 0.000 0.930 334 N CB -0.428 38.066 38.487 0.012 0.000 1.263 334 N HN -0.376 7.803 8.380 -0.033 0.182 0.487 335 P HA -0.008 4.138 4.420 -0.586 -0.078 0.269 335 P C -0.553 176.606 177.300 -0.236 0.000 1.215 335 P CA -0.042 62.875 63.100 -0.306 0.000 0.780 335 P CB 0.490 31.966 31.700 -0.375 0.000 0.898 336 T N -5.191 109.171 114.554 -0.321 0.000 3.060 336 T HA 0.042 4.333 4.350 -0.099 0.000 0.249 336 T C -0.270 174.311 174.700 -0.198 0.000 1.079 336 T CA -0.124 61.871 62.100 -0.176 0.000 1.013 336 T CB 1.021 69.816 68.868 -0.123 0.000 0.975 336 T HN 0.112 8.365 8.240 -0.478 -0.300 0.518 337 G N 0.766 109.367 108.800 -0.332 0.000 2.697 337 G HA2 -0.223 3.521 3.960 -0.371 0.000 0.686 337 G HA3 -0.223 3.567 3.960 -0.283 0.000 0.686 337 G C -0.617 174.048 174.900 -0.392 0.000 1.179 337 G CA -0.478 44.415 45.100 -0.344 0.000 0.765 337 G HN -0.637 7.823 8.290 -0.426 -0.426 0.649 338 A N 1.192 123.742 122.820 -0.450 0.000 2.067 338 A HA -0.127 3.959 4.320 -0.389 0.000 0.217 338 A C -0.975 176.417 177.584 -0.319 0.000 1.156 338 A CA 1.038 52.816 52.037 -0.431 0.000 0.683 338 A CB 0.732 19.431 19.000 -0.501 0.000 0.808 338 A HN 0.290 8.150 8.150 -0.483 0.000 0.455 339 H N -0.812 117.993 119.070 -0.443 0.000 2.661 339 H HA 0.206 4.494 4.556 -0.448 0.000 0.290 339 H C -1.764 173.320 175.328 -0.406 0.000 1.082 339 H CA -1.772 53.888 56.048 -0.646 0.000 1.234 339 H CB 0.373 29.300 29.762 -1.392 0.000 1.387 339 H HN -0.040 7.933 8.280 -0.446 0.039 0.476 340 Q N 6.000 125.812 119.800 0.019 0.000 2.310 340 Q HA 0.332 4.866 4.340 0.067 -0.153 0.270 340 Q C -1.523 174.531 176.000 0.090 0.000 1.025 340 Q CA -1.591 54.187 55.803 -0.041 0.000 0.772 340 Q CB 2.559 31.015 28.738 -0.470 0.000 1.253 340 Q HN 0.293 8.607 8.270 0.073 0.000 0.450 341 S N 3.848 119.621 115.700 0.121 0.000 2.552 341 S HA -0.308 4.273 4.470 -0.018 -0.122 0.289 341 S C 0.920 175.472 174.600 -0.080 0.000 1.304 341 S CA 0.754 58.932 58.200 -0.036 0.000 1.063 341 S CB 0.778 63.816 63.200 -0.271 0.000 0.848 341 S HN 0.135 8.516 8.310 0.118 0.000 0.499 342 S N 5.016 120.660 115.700 -0.095 0.000 2.561 342 S HA -0.004 4.390 4.470 -0.127 0.000 0.225 342 S C 0.519 175.098 174.600 -0.035 0.000 0.977 342 S CA 1.154 59.295 58.200 -0.098 0.000 0.926 342 S CB 0.502 63.636 63.200 -0.110 0.000 0.769 342 S HN 0.195 8.435 8.310 -0.117 0.000 0.533 343 I N 3.598 124.184 120.570 0.027 0.000 2.312 343 I HA 0.398 4.622 4.170 0.090 0.000 0.290 343 I C -2.077 174.290 176.117 0.416 0.000 1.008 343 I CA -3.952 57.426 61.300 0.129 0.000 1.226 343 I CB -0.489 37.481 38.000 -0.048 0.000 1.371 343 I HN -0.901 7.247 8.210 0.012 0.068 0.468 344 P HA 0.062 4.908 4.420 0.710 0.000 0.271 344 P C -1.551 176.042 177.300 0.488 0.000 1.218 344 P CA -0.096 63.312 63.100 0.513 0.000 0.780 344 P CB 0.541 32.454 31.700 0.356 0.000 0.901 345 A N -0.262 122.815 122.820 0.427 0.000 2.340 345 A HA 0.336 4.807 4.320 0.252 0.000 0.213 345 A C -1.741 175.881 177.584 0.063 0.000 1.299 345 A CA -0.533 51.611 52.037 0.178 0.000 0.994 345 A CB 2.127 21.016 19.000 -0.185 0.000 1.132 345 A HN 0.511 8.957 8.150 0.492 0.000 0.519 346 L N -2.153 119.117 121.223 0.079 0.000 2.401 346 L HA 0.914 5.363 4.340 -0.128 -0.186 0.266 346 L C -1.842 175.101 176.870 0.121 0.000 0.991 346 L CA -0.813 54.006 54.840 -0.035 0.000 0.818 346 L CB 4.437 46.416 42.059 -0.133 0.000 1.321 346 L HN -0.588 7.751 8.230 0.181 0.000 0.413 347 G N 1.585 110.467 108.800 0.137 0.000 2.658 347 G HA2 0.806 5.109 3.960 0.297 0.000 0.292 347 G HA3 0.806 5.003 3.960 0.392 -0.002 0.292 347 G C -2.595 172.426 174.900 0.202 0.000 1.320 347 G CA -1.471 43.796 45.100 0.279 0.000 0.933 347 G HN 0.522 8.853 8.290 0.069 0.000 0.476 348 I N -0.696 120.005 120.570 0.217 0.000 2.312 348 I HA 0.270 4.592 4.170 -0.033 -0.171 0.290 348 I C -1.636 174.377 176.117 -0.173 0.000 1.008 348 I CA -0.445 60.869 61.300 0.024 0.000 1.226 348 I CB 1.552 39.563 38.000 0.018 0.000 1.371 348 I HN 0.727 9.023 8.210 0.321 0.107 0.468 349 D N 8.107 128.256 120.400 -0.418 0.000 2.456 349 D HA 0.161 3.942 4.640 -1.431 0.000 0.219 349 D C -1.572 174.474 176.300 -0.424 0.000 1.126 349 D CA -1.031 52.457 54.000 -0.854 0.000 0.890 349 D CB 0.736 41.010 40.800 -0.877 0.000 1.025 349 D HN -0.164 8.033 8.370 -0.289 0.000 0.511 350 A N 4.951 127.584 122.820 -0.312 0.000 2.749 350 A HA 0.315 4.526 4.320 -0.182 0.000 0.299 350 A C -1.016 176.500 177.584 -0.112 0.000 1.105 350 A CA -1.292 50.635 52.037 -0.183 0.000 0.987 350 A CB 0.645 19.537 19.000 -0.181 0.000 1.180 350 A HN 0.462 8.429 8.150 -0.304 0.000 0.528 351 W N 2.117 123.263 121.300 -0.256 0.000 2.291 351 W HA 0.222 4.798 4.660 -0.141 0.000 0.312 351 W C -2.477 173.959 176.519 -0.138 0.000 1.061 351 W CA -0.593 56.653 57.345 -0.166 0.000 1.296 351 W CB 2.101 31.505 29.460 -0.093 0.000 1.223 351 W HN -0.185 8.356 8.180 -0.070 -0.403 0.421 352 D N 4.777 125.025 120.400 -0.254 0.000 2.513 352 D HA 0.056 4.714 4.640 0.031 0.000 0.222 352 D C -0.175 176.037 176.300 -0.147 0.000 1.210 352 D CA -1.663 52.273 54.000 -0.107 0.000 0.825 352 D CB 1.034 41.766 40.800 -0.113 0.000 1.037 352 D HN -0.265 7.820 8.370 -0.475 0.000 0.506 353 N N -4.256 114.203 118.700 -0.402 0.000 2.980 353 N HA -0.328 4.202 4.740 -0.350 0.000 0.219 353 N C -1.180 174.170 175.510 -0.267 0.000 0.883 353 N CA 2.092 55.003 53.050 -0.231 0.000 1.018 353 N CB -0.925 37.660 38.487 0.163 0.000 1.041 353 N HN -0.073 7.773 8.380 -0.890 0.000 0.592 354 S N -0.378 115.132 115.700 -0.316 0.000 2.624 354 S HA 0.204 4.583 4.470 -0.151 0.000 0.263 354 S C 0.551 174.964 174.600 -0.311 0.000 1.287 354 S CA -0.203 57.857 58.200 -0.235 0.000 0.990 354 S CB 1.650 64.739 63.200 -0.185 0.000 0.950 354 S HN -0.377 7.918 8.310 -0.343 -0.191 0.561 355 D N -0.473 119.808 120.400 -0.198 0.000 2.350 355 D HA -0.070 4.453 4.640 -0.195 0.000 0.216 355 D C 0.894 177.067 176.300 -0.212 0.000 0.968 355 D CA 2.360 56.249 54.000 -0.184 0.000 0.894 355 D CB -0.695 40.043 40.800 -0.105 0.000 0.909 355 D HN 0.455 8.736 8.370 -0.148 0.000 0.520 356 S N -2.270 113.293 115.700 -0.228 0.000 2.605 356 S HA 0.077 4.443 4.470 -0.173 0.000 0.217 356 S C -0.183 174.245 174.600 -0.287 0.000 