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 1n4u_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 4.000 3.960 0.066 0.000 0.244 9 G C 0.000 174.962 174.900 0.103 0.000 0.946 9 G CA 0.000 45.147 45.100 0.079 0.000 0.502 10 Y N 2.760 123.069 120.300 0.015 0.000 2.319 10 Y HA 0.686 5.471 4.550 0.020 -0.223 0.328 10 Y C -1.094 174.820 175.900 0.024 0.000 1.133 10 Y CA -0.974 57.136 58.100 0.017 0.000 1.265 10 Y CB 1.465 39.930 38.460 0.007 0.000 1.218 10 Y HN 0.054 8.476 8.280 0.237 0.000 0.508 11 V N 7.669 127.069 119.914 -0.857 0.000 2.888 11 V HA 0.555 4.316 4.120 -0.597 0.000 0.309 11 V C -2.673 172.912 176.094 -0.849 0.000 1.114 11 V CA -4.196 57.691 62.300 -0.690 0.000 0.940 11 V CB 3.614 35.281 31.823 -0.260 0.000 1.021 11 V HN 0.369 8.122 8.190 -0.730 0.000 0.426 12 P HA -0.138 4.183 4.420 -0.165 0.000 0.214 12 P C -1.600 175.745 177.300 0.074 0.000 1.163 12 P CA 2.126 65.139 63.100 -0.144 0.000 0.889 12 P CB 0.525 32.271 31.700 0.077 0.000 0.790 13 A N -6.268 116.622 122.820 0.116 0.000 2.355 13 A HA 0.893 5.657 4.320 0.371 -0.221 0.317 13 A C -2.090 175.570 177.584 0.127 0.000 1.094 13 A CA -1.700 50.491 52.037 0.257 0.000 0.764 13 A CB 3.294 22.470 19.000 0.293 0.000 1.230 13 A HN -0.469 7.705 8.150 0.039 0.000 0.448 14 V N 2.353 122.379 119.914 0.187 0.000 2.555 14 V HA 0.842 5.194 4.120 0.059 -0.197 0.302 14 V C -1.447 174.757 176.094 0.182 0.000 1.038 14 V CA -2.264 60.105 62.300 0.116 0.000 0.887 14 V CB 3.403 35.269 31.823 0.073 0.000 0.991 14 V HN 0.195 8.544 8.190 0.266 0.000 0.434 15 V N 6.804 126.774 119.914 0.093 0.000 2.448 15 V HA 0.588 5.024 4.120 0.183 -0.206 0.295 15 V C -0.777 175.345 176.094 0.046 0.000 1.025 15 V CA -1.964 60.390 62.300 0.090 0.000 0.859 15 V CB 1.894 33.712 31.823 -0.009 0.000 0.988 15 V HN 0.616 8.832 8.190 0.043 0.000 0.431 16 I N 6.025 126.627 120.570 0.055 0.000 2.325 16 I HA 0.074 4.256 4.170 0.021 0.000 0.291 16 I C -0.280 175.844 176.117 0.011 0.000 1.019 16 I CA -0.299 61.016 61.300 0.025 0.000 1.302 16 I CB -0.291 37.718 38.000 0.016 0.000 1.401 16 I HN 0.521 8.781 8.210 0.083 0.000 0.485 17 G N 7.802 116.602 108.800 -0.000 0.000 2.712 17 G HA2 -0.275 3.795 3.960 -0.015 0.000 0.683 17 G HA3 -0.275 3.848 3.960 -0.015 -0.172 0.683 17 G C -1.513 173.369 174.900 -0.029 0.000 1.320 17 G CA -0.069 45.022 45.100 -0.014 0.000 0.847 17 G HN 0.573 8.865 8.290 0.003 0.000 0.553 18 T N -4.139 110.388 114.554 -0.045 0.000 3.604 18 T HA 0.267 4.570 4.350 -0.078 0.000 0.305 18 T C -0.754 173.872 174.700 -0.124 0.000 0.978 18 T CA -1.700 60.357 62.100 -0.072 0.000 0.999 18 T CB 1.100 69.938 68.868 -0.051 0.000 1.204 18 T HN -0.136 8.160 8.240 -0.041 -0.080 0.476 19 G N 0.859 109.589 108.800 -0.118 0.000 