0.958 356 S CA 0.034 58.108 58.200 -0.210 0.000 0.919 356 S CB 0.610 63.715 63.200 -0.159 0.000 0.780 356 S HN -0.718 7.411 8.310 -0.223 0.047 0.507 357 S N 2.185 117.592 115.700 -0.487 0.000 2.552 357 S HA -0.184 4.156 4.470 -0.521 -0.183 0.289 357 S C -1.159 173.215 174.600 -0.377 0.000 1.304 357 S CA 2.032 59.822 58.200 -0.684 0.000 1.063 357 S CB 0.750 62.891 63.200 -1.764 0.000 0.848 357 S HN -0.550 7.269 8.310 -0.531 0.172 0.499 358 V N 2.619 122.476 119.914 -0.095 0.000 2.808 358 V HA 0.510 4.991 4.120 0.266 -0.200 0.308 358 V C -2.285 174.010 176.094 0.334 0.000 1.099 358 V CA -1.307 61.092 62.300 0.164 0.000 0.920 358 V CB 3.901 35.752 31.823 0.047 0.000 1.014 358 V HN 0.024 8.025 8.190 -0.123 0.115 0.425 359 F N 7.220 127.373 119.950 0.338 0.000 2.500 359 F HA 0.582 5.391 4.527 0.180 -0.174 0.349 359 F C -2.494 173.429 175.800 0.205 0.000 1.127 359 F CA -2.652 55.482 58.000 0.223 0.000 0.998 359 F CB 3.361 42.447 39.000 0.143 0.000 1.237 359 F HN 0.663 9.332 8.300 0.614 0.000 0.439 360 A N 7.381 130.535 122.820 0.557 0.000 2.304 360 A HA 0.829 5.777 4.320 0.454 -0.355 0.314 360 A C -1.773 176.100 177.584 0.482 0.000 1.187 360 A CA -2.518 49.815 52.037 0.494 0.000 0.810 360 A CB 2.771 22.115 19.000 0.573 0.000 1.183 360 A HN 0.819 9.260 8.150 0.485 0.000 0.487 361 E N 6.570 127.009 120.200 0.397 0.000 2.452 361 E HA -0.175 4.365 4.350 0.316 0.000 0.261 361 E C -0.957 175.885 176.600 0.405 0.000 0.987 361 E CA 0.241 56.847 56.400 0.342 0.000 0.926 361 E CB 1.219 31.082 29.700 0.271 0.000 0.934 361 E HN 0.307 8.883 8.360 0.360 0.000 0.452 362 I N 6.905 127.698 120.570 0.371 0.000 2.308 362 I HA -0.003 4.343 4.170 0.294 0.000 0.293 362 I C -1.798 174.534 176.117 0.357 0.000 1.078 362 I CA -0.236 61.265 61.300 0.334 0.000 1.292 362 I CB -0.492 37.694 38.000 0.309 0.000 1.423 362 I HN -0.264 8.149 8.210 0.340 0.000 0.493 363 A N 7.547 130.477 122.820 0.183 0.000 2.309 363 A HA 0.652 5.240 4.320 0.206 -0.144 0.298 363 A C -2.710 174.845 177.584 -0.049 0.000 1.165 363 A CA -3.395 48.718 52.037 0.127 0.000 0.821 363 A CB 0.932 19.953 19.000 0.036 0.000 1.102 363 A HN 0.374 8.542 8.150 0.030 0.000 0.500 364 P HA 0.055 3.668 4.420 -1.547 -0.121 0.274 364 P C -1.350 175.663 177.300 -0.478 0.000 1.231 364 P CA -0.928 61.642 63.100 -0.883 0.000 0.790 364 P CB 1.058 32.262 31.700 -0.826 0.000 0.951 365 M N 1.935 121.246 119.600 -0.481 0.000 2.080 365 M HA 0.397 4.714 4.480 -0.273 0.000 0.350 365 M C -0.915 175.201 176.300 -0.307 0.000 1.173 365 M CA -3.659 51.428 55.300 -0.356 0.000 1.052 365 M CB 1.089 33.434 32.600 -0.424 0.000 1.577 365 M HN 0.148 8.397 8.290 -0.623 -0.333 0.455 366 P HA 0.134 4.473 4.420 -0.134 0.000 0.249 366 P C -0.560 176.669 177.300 -0.119 0.000 1.229 366 P CA 0.230 63.249 63.100 -0.136 0.000 0.788 366 P CB 0.643 32.292 31.700 -0.085 0.000 1.072 367 A N -1.377 121.326 122.820 -0.195 0.000 1.978 367 A HA -0.253 4.035 4.320 -0.053 0.000 0.220 367 A C 0.666 178.161 177.584 -0.149 0.000 1.170 367 A CA 1.677 53.606 52.037 -0.179 0.000 0.636 367 A CB -0.235 18.482 19.000 -0.472 0.000 0.810 367 A HN 0.027 7.890 8.150 -0.272 0.123 0.448 368 G N -4.907 103.785 108.800 -0.179 0.000 2.162 368 G HA2 -0.353 3.788 3.960 -0.065 0.000 0.260 368 G HA3 -0.353 3.583 3.960 -0.040 0.000 0.260 368 G C -1.432 173.378 174.900 -0.149 0.000 0.976 368 G CA 0.769 45.810 45.100 -0.099 0.000 0.655 368 G HN 0.388 8.534 8.290 -0.230 0.006 0.533 369 L N -7.484 113.599 121.223 -0.233 0.000 2.403 369 L HA 0.324 4.506 4.340 -0.262 0.000 0.253 369 L C -1.979 174.661 176.870 -0.384 0.000 1.045 369 L CA -2.910 51.775 54.840 -0.259 0.000 0.845 369 L CB 1.556 43.518 42.059 -0.163 0.000 1.447 369 L HN -1.019 6.960 8.230 -0.275 0.086 0.411 370 E N -0.413 119.534 120.200 -0.422 0.000 2.324 370 E HA -0.007 3.948 4.350 -0.658 0.000 0.271 370 E C -0.032 176.214 176.600 -0.590 0.000 1.028 370 E CA 0.544 56.549 56.400 -0.658 0.000 0.890 370 E CB 0.350 29.494 29.700 -0.925 0.000 1.004 370 E HN 0.230 8.378 8.360 -0.353 0.000 0.431 371 T N 0.311 114.514 114.554 -0.584 0.000 3.004 371 T HA 0.309 4.687 4.350 0.047 0.000 0.266 371 T C 0.614 175.382 174.700 0.114 0.000 0.986 371 T CA -1.054 60.904 62.100 -0.236 0.000 0.902 371 T CB 1.406 69.874 68.868 -0.666 0.000 1.118 371 T HN 0.154 8.004 8.240 -0.649 0.000 0.522 372 W N -3.471 117.723 121.300 -0.177 0.000 2.902 372 W HA -0.379 4.272 4.660 -0.143 -0.077 0.278 372 W C -1.601 174.830 176.519 -0.147 0.000 1.066 372 W CA 0.849 58.108 57.345 -0.143 0.000 0.570 372 W CB -2.214 27.177 29.460 -0.116 0.000 2.092 372 W HN -0.148 7.934 8.180 -0.648 -0.291 1.423 373 V N -0.437 119.443 119.914 -0.056 0.000 2.546 373 V HA 0.326 4.591 4.120 -0.016 -0.154 0.284 373 V C 0.367 176.380 176.094 -0.135 0.000 1.050 373 V CA -0.556 61.697 62.300 -0.078 0.000 0.981 373 V CB 0.444 32.198 31.823 -0.116 0.000 0.990 373 V HN -0.707 7.322 8.190 -0.160 0.065 0.474 374 S N 6.756 122.384 115.700 -0.120 0.000 2.462 374 S HA 0.250 4.586 4.470 -0.223 0.000 0.294 374 S C -2.190 172.149 174.600 -0.436 0.000 1.144 374 S CA -0.317 57.737 58.200 -0.243 0.000 1.088 374 S CB 1.392 64.502 63.200 -0.149 0.000 1.009 374 S HN 0.283 8.551 8.310 -0.069 0.000 0.484 375 L N 5.733 126.627 121.223 -0.548 0.000 2.334 375 L HA 0.593 4.868 4.340 -0.330 -0.133 0.276 375 L C -2.255 174.214 176.870 -0.668 0.000 1.014 375 L CA -1.242 53.327 54.840 -0.452 0.000 0.815 375 L CB 3.736 45.663 42.059 -0.220 0.000 1.268 375 L HN 0.352 8.306 8.230 -0.459 0.000 0.428 376 Y N 1.520 121.799 120.300 -0.035 0.000 2.457 376 Y HA 0.659 5.664 4.550 0.113 -0.387 0.343 376 Y C -1.593 174.339 175.900 0.052 0.000 0.994 376 Y CA -1.914 56.197 58.100 0.018 0.000 1.031 376 Y CB 3.995 42.369 38.460 -0.143 0.000 1.246 376 Y HN 0.651 8.896 8.280 -0.059 0.000 0.449 377 L N 3.328 124.717 121.223 0.277 0.000 2.277 377 L HA 0.603 5.205 4.340 0.208 -0.137 0.284 377 L C -2.059 174.995 176.870 0.307 0.000 1.028 377 L CA -1.747 53.235 54.840 0.236 0.000 0.835 377 L CB 2.360 44.526 42.059 0.178 0.000 1.215 377 L HN 0.185 8.597 8.230 0.304 0.000 0.425 378 A N 6.437 129.450 122.820 0.322 0.000 2.331 378 A HA 0.449 5.139 4.320 0.402 -0.128 0.283 378 A C -1.532 176.212 177.584 0.266 0.000 1.142 378 A CA -1.736 50.515 52.037 0.356 0.000 0.812 378 A CB 1.853 21.101 19.000 0.413 0.000 1.074 378 A HN 0.949 9.277 8.150 0.296 0.000 0.497 379 I N 3.670 124.419 120.570 0.298 0.000 2.339 379 I HA 0.391 4.686 4.170 0.207 0.000 0.290 379 I C -0.481 175.886 176.117 0.416 0.000 0.994 379 I CA -0.798 60.669 61.300 0.278 0.000 1.191 379 I CB 1.504 39.629 38.000 0.209 0.000 1.343 379 I HN 0.673 9.093 8.210 0.349 0.000 0.458 380 T N 2.771 117.536 114.554 0.353 0.000 2.888 380 T HA 0.650 5.331 4.350 0.280 -0.164 0.288 380 T C -0.745 174.126 174.700 0.285 0.000 1.063 380 T CA -2.586 59.682 62.100 0.280 0.000 1.010 380 T CB 2.944 71.888 68.868 0.127 0.000 1.214 380 T HN -0.104 8.294 8.240 0.263 0.000 0.533 381 K N 1.683 122.102 120.400 0.032 0.000 2.354 381 K HA 0.184 4.647 4.320 0.238 0.000 0.257 381 K C -1.549 175.073 176.600 0.036 0.000 1.062 381 K CA -0.851 55.463 56.287 0.045 0.000 0.971 381 K CB 0.556 32.913 32.500 -0.239 0.000 1.305 381 K HN 0.229 8.414 8.250 -0.108 0.000 0.449 382 N N 6.562 125.321 118.700 0.098 0.000 2.448 382 N HA 0.381 5.151 4.740 0.050 0.000 0.279 382 N C -1.193 174.380 175.510 0.105 0.000 1.025 382 N CA -3.004 50.096 53.050 0.084 0.000 0.898 382 N CB 1.808 40.361 38.487 0.110 0.000 1.303 382 N HN 0.147 8.610 8.380 0.138 0.000 0.495 383 P HA 0.089 4.562 4.420 0.088 0.000 0.233 383 P C -0.136 177.217 177.300 0.089 0.000 1.167 383 P CA 0.335 63.481 63.100 0.077 0.000 0.770 383 P CB 0.304 32.032 31.700 0.047 0.000 0.837 384 Q N 1.111 120.971 119.800 0.100 0.000 2.361 384 Q HA -0.109 4.255 4.340 0.039 0.000 0.276 384 Q C -0.530 175.628 176.000 0.264 0.000 1.022 384 Q CA 1.047 56.907 55.803 0.095 0.000 0.898 384 Q CB 0.669 29.390 28.738 -0.029 0.000 1.246 384 Q HN -0.419 8.153 8.270 0.095 -0.245 0.410 385 R N 0.574 121.217 120.500 0.239 0.000 2.795 385 R HA 0.619 5.410 4.340 0.502 -0.150 0.275 385 R C -0.208 176.330 176.300 0.396 0.000 0.981 385 R CA -2.027 54.291 56.100 0.364 0.000 0.917 385 R CB 3.119 33.544 30.300 0.207 0.000 1.202 385 R HN 0.012 8.358 8.270 0.127 0.000 0.469 386 G N -0.459 108.688 108.800 0.578 0.000 2.552 386 G HA2 0.626 4.801 3.960 0.269 0.000 0.324 386 G HA3 0.626 4.931 3.960 0.511 -0.038 0.324 386 G C -2.155 172.850 174.900 0.176 0.000 1.217 386 G CA -1.251 44.087 45.100 0.395 0.000 0.989 386 G HN 0.600 9.289 8.290 0.665 0.000 0.490 387 T N 2.380 116.931 114.554 -0.005 0.000 2.886 387 T HA 0.686 5.260 4.350 0.083 -0.174 0.292 387 T C -1.192 173.396 174.700 -0.187 0.000 1.012 387 T CA -0.892 61.202 62.100 -0.011 0.000 0.982 387 T CB 3.193 72.089 68.868 0.046 0.000 1.018 387 T HN 0.142 8.689 8.240 -0.039 -0.330 0.451 388 F N 6.163 126.085 119.950 -0.047 0.000 2.424 388 F HA 0.229 4.856 4.527 -0.155 -0.193 0.356 388 F C -0.462 175.335 175.800 -0.005 0.000 1.110 388 F CA 0.198 58.145 58.000 -0.089 0.000 1.161 388 F CB 0.713 39.653 39.000 -0.100 0.000 1.115 388 F HN 0.548 9.008 8.300 0.266 0.000 0.507 389 V N 3.818 123.825 119.914 0.155 0.000 2.378 389 V HA 0.179 4.388 4.120 0.150 0.000 0.288 389 V C -1.507 174.691 176.094 0.173 0.000 1.016 389 V CA -1.449 60.932 62.300 0.134 0.000 0.840 389 V CB 2.472 34.333 31.823 0.065 0.000 0.994 389 V HN 0.532 8.778 8.190 0.094 0.000 0.431 390 Y N 9.999 130.337 120.300 0.064 0.000 2.526 390 Y HA -0.228 4.360 4.550 0.063 0.000 0.330 390 Y C -1.075 174.852 175.900 0.045 0.000 1.156 390 Y CA 0.582 58.714 58.100 0.054 0.000 1.419 390 Y CB 0.696 39.180 38.460 0.039 0.000 1.250 390 Y HN 0.601 9.048 8.280 0.278 0.000 0.540 391 D N 7.714 127.805 120.400 -0.515 0.000 2.443 391 D HA 0.137 4.591 4.640 -0.310 0.000 0.221 391 D C -0.629 175.155 176.300 -0.860 0.000 1.097 391 D CA -2.117 51.591 54.000 -0.486 0.000 0.865 391 D CB 0.957 41.612 40.800 -0.240 0.000 1.034 391 D HN 0.096 8.188 8.370 -0.463 0.000 0.511 392 A N 6.968 129.383 122.820 -0.675 0.000 2.019 392 A HA -0.236 3.724 4.320 -0.600 0.000 0.219 392 A C 0.761 178.231 177.584 -0.191 0.000 1.164 392 A CA 2.507 54.304 52.037 -0.399 0.000 0.644 392 A CB -0.373 18.626 19.000 -0.001 0.000 0.805 392 A HN 0.585 8.482 8.150 -0.422 0.000 0.449 393 A N -0.566 122.157 122.820 -0.161 0.000 1.877 393 A HA -0.219 4.068 4.320 -0.055 0.000 0.216 393 A C 1.321 178.857 177.584 -0.081 0.000 1.186 393 A CA 2.301 54.287 52.037 -0.086 0.000 0.620 393 A CB 0.020 18.980 19.000 -0.065 0.000 0.822 393 A HN -0.113 8.098 8.150 -0.182 -0.170 0.443 394 T N -5.950 108.537 114.554 -0.112 0.000 3.086 394 T HA -0.079 4.244 4.350 -0.046 0.000 0.250 394 T C 0.557 175.218 174.700 -0.066 0.000 1.074 394 T CA -0.895 61.161 62.100 -0.072 0.000 0.988 394 T CB 1.022 69.857 68.868 -0.054 0.000 0.988 394 T HN -0.757 7.593 8.240 -0.151 -0.200 0.530 395 D N 0.778 121.097 120.400 -0.134 0.000 2.723 395 D HA -0.433 4.205 4.640 -0.064 -0.037 0.236 395 D C -1.955 174.378 176.300 0.055 0.000 1.138 395 D CA 1.512 55.502 54.000 -0.017 0.000 0.676 395 D CB -0.588 40.272 40.800 0.099 0.000 1.069 395 D HN -0.288 7.784 8.370 -0.221 0.165 0.430 396 R N -3.666 116.797 120.500 -0.062 0.000 2.686 396 R HA 0.772 5.337 4.340 0.139 -0.141 0.283 396 R C -1.631 174.732 176.300 0.105 0.000 0.978 396 R CA -3.320 52.821 56.100 0.068 0.000 0.897 396 R CB 3.176 33.507 30.300 0.052 0.000 1.192 396 R HN -0.785 7.343 8.270 -0.237 0.000 0.457 397 A N 5.029 127.995 122.820 0.242 0.000 2.343 397 A HA 0.620 5.462 4.320 0.282 -0.353 0.305 397 A C -1.331 176.437 177.584 0.307 0.000 1.308 397 A CA -1.050 51.156 52.037 0.281 0.000 0.949 397 A CB 0.459 19.601 19.000 0.237 0.000 1.148 397 A HN 1.083 10.029 8.150 0.235 -0.655 0.545 398 K N 4.283 124.806 120.400 0.206 0.000 2.205 398 K HA 0.217 4.707 4.320 0.285 0.000 0.279 398 K C -1.408 175.129 176.600 -0.104 0.000 1.027 398 K CA -1.010 55.361 56.287 0.141 0.000 0.932 398 K CB 2.201 34.751 32.500 0.084 0.000 1.032 398 K HN 0.555 8.807 8.250 0.184 0.108 0.466 399 L N 4.340 125.255 121.223 -0.513 0.000 2.278 399 L HA 0.076 3.892 4.340 -1.095 -0.133 0.287 399 L C -1.081 175.531 176.870 -0.430 0.000 1.072 399 L CA -0.518 53.739 54.840 -0.971 0.000 0.819 399 L CB 0.966 41.939 42.059 -1.811 0.000 1.176 399 L HN 0.325 8.258 8.230 -0.495 0.000 0.435 400 N N 5.621 124.148 118.700 -0.289 0.000 2.868 400 N HA 0.101 4.797 4.740 -0.073 0.000 0.252 400 N C -1.893 173.605 175.510 -0.020 0.000 1.130 400 N CA -0.336 52.650 53.050 -0.108 0.000 1.026 400 N CB -0.122 38.322 38.487 -0.072 0.000 1.335 400 N HN 0.079 8.252 8.380 -0.346 0.000 0.516 401 W N 4.477 125.659 121.300 -0.197 0.000 2.785 401 W HA 0.690 5.525 4.660 -0.052 -0.206 0.333 401 W C -2.161 174.330 176.519 -0.047 0.000 1.062 401 W CA -1.598 55.689 57.345 -0.096 0.000 1.233 401 W CB 4.070 33.469 29.460 -0.101 0.000 1.413 401 W HN -0.417 7.707 8.180 0.052 0.088 0.489 402 T N 0.637 114.879 114.554 -0.520 0.000 2.918 402 T HA 0.436 4.823 4.350 -0.105 -0.100 0.286 402 T C 0.530 174.984 174.700 -0.410 0.000 1.026 402 T CA -2.166 59.742 62.100 -0.320 0.000 1.031 402 T CB 3.440 72.159 68.868 -0.249 0.000 1.046 402 T HN 0.113 8.174 8.240 -0.816 -0.310 0.479 403 R N 2.385 122.842 120.500 -0.071 0.000 2.120 403 R HA -0.330 4.123 4.340 0.188 0.000 0.234 403 R C 1.817 178.090 176.300 -0.045 0.000 1.123 403 R CA 3.837 59.963 56.100 0.044 0.000 0.975 403 R CB 0.069 30.423 30.300 0.091 0.000 0.866 403 R HN 0.528 9.154 8.270 -0.015 -0.365 0.446 404 D N -2.196 118.134 120.400 -0.117 0.000 2.263 404 D HA -0.219 4.380 4.640 -0.068 0.000 0.208 404 D C 1.884 178.070 176.300 -0.192 0.000 0.971 404 D CA 2.577 56.506 54.000 -0.118 0.000 0.867 404 D CB -1.569 39.167 40.800 -0.108 0.000 0.929 404 D HN 0.320 8.578 8.370 -0.122 0.039 0.492 405 Q N -1.617 117.947 119.800 -0.394 0.000 2.364 405 Q HA -0.202 3.911 4.340 -0.377 0.000 0.207 405 Q C 1.008 176.872 176.000 -0.226 0.000 0.970 405 Q CA 2.224 57.702 55.803 -0.541 0.000 0.888 405 Q CB -0.116 27.828 28.738 -1.323 0.000 0.951 405 Q HN -0.100 7.619 8.270 -0.483 0.261 0.469 406 N N -2.030 116.682 118.700 0.020 0.000 2.398 406 N HA -0.052 4.855 4.740 0.277 0.000 0.188 406 N C 0.334 175.882 175.510 0.064 0.000 1.122 406 N CA 0.221 53.390 53.050 0.198 0.000 0.866 406 N CB 0.320 38.991 38.487 0.306 0.000 0.970 406 N HN -0.469 7.742 8.380 -0.023 0.155 0.462 407 A N 1.354 124.171 122.820 -0.004 0.000 1.908 407 A HA -0.084 4.217 4.320 -0.031 0.000 0.218 407 A C -1.395 176.168 177.584 -0.034 0.000 1.181 407 A CA 4.872 56.891 52.037 -0.029 0.000 0.627 407 A CB -2.380 16.593 19.000 -0.045 0.000 0.818 407 A HN -0.215 7.743 8.150 -0.033 0.172 0.445 408 P HA -0.172 4.224 4.420 -0.040 0.000 0.217 408 P C 1.096 178.385 177.300 -0.018 0.000 1.150 408 P CA 2.871 65.957 63.100 -0.023 0.000 0.832 408 P CB -0.596 31.099 31.700 -0.009 0.000 0.787 409 A N -1.941 120.890 122.820 0.018 0.000 1.873 409 A HA -0.223 4.115 4.320 0.031 0.000 0.215 409 A C 2.121 179.698 177.584 -0.012 0.000 1.186 409 A CA 2.982 55.038 52.037 0.031 0.000 0.616 409 A CB -0.800 18.245 19.000 0.076 0.000 0.823 409 A HN -0.776 7.400 8.150 0.042 0.000 0.442 410 V N -0.765 119.116 119.914 -0.055 0.000 2.287 410 V HA -0.579 3.413 4.120 -0.214 0.000 0.248 410 V C 2.212 178.123 176.094 -0.305 0.000 1.053 410 V CA 4.249 66.422 62.300 -0.212 0.000 1.027 410 V CB -1.032 30.664 31.823 -0.211 0.000 0.646 410 V HN 0.007 8.184 8.190 -0.022 0.000 0.447 411 N N -0.163 118.428 118.700 -0.182 0.000 2.120 411 N HA -0.315 4.304 4.740 -0.202 0.000 0.188 411 N C 2.235 177.671 175.510 -0.123 0.000 1.024 411 N CA 3.194 56.149 53.050 -0.159 0.000 0.852 411 N CB -0.757 37.671 38.487 -0.099 0.000 1.003 411 N HN -0.013 8.289 8.380 -0.129 0.000 0.424 412 A N -0.290 122.479 122.820 -0.085 0.000 1.873 412 A HA -0.174 4.102 4.320 -0.073 0.000 0.215 412 A C 1.840 179.415 177.584 -0.014 0.000 1.186 412 A CA 2.991 54.991 52.037 -0.061 0.000 0.616 412 A CB -0.764 18.198 19.000 -0.063 0.000 0.823 412 A HN -0.320 7.784 8.150 -0.077 0.000 0.442 413 A N -1.153 121.689 122.820 0.038 0.000 1.883 413 A HA -0.448 4.034 4.320 0.270 0.000 0.217 413 A C 1.475 179.244 177.584 0.308 0.000 1.186 413 A CA 3.299 55.478 52.037 0.236 0.000 0.624 413 A CB -0.795 18.410 19.000 0.342 0.000 0.822 413 A HN -0.179 7.974 8.150 0.005 0.000 0.444 414 K N -0.525 119.851 120.400 -0.039 0.000 2.057 414 K HA -0.273 4.305 4.320 0.430 0.000 0.207 414 K C 2.046 178.748 176.600 0.170 0.000 1.049 414 K CA 3.052 59.362 56.287 0.039 0.000 0.931 414 K CB 0.069 32.318 32.500 -0.418 0.000 0.714 414 K HN 0.088 8.181 8.250 -0.262 0.000 0.440 415 A N -0.589 122.254 122.820 0.038 0.000 1.933 415 A HA -0.249 4.097 4.320 0.043 0.000 0.218 415 A C 1.994 179.577 177.584 -0.000 0.000 1.175 415 A CA 3.010 55.059 52.037 0.019 0.000 0.628 415 A CB -0.716 18.265 19.000 -0.031 0.000 0.814 415 A HN -0.289 7.851 8.150 -0.017 0.000 0.444 416 L N -1.717 119.474 121.223 -0.053 0.000 2.005 416 L HA -0.274 3.942 4.340 -0.206 0.000 0.207 416 L C 2.042 178.737 176.870 -0.291 0.000 1.072 416 L CA 3.240 57.938 54.840 -0.236 0.000 0.744 416 L CB -0.608 41.223 42.059 -0.380 0.000 0.895 416 L HN -0.666 7.541 8.230 -0.022 0.010 0.433 417 F N -2.312 117.695 119.950 0.094 0.000 2.325 417 F HA -0.351 4.149 4.527 -0.045 0.000 0.299 417 F C 2.180 178.019 175.800 0.066 0.000 1.090 417 F CA 3.865 61.915 58.000 0.083 0.000 1.392 417 F CB -0.670 38.476 39.000 0.243 0.000 1.053 417 F HN -0.182 8.192 8.300 0.123 0.000 0.521 418 D N -0.668 119.896 120.400 0.273 0.000 2.144 418 D HA -0.312 4.404 4.640 0.126 0.000 0.199 418 D C 2.366 178.692 176.300 0.043 0.000 0.984 418 D CA 3.842 57.935 54.000 0.155 0.000 0.834 418 D CB -0.709 40.201 40.800 0.183 0.000 0.955 418 D HN 0.331 8.879 8.370 0.323 0.016 0.465 419 R N -0.694 119.807 120.500 0.003 0.000 2.081 419 R HA -0.270 4.061 4.340 -0.015 0.000 0.235 419 R C 2.557 178.834 176.300 -0.037 0.000 1.131 419 R CA 3.137 59.218 56.100 -0.032 0.000 0.960 419 R CB -0.173 30.085 30.300 -0.070 0.000 0.856 419 R HN -0.803 7.467 8.270 -0.001 0.000 0.436 420 I N -0.630 119.907 120.570 -0.055 0.000 2.252 420 I HA -0.462 3.686 4.170 -0.036 0.000 0.245 420 I C 1.582 177.684 176.117 -0.025 0.000 1.102 420 I CA 3.841 65.118 61.300 -0.038 0.000 1.385 420 I CB -0.319 37.659 38.000 -0.036 0.000 1.064 420 I HN -0.681 7.406 8.210 -0.075 0.078 0.414 421 N N -0.160 118.509 118.700 -0.052 0.000 2.166 421 N HA -0.216 4.464 4.740 -0.101 0.000 0.186 421 N C 2.481 177.975 175.510 -0.027 0.000 1.019 421 N CA 2.564 55.559 53.050 -0.091 0.000 0.856 421 N CB -0.338 38.028 38.487 -0.202 0.000 0.993 421 N HN -0.054 8.297 8.380 -0.047 0.000 0.426 422 K N 0.659 121.055 120.400 -0.006 0.000 2.057 422 K HA -0.271 4.063 4.320 0.024 0.000 0.206 422 K C 2.074 178.691 176.600 0.028 0.000 1.050 422 K CA 2.832 59.129 56.287 0.017 0.000 0.935 422 K CB -0.029 32.481 32.500 0.018 0.000 0.715 422 K HN -0.130 8.115 8.250 -0.010 0.000 0.439 423 A N -2.173 120.660 122.820 0.021 0.000 2.015 423 A HA -0.132 4.208 4.320 0.033 0.000 0.219 423 A C 1.105 178.729 177.584 0.067 0.000 1.163 423 A CA 2.368 54.426 52.037 0.034 0.000 0.646 423 A CB 0.042 19.053 19.000 0.020 0.000 0.806 423 A HN -0.387 7.768 8.150 0.009 0.000 0.448 424 N N -4.846 113.899 118.700 0.075 0.000 2.205 424 N HA 0.035 4.890 4.740 0.192 0.000 0.201 424 N C -0.061 175.579 175.510 0.217 0.000 1.128 424 N CA 0.162 53.302 53.050 0.149 0.000 0.867 424 N CB 2.080 40.617 38.487 0.083 0.000 0.996 424 N HN -0.648 7.723 8.380 0.045 0.035 0.503 425 G N 0.583 109.463 108.800 0.133 0.000 2.273 425 G HA2 -0.448 3.574 3.960 0.103 0.000 0.280 425 G HA3 -0.448 3.640 3.960 0.214 0.000 0.280 425 G C -1.278 173.700 174.900 0.131 0.000 1.047 425 G CA 1.032 46.225 45.100 0.156 0.000 0.869 425 G HN -0.096 8.247 8.290 0.088 0.000 0.502 426 T N -3.128 111.411 114.554 -0.025 0.000 2.949 426 T HA 0.277 4.551 4.350 -0.127 0.000 0.287 426 T C -1.349 173.284 174.700 -0.112 0.000 1.034 426 T CA -1.975 60.041 62.100 -0.140 0.000 1.018 426 T CB 2.906 71.606 68.868 -0.280 0.000 1.135 426 T HN -0.766 7.457 8.240 -0.029 0.000 0.532 427 I N -5.508 114.998 120.570 -0.106 0.000 2.957 427 I HA 0.494 4.590 4.170 -0.124 0.000 0.310 427 I C -1.659 174.373 176.117 -0.141 0.000 1.063 427 I CA -2.676 58.580 61.300 -0.073 0.000 1.033 427 I CB 3.298 41.352 38.000 0.091 0.000 1.230 427 I HN 0.140 8.286 8.210 -0.106 0.000 0.447 428 Y N -0.373 119.912 120.300 -0.025 0.000 2.426 428 Y HA -0.074 4.487 4.550 -0.202 -0.133 0.344 428 Y C 0.884 176.636 175.900 -0.246 0.000 1.256 428 Y CA 1.513 59.461 58.100 -0.254 0.000 1.451 428 Y CB 0.620 38.709 38.460 -0.618 0.000 1.342 428 Y HN 0.102 8.355 8.280 -0.044 0.000 0.600 429 R N -0.549 119.897 120.500 -0.089 0.000 2.539 429 R HA 0.064 4.423 4.340 0.032 0.000 0.275 429 R C -0.235 175.864 176.300 -0.335 0.000 1.077 429 R CA -0.797 55.243 56.100 -0.099 0.000 1.097 429 R CB 0.596 30.850 30.300 -0.077 0.000 1.018 429 R HN -0.079 8.157 8.270 -0.057 0.000 0.483 430 Y N -1.342 118.954 120.300 -0.007 0.000 2.527 430 Y HA 0.052 4.598 4.550 -0.007 0.000 0.247 430 Y C -0.506 175.370 175.900 -0.039 0.000 1.138 430 Y CA 1.007 59.103 58.100 -0.007 0.000 1.228 430 Y CB 1.512 39.990 38.460 0.030 0.000 1.252 430 Y HN 0.338 8.718 8.280 0.168 0.000 0.531 431 D N -1.421 118.986 120.400 0.011 0.000 2.469 431 D HA 0.189 4.830 4.640 0.002 0.000 0.215 431 D C 0.587 176.786 176.300 -0.168 0.000 1.154 431 D CA -0.396 53.580 54.000 -0.039 0.000 0.832 431 D CB -1.043 39.743 40.800 -0.023 0.000 1.008 431 D HN -0.070 8.287 8.370 -0.023 0.000 0.506 432 L N -1.716 119.286 121.223 -0.369 0.000 2.418 432 L HA -0.001 4.129 4.340 -0.349 0.000 0.218 432 L C -0.700 175.838 176.870 -0.554 0.000 1.125 432 L CA 1.637 56.137 54.840 -0.566 0.000 0.835 432 L CB 0.151 41.651 42.059 -0.931 0.000 0.953 432 L HN -0.311 7.675 8.230 -0.407 0.000 0.454 433 F N -4.794 115.131 119.950 -0.041 0.000 2.818 433 F HA 0.013 4.498 4.527 -0.070 0.000 0.369 433 F C -0.667 175.080 175.800 -0.087 0.000 1.327 433 F CA -0.874 57.086 58.000 -0.066 0.000 1.211 433 F CB -0.125 38.846 39.000 -0.048 0.000 1.036 433 F HN -0.247 7.863 8.300 -0.230 0.053 0.510 434 G N -0.471 108.313 108.800 -0.026 0.000 2.408 434 G HA2 -0.207 3.633 3.960 -0.200 0.000 0.682 434 G HA3 -0.207 3.727 3.960 -0.044 0.000 0.682 434 G C -0.995 173.886 174.900 -0.032 0.000 1.303 434 G CA -0.741 44.309 45.100 -0.083 0.000 0.966 434 G HN -0.836 7.421 8.290 -0.056 0.000 0.560 435 T N -4.828 109.706 114.554 -0.033 0.000 2.942 435 T HA -0.244 4.102 4.350 -0.006 0.000 0.265 435 T C 0.354 175.066 174.700 0.020 0.000 1.062 435 T CA 0.821 62.918 62.100 -0.006 0.000 1.139 435 T CB 0.035 68.899 68.868 -0.006 0.000 0.883 435 T HN 0.160 8.371 8.240 -0.048 0.000 0.468 436 Q N 0.950 120.768 119.800 0.030 0.000 2.337 436 Q HA -0.043 4.321 4.340 0.038 0.000 0.270 436 Q C -0.613 175.436 176.000 0.082 0.000 1.002 436 Q CA -0.311 55.521 55.803 0.049 0.000 0.888 436 Q CB 0.024 28.793 28.738 0.051 0.000 1.222 436 Q HN -0.235 8.048 8.270 0.023 0.000 0.400 437 L N 1.997 123.274 121.223 0.090 0.000 2.780 437 L HA -0.264 4.340 4.340 0.188 -0.151 0.275 437 L C 0.574 177.579 176.870 0.225 0.000 1.153 437 L CA 0.724 55.655 54.840 0.151 0.000 0.993 437 L CB -0.710 41.385 42.059 0.061 0.000 1.319 437 L HN 0.167 8.434 8.230 0.061 0.000 0.479 438 K N 6.228 126.794 120.400 0.276 0.000 2.695 438 K HA 0.195 4.673 4.320 0.263 0.000 0.255 438 K C -1.394 175.325 176.600 0.198 0.000 1.016 438 K CA -0.688 55.750 56.287 0.253 0.000 0.928 438 K CB 2.713 35.343 32.500 0.217 0.000 1.235 438 K HN 0.029 8.445 8.250 0.277 0.000 0.467 439 A N 3.476 126.313 122.820 0.028 0.000 2.123 439 A HA 0.105 4.322 4.320 -0.421 -0.149 0.214 439 A C -1.150 176.098 177.584 -0.559 0.000 1.152 439 A CA 0.894 52.653 52.037 -0.465 0.000 0.728 439 A CB 0.758 19.122 19.000 -1.060 0.000 0.814 439 A HN 0.347 8.589 8.150 0.154 0.000 0.464 440 F N -2.633 117.308 119.950 -0.015 0.000 2.460 440 F HA 0.575 5.258 4.527 -0.057 -0.190 0.341 440 F C -0.903 174.807 175.800 -0.150 0.000 1.130 440 F CA -2.137 55.823 58.000 -0.067 0.000 0.962 440 F CB 2.647 41.602 39.000 -0.074 0.000 1.171 440 F HN -0.574 7.782 8.300 0.160 0.040 0.436 441 A N 4.301 126.903 122.820 -0.363 0.000 2.396 441 A HA 0.057 4.166 4.320 -0.351 0.000 0.279 441 A C -1.079 176.530 177.584 0.042 0.000 1.165 441 A CA -0.089 51.675 52.037 -0.455 0.000 0.824 441 A CB 0.613 18.902 19.000 -1.186 0.000 1.100 441 A HN 0.474 8.321 8.150 -0.505 0.000 0.516 442 D N 0.355 120.815 120.400 0.101 0.000 2.563 442 D HA 0.113 4.826 4.640 0.121 0.000 0.237 442 D C -1.175 175.221 176.300 0.159 0.000 1.282 442 D CA -1.169 52.913 54.000 0.135 0.000 0.816 442 D CB 1.409 42.287 40.800 0.130 0.000 1.066 442 D HN 0.255 8.665 8.370 0.067 0.000 0.501 443 D N -4.508 116.003 120.400 0.185 0.000 2.692 443 D HA 0.093 4.853 4.640 0.200 0.000 0.290 443 D C -1.824 174.618 176.300 0.237 0.000 1.455 443 D CA -0.683 53.436 54.000 0.199 0.000 0.796 443 D CB -0.826 40.090 40.800 0.193 0.000 1.131 443 D HN -0.398 8.110 8.370 0.230 0.000 0.467 444 F N 0.030 120.013 119.950 0.054 0.000 2.631 444 F HA 0.846 5.721 4.527 0.224 -0.213 0.328 444 F C -1.548 174.282 175.800 0.050 0.000 1.067 444 F CA -2.137 55.931 58.000 0.114 0.000 0.969 444 F CB 1.280 40.307 39.000 0.045 0.000 1.332 444 F HN -0.685 7.689 8.300 0.125 0.000 0.490 445 C N 0.497 119.702 119.300 -0.158 0.000 3.241 445 C HA 0.318 4.075 4.460 -1.171 0.000 0.348 445 C C -1.855 173.299 174.990 0.274 0.000 1.180 445 C CA -0.408 58.353 59.018 -0.428 0.000 1.273 445 C CB 1.557 29.115 27.740 -0.304 0.000 1.620 445 C HN 0.001 nan 8.230 nan 0.000 0.510 446 Y N -0.760 119.533 120.300 -0.012 0.000 2.481 446 Y HA 0.216 4.919 4.550 0.255 0.000 0.258 446 Y C -0.104 175.928 175.900 0.221 0.000 1.103 446 Y CA -2.185 55.985 58.100 0.117 0.000 1.287 446 Y CB 1.255 39.737 38.460 0.038 0.000 1.108 446 Y HN 0.086 8.512 8.280 -0.199 -0.265 0.529 447 H N -1.260 117.927 119.070 0.195 0.000 2.317 447 H HA 0.362 4.990 4.556 0.120 0.000 0.231 447 H C -2.752 172.577 175.328 0.001 0.000 1.442 447 H CA -3.771 52.328 56.048 0.085 0.000 1.336 447 H CB 0.506 30.275 29.762 0.012 0.000 1.533 447 H HN -0.792 7.694 8.280 0.037 -0.184 0.522 448 P HA 0.029 4.434 4.420 -0.024 0.000 0.271 448 P C -2.100 175.226 177.300 0.043 0.000 1.220 448 P CA 0.052 63.271 63.100 0.198 0.000 0.768 448 P CB 0.819 32.866 31.700 0.577 0.000 0.848 449 L N 1.987 123.029 121.223 -0.302 0.000 2.438 449 L HA 0.389 4.862 4.340 -0.029 -0.151 0.270 449 L C -0.672 176.076 176.870 -0.202 0.000 0.972 449 L CA -0.884 53.849 54.840 -0.179 0.000 0.831 449 L CB 3.145 45.095 42.059 -0.182 0.000 1.273 449 L HN 0.029 7.802 8.230 -0.762 0.000 0.405 450 G N 1.872 110.703 108.800 0.053 0.000 2.483 450 G HA2 -0.300 3.923 3.960 0.097 0.000 0.521 450 G HA3 -0.300 3.901 3.960 0.104 -0.179 0.521 450 G C -0.893 174.225 174.900 0.363 0.000 1.278 450 G CA -0.207 44.980 45.100 0.145 0.000 0.965 450 G HN 0.485 8.823 8.290 0.080 0.000 0.504 451 G N -3.637 105.366 108.800 0.338 0.000 2.284 451 G HA2 -0.394 3.896 3.960 0.411 0.000 0.216 451 G HA3 -0.394 3.750 3.960 0.305 0.000 0.216 451 G C -1.470 173.515 174.900 0.141 0.000 1.009 451 G CA 0.691 45.982 45.100 0.318 0.000 0.625 451 G HN -0.214 8.240 8.290 0.274 0.000 0.501 452 C N 0.925 120.283 119.300 0.097 0.000 3.370 452 C HA 0.326 4.818 4.460 0.052 0.000 0.190 452 C C -1.154 173.862 174.990 0.043 0.000 1.647 452 C CA -0.658 58.391 59.018 0.051 0.000 1.277 452 C CB -0.358 27.394 27.740 0.019 0.000 2.037 452 C HN -0.189 8.035 8.230 0.110 0.071 0.537 453 V N 2.252 122.195 119.914 0.048 0.000 2.655 453 V HA -0.140 4.046 4.120 0.020 -0.054 0.300 453 V C -0.033 176.064 176.094 0.004 0.000 1.044 453 V CA 0.272 62.586 62.300 0.024 0.000 1.095 453 V CB 0.413 32.250 31.823 0.025 0.000 0.952 453 V HN 0.102 8.329 8.190 0.062 0.000 0.485 454 L N 7.364 128.576 121.223 -0.018 0.000 2.628 454 L HA -0.293 4.035 4.340 -0.020 0.000 0.274 454 L C 0.520 177.365 176.870 -0.041 0.000 1.209 454 L CA 1.498 56.317 54.840 -0.035 0.000 0.930 454 L CB -0.288 41.730 42.059 -0.068 0.000 1.183 454 L HN -0.001 8.109 8.230 -0.022 0.106 0.492 455 G N 4.250 113.035 108.800 -0.025 0.000 2.199 455 G HA2 -0.308 3.689 3.960 -0.011 0.000 0.254 455 G HA3 -0.308 3.632 3.960 -0.034 0.000 0.254 455 G C -0.490 174.408 174.900 -0.003 0.000 0.982 455 G CA 0.693 45.781 45.100 -0.019 0.000 0.632 455 G HN 0.030 8.312 8.290 -0.013 0.000 0.529 456 K N -0.262 120.141 120.400 0.004 0.000 2.354 456 K HA 0.210 4.538 4.320 0.013 0.000 0.210 456 K C -0.143 176.471 176.600 0.024 0.000 1.184 456 K CA 0.250 56.545 56.287 0.014 0.000 0.880 456 K CB 1.400 33.910 32.500 0.017 0.000 1.328 456 K HN -0.274 7.895 8.250 0.002 0.082 0.466 457 A N -1.939 120.898 122.820 0.029 0.000 2.067 457 A HA 0.105 4.621 4.320 0.036 -0.175 0.217 457 A C -0.599 177.004 177.584 0.032 0.000 1.156 457 A CA 1.223 53.280 52.037 0.033 0.000 0.683 457 A CB 1.471 20.492 19.000 0.035 0.000 0.808 457 A HN -0.347 7.819 8.150 0.027 0.000 0.455 458 T N -7.715 106.857 114.554 0.030 0.000 2.864 458 T HA 0.711 5.285 4.350 0.043 -0.198 0.289 458 T C -1.383 173.342 174.700 0.041 0.000 1.082 458 T CA -3.244 58.879 62.100 0.039 0.000 1.009 458 T CB 2.893 71.787 68.868 0.042 0.000 1.234 458 T HN -0.811 7.389 8.240 0.025 0.055 0.526 459 D N -1.142 119.297 120.400 0.066 0.000 2.356 459 D HA -0.112 4.562 4.640 0.056 0.000 0.258 459 D C 0.819 177.144 176.300 0.043 0.000 1.279 459 D CA -1.074 52.972 54.000 0.077 0.000 1.016 459 D CB 0.265 41.143 40.800 0.130 0.000 1.107 459 D HN 0.110 8.527 8.370 0.080 0.000 0.544 460 D N -3.418 116.991 120.400 0.015 0.000 2.352 460 D HA -0.104 4.444 4.640 -0.154 0.000 0.232 460 D C -0.534 175.479 176.300 -0.477 0.000 1.055 460 D CA 1.934 55.816 54.000 -0.197 0.000 0.891 460 D CB -0.741 39.910 40.800 -0.248 0.000 0.897 460 D HN 0.396 8.814 8.370 0.081 0.000 0.529 461 Y N -2.682 117.631 120.300 0.022 0.000 2.588 461 Y HA 0.253 5.001 4.550 -0.014 -0.207 0.247 461 Y C 0.115 176.036 175.900 0.035 0.000 1.157 461 Y CA -1.546 56.559 58.100 0.009 0.000 1.215 461 Y CB 1.160 39.623 38.460 0.005 0.000 1.245 461 Y HN -0.355 8.252 8.280 0.158 -0.232 0.534 462 G N -1.063 107.815 108.800 0.129 0.000 2.141 462 G HA2 -0.423 3.583 3.960 0.078 0.000 0.242 462 G HA3 -0.423 3.751 3.960 0.123 -0.140 0.242 462 G C -0.603 174.404 174.900 0.179 0.000 0.982 462 G CA -0.032 45.142 45.100 0.124 0.000 0.662 462 G HN -0.530 7.856 8.290 0.087 -0.043 0.527 463 R N 0.555 121.185 120.500 0.217 0.000 2.370 463 R HA 0.133 4.724 4.340 0.194 -0.135 0.309 463 R C 0.053 176.388 176.300 0.058 0.000 1.059 463 R CA -0.159 56.045 56.100 0.173 0.000 0.981 463 R CB 0.315 30.731 30.300 0.194 0.000 0.972 463 R HN -0.299 8.362 8.270 0.226 -0.256 0.437 464 V N 5.468 125.371 119.914 -0.018 0.000 2.529 464 V HA -0.241 3.891 4.120 0.021 0.000 0.292 464 V C -0.246 175.883 176.094 0.059 0.000 1.028 464 V CA 0.885 63.191 62.300 0.009 0.000 1.074 464 V CB -0.501 31.298 31.823 -0.041 0.000 0.958 464 V HN 0.188 8.318 8.190 -0.099 0.000 0.481 465 A N 7.631 130.487 122.820 0.060 0.000 2.511 465 A HA -0.164 4.175 4.320 0.031 0.000 0.242 465 A C 0.396 178.011 177.584 0.052 0.000 1.069 465 A CA 1.526 53.590 52.037 0.044 0.000 0.763 465 A CB 0.023 19.042 19.000 0.032 0.000 1.001 465 A HN 0.006 8.187 8.150 0.052 0.000 0.498 466 G N 1.980 110.748 108.800 -0.053 0.000 2.194 466 G HA2 -0.227 3.583 3.960 -0.249 0.000 0.236 466 G HA3 -0.227 3.732 3.960 -0.261 -0.156 0.236 466 G C -0.932 173.599 174.900 -0.614 0.000 0.987 466 G CA 0.244 45.184 45.100 -0.267 0.000 0.635 466 G HN 0.357 8.619 8.290 -0.047 0.000 0.520 467 Y N -0.925 119.366 120.300 -0.014 0.000 2.553 467 Y HA 0.157 4.722 4.550 0.026 0.000 0.347 467 Y C -1.165 174.720 175.900 -0.025 0.000 1.019 467 Y CA -0.975 57.127 58.100 0.004 0.000 1.032 467 Y CB 3.641 42.110 38.460 0.015 0.000 1.284 467 Y HN -0.773 7.460 8.280 0.017 0.058 0.466 468 K N 1.340 121.833 120.400 0.155 0.000 2.138 468 K HA 0.279 4.614 4.320 0.025 0.000 0.263 468 K C -0.340 176.294 176.600 0.057 0.000 0.965 468 K CA -1.138 55.191 56.287 0.071 0.000 0.868 468 K CB 2.378 34.917 32.500 0.064 0.000 1.083 468 K HN 0.513 8.895 8.250 0.219 0.000 0.443 469 N N -0.678 117.952 118.700 -0.116 0.000 2.741 469 N HA -0.432 4.161 4.740 -0.246 0.000 0.250 469 N C -2.462 172.636 175.510 -0.687 0.000 1.115 469 N CA 0.502 53.421 53.050 -0.218 0.000 0.724 469 N CB -0.474 38.131 38.487 0.197 0.000 1.090 469 N HN 0.772 9.094 8.380 -0.097 0.000 0.558 470 L N -2.123 118.474 121.223 -1.043 0.000 2.372 470 L HA 0.706 4.626 4.340 -0.959 -0.155 0.274 470 L C -2.163 174.130 176.870 -0.962 0.000 0.988 470 L CA -0.608 53.657 54.840 -0.958 0.000 0.833 470 L CB 2.774 44.429 42.059 -0.672 0.000 1.236 470 L HN -0.686 6.955 8.230 -0.916 0.039 0.410 471 Y N 3.879 123.953 120.300 -0.377 0.000 2.512 471 Y HA 0.635 5.254 4.550 -0.178 -0.175 0.348 471 Y C -1.071 174.738 175.900 -0.151 0.000 0.990 471 Y CA -2.380 55.552 58.100 -0.281 0.000 1.033 471 Y CB 4.255 42.411 38.460 -0.508 0.000 1.259 471 Y HN 0.776 8.720 8.280 -0.560 0.000 0.461 472 V N 0.379 120.348 119.914 0.092 0.000 2.555 472 V HA 0.433 4.727 4.120 0.063 -0.136 0.302 472 V C -0.267 175.889 176.094 0.103 0.000 1.038 472 V CA -1.149 61.193 62.300 0.069 0.000 0.887 472 V CB 2.750 34.586 31.823 0.023 0.000 0.991 472 V HN 0.549 8.807 8.190 0.113 0.000 0.434 473 T N -0.569 114.041 114.554 0.094 0.000 3.058 473 T HA 0.304 4.704 4.350 0.083 0.000 0.278 473 T C -0.462 174.262 174.700 0.041 0.000 0.974 473 T CA -1.321 60.829 62.100 0.083 0.000 0.893 473 T CB 1.043 69.977 68.868 0.109 0.000 1.138 473 T HN 0.311 8.598 8.240 0.078 0.000 0.529 474 D N 0.404 120.829 120.400 0.041 0.000 2.784 474 D HA 0.162 4.829 4.640 0.044 0.000 0.256 474 D C 0.885 177.211 176.300 0.044 0.000 1.129 474 D CA -1.419 52.608 54.000 0.045 0.000 1.102 474 D CB 1.191 42.021 40.800 0.051 0.000 1.330 474 D HN -0.812 7.584 8.370 0.043 0.000 0.626 475 G N -2.034 106.802 108.800 0.061 0.000 2.498 475 G HA2 -0.288 3.695 3.960 0.039 0.000 0.219 475 G HA3 -0.288 3.717 3.960 0.076 0.000 0.219 475 G C 1.167 176.106 174.900 0.066 0.000 1.119 475 G CA 2.274 47.410 45.100 0.059 0.000 0.766 475 G HN 0.453 8.787 8.290 0.075 0.000 0.552 476 S N 2.648 118.390 115.700 0.071 0.000 2.442 476 S HA -0.246 4.424 4.470 0.127 -0.124 0.236 476 S C 1.356 175.991 174.600 0.057 0.000 1.007 476 S CA 3.337 61.585 58.200 0.080 0.000 0.965 476 S CB -0.414 62.813 63.200 0.044 0.000 0.773 476 S HN -0.344 8.232 8.310 0.063 -0.228 0.504 477 L N -0.131 121.112 121.223 0.032 0.000 2.240 477 L HA -0.014 4.559 4.340 0.015 -0.224 0.211 477 L C -0.016 176.849 176.870 -0.009 0.000 1.106 477 L CA 1.223 56.070 54.840 0.011 0.000 0.793 477 L CB 0.258 42.317 42.059 0.001 0.000 0.927 477 L HN -0.418 7.781 8.230 0.032 0.050 0.446 478 I N -1.010 119.553 120.570 -0.011 0.000 2.416 478 I HA 0.110 4.241 4.170 -0.064 0.000 0.288 478 I C -1.242 174.845 176.117 -0.049 0.000 1.051 478 I CA -3.395 57.879 61.300 -0.043 0.000 1.375 478 I CB -1.355 36.623 38.000 -0.038 0.000 1.407 478 I HN -0.804 7.365 8.210 0.004 0.044 0.516 479 P HA 0.165 4.573 4.420 -0.021 0.000 0.228 479 P C -0.225 177.042 177.300 -0.056 0.000 1.748 479 P CA -0.443 62.628 63.100 -0.049 0.000 0.909 479 P CB -1.639 30.026 31.700 -0.059 0.000 1.882 480 G N -0.925 107.817 108.800 -0.097 0.000 2.217 480 G HA2 -0.454 3.570 3.960 -0.302 0.000 0.246 480 G HA3 -0.454 3.430 3.960 -0.126 0.000 0.246 480 G C -1.926 172.899 174.900 -0.124 0.000 0.990 480 G CA 0.525 45.524 45.100 -0.168 0.000 0.627 480 G HN 0.375 8.520 8.290 -0.099 0.086 0.522 481 S N -1.767 113.914 115.700 -0.032 0.000 2.548 481 S HA 0.382 5.050 4.470 0.047 -0.170 0.278 481 S C -1.151 173.520 174.600 0.119 0.000 1.150 481 S CA -0.652 57.598 58.200 0.082 0.000 0.907 481 S CB 2.033 65.374 63.200 0.235 0.000 1.108 481 S HN -0.953 7.189 8.310 -0.043 0.142 0.459 482 V N 6.236 126.215 119.914 0.108 0.000 3.451 482 V HA 0.263 4.506 4.120 0.204 0.000 0.288 482 V C -0.469 175.625 176.094 -0.001 0.000 1.502 482 V CA -1.613 60.758 62.300 0.119 0.000 1.026 482 V CB 1.649 33.480 31.823 0.014 0.000 0.840 482 V HN 0.779 9.322 8.190 0.049 -0.324 0.437 483 G N -0.306 108.299 108.800 -0.325 0.000 2.179 483 G HA2 -0.247 2.692 3.960 -1.702 0.000 0.260 483 G HA3 -0.247 2.589 3.960 -1.873 0.000 0.260 483 G C -1.570 172.840 174.900 -0.816 0.000 0.977 483 G CA 0.896 45.236 45.100 -1.267 0.000 0.641 483 G HN -0.551 7.817 8.290 -0.145 -0.164 0.533 484 V N -7.719 111.913 119.914 -0.471 0.000 3.226 484 V HA 0.209 3.966 4.120 -0.606 0.000 0.304 484 V C -1.996 173.867 176.094 -0.386 0.000 1.336 484 V CA -3.193 58.811 62.300 -0.493 0.000 1.066 484 V CB 1.983 33.510 31.823 -0.492 0.000 1.087 484 V HN -0.884 7.015 8.190 -0.358 0.077 0.451 485 N N 1.333 119.773 118.700 -0.433 0.000 2.359 485 N HA -0.024 4.308 4.740 -0.680 0.000 0.261 485 N C -0.539 174.649 175.510 -0.536 0.000 1.267 485 N CA 0.696 53.431 53.050 -0.525 0.000 0.864 485 N CB 0.259 38.489 38.487 -0.428 0.000 1.063 485 N HN 0.103 8.203 8.380 -0.468 0.000 0.474 486 P HA 0.128 4.393 4.420 -0.258 0.000 0.245 486 P C 0.259 177.400 177.300 -0.264 0.000 1.203 486 P CA 1.073 63.980 63.100 -0.322 0.000 0.792 486 P CB 0.651 32.204 31.700 -0.246 0.000 0.997 487 F N -1.997 117.724 119.950 -0.383 0.000 2.234 487 F HA -0.190 3.986 4.527 -0.585 0.000 0.299 487 F C 0.972 176.528 175.800 -0.407 0.000 1.087 487 F CA 2.255 59.886 58.000 -0.615 0.000 1.340 487 F CB -1.586 36.661 39.000 -1.255 0.000 1.031 487 F HN -0.053 7.946 8.300 -0.500 0.000 0.500 488 V N 0.936 120.717 119.914 -0.222 0.000 2.343 488 V HA -0.434 3.787 4.120 0.169 0.000 0.247 488 V C 2.098 178.272 176.094 0.133 0.000 1.051 488 V CA 4.479 66.796 62.300 0.029 0.000 1.036 488 V CB -1.021 30.772 31.823 -0.050 0.000 0.654 488 V HN 0.076 7.932 8.190 -0.557 0.000 0.451 489 T N 3.039 117.661 114.554 0.114 0.000 2.708 489 T HA -0.381 4.176 4.350 0.346 0.000 0.266 489 T C 2.251 176.973 174.700 0.037 0.000 1.037 489 T CA 5.094 67.308 62.100 0.191 0.000 1.146 489 T CB -0.248 68.740 68.868 0.200 0.000 0.865 489 T HN -0.829 7.416 8.240 0.008 0.000 0.435 490 I N 1.556 122.125 120.570 -0.001 0.000 2.208 490 I HA -0.567 3.599 4.170 -0.007 0.000 0.245 490 I C 1.730 177.832 176.117 -0.025 0.000 1.097 490 I CA 4.447 65.740 61.300 -0.012 0.000 1.363 490 I CB -0.434 37.561 38.000 -0.009 0.000 1.051 490 I HN -0.383 7.814 8.210 -0.022 0.000 0.413 491 T N 2.029 116.580 114.554 -0.004 0.000 2.674 491 T HA -0.452 3.869 4.350 -0.048 0.000 0.265 491 T C 1.773 176.425 174.700 -0.079 0.000 1.039 491 T CA 5.080 67.174 62.100 -0.010 0.000 1.150 491 T CB -0.243 68.695 68.868 0.117 0.000 0.864 491 T HN -0.254 7.990 8.240 0.006 0.000 0.427 492 A N 1.973 124.712 122.820 -0.134 0.000 1.898 492 A HA -0.186 4.021 4.320 -0.188 0.000 0.216 492 A C 1.708 179.081 177.584 -0.351 0.000 1.181 492 A CA 2.928 54.772 52.037 -0.321 0.000 0.620 492 A CB -0.504 17.971 19.000 -0.876 0.000 0.819 492 A HN -0.048 8.047 8.150 -0.093 0.000 0.442 493 L N -0.538 120.518 121.223 -0.279 0.000 2.083 493 L HA -0.237 3.947 4.340 -0.259 0.000 0.209 493 L C 1.659 178.410 176.870 -0.198 0.000 1.083 493 L CA 2.557 57.271 54.840 -0.211 0.000 0.752 493 L CB -0.460 41.550 42.059 -0.083 0.000 0.899 493 L HN -0.105 7.984 8.230 -0.235 0.000 0.433 494 A N -1.443 121.287 122.820 -0.150 0.000 1.930 494 A HA -0.377 3.884 4.320 -0.098 0.000 0.217 494 A C 2.068 179.551 177.584 -0.168 0.000 1.175 494 A CA 3.363 55.322 52.037 -0.130 0.000 0.627 494 A CB -0.851 18.081 19.000 -0.115 0.000 0.815 494 A HN -0.069 8.001 8.150 -0.132 0.000 0.443 495 E N -1.571 118.516 120.200 -0.188 0.000 2.051 495 E HA -0.376 3.919 4.350 -0.093 0.000 0.192 495 E C 2.448 178.812 176.600 -0.393 0.000 0.991 495 E CA 3.264 59.567 56.400 -0.161 0.000 0.799 495 E CB -0.286 29.414 29.700 0.000 0.000 0.748 495 E HN -0.341 7.913 8.360 -0.177 0.000 0.449 496 R N -0.849 119.169 120.500 -0.803 0.000 2.083 496 R HA -0.412 2.762 4.340 -1.945 0.000 0.237 496 R C 2.064 178.152 176.300 -0.354 0.000 1.137 496 R CA 3.639 59.052 56.100 -1.145 0.000 0.951 496 R CB -0.106 29.599 30.300 -0.992 0.000 0.851 496 R HN -0.281 7.578 8.270 -0.686 0.000 0.434 497 N N -0.886 117.708 118.700 -0.177 0.000 2.080 497 N HA -0.238 4.647 4.740 0.241 0.000 0.189 497 N C 1.769 177.260 175.510 -0.032 0.000 1.036 497 N CA 2.952 56.020 53.050 0.030 0.000 0.846 497 N CB -0.439 38.063 38.487 0.025 0.000 1.015 497 N HN -0.178 8.063 8.380 -0.232 0.000 0.423 498 V N 1.035 120.897 119.914 -0.087 0.000 2.515 498 V HA -0.406 3.660 4.120 -0.089 0.000 0.250 498 V C 0.917 176.945 176.094 -0.110 0.000 1.058 498 V CA 3.131 65.369 62.300 -0.104 0.000 1.064 498 V CB -0.344 31.392 31.823 -0.145 0.000 0.675 498 V HN -0.060 8.064 8.190 -0.109 0.000 0.461 499 E N 0.253 120.398 120.200 -0.091 0.000 2.077 499 E HA -0.435 3.886 4.350 -0.048 0.000 0.193 499 E C 2.028 178.583 176.600 -0.074 0.000 0.989 499 E CA 3.624 59.994 56.400 -0.049 0.000 0.800 499 E CB -0.186 29.535 29.700 0.035 0.000 0.746 499 E HN -0.584 7.709 8.360 -0.111 0.000 0.452 500 R N -1.047 119.386 120.500 -0.111 0.000 2.073 500 R HA -0.262 3.974 4.340 -0.172 0.000 0.234 500 R C 2.208 178.394 176.300 -0.190 0.000 1.134 500 R CA 2.894 58.869 56.100 -0.209 0.000 0.952 500 R CB -0.527 29.481 30.300 -0.485 0.000 0.850 500 R HN -0.805 7.408 8.270 -0.096 0.000 0.433 501 I N -1.110 119.350 120.570 -0.183 0.000 2.252 501 I HA -0.471 3.593 4.170 -0.177 0.000 0.245 501 I C 2.070 178.087 176.117 -0.166 0.000 1.102 501 I CA 4.536 65.713 61.300 -0.204 0.000 1.385 501 I CB 0.035 37.819 38.000 -0.361 0.000 1.064 501 I HN -0.044 8.067 8.210 -0.166 0.000 0.414 502 I N -2.318 118.162 120.570 -0.149 0.000 2.252 502 I HA -0.534 3.536 4.170 -0.168 0.000 0.245 502 I C 1.536 177.596 176.117 -0.095 0.000 1.102 502 I CA 4.242 65.461 61.300 -0.135 0.000 1.385 502 I CB -0.430 37.495 38.000 -0.125 0.000 1.064 502 I HN 0.280 8.404 8.210 -0.144 0.000 0.414 503 K N -0.864 119.489 120.400 -0.079 0.000 2.063 503 K HA -0.353 3.941 4.320 -0.042 0.000 0.208 503 K C 1.731 178.304 176.600 -0.046 0.000 1.048 503 K CA 2.838 59.093 56.287 -0.054 0.000 0.928 503 K CB -0.232 32.238 32.500 -0.050 0.000 0.713 503 K HN -0.593 7.605 8.250 -0.086 0.000 0.442 504 Q N -3.775 115.989 119.800 -0.059 0.000 2.394 504 Q HA -0.020 4.306 4.340 -0.023 0.000 0.218 504 Q C 1.016 177.018 176.000 0.002 0.000 0.907 504 Q CA 1.777 57.560 55.803 -0.034 0.000 0.919 504 Q CB 1.013 29.714 28.738 -0.062 0.000 1.051 504 Q HN 0.251 8.406 8.270 -0.081 0.066 0.538 505 D N -2.250 118.150 120.400 -0.000 0.000 2.422 505 D HA 0.182 4.891 4.640 0.115 0.000 0.218 505 D C -0.667 175.685 176.300 0.088 0.000 1.047 505 D CA 1.667 55.715 54.000 0.079 0.000 0.885 505 D CB 2.262 43.137 40.800 0.126 0.000 1.035 505 D HN 0.147 8.393 8.370 -0.042 0.099 0.502 506 V N -2.411 117.462 119.914 -0.067 0.000 2.630 506 V HA -0.007 3.991 4.120 -0.204 0.000 0.305 506 V C -0.756 175.331 176.094 -0.012 0.000 1.046 506 V CA -0.946 61.233 62.300 -0.202 0.000 0.934 506 V CB 1.198 32.730 31.823 -0.484 0.000 1.003 506 V HN -0.604 7.538 8.190 -0.079 0.000 0.451 507 T N 0.000 114.621 114.554 0.112 0.000 3.816 507 T HA 0.000 3.986 4.350 -0.607 0.000 0.228 507 T CA 0.000 nan 62.100 nan 0.000 1.349 507 T CB 0.000 nan 68.868 nan 0.000 0.612 507 T HN 0.000 nan 8.240 nan 0.000 0.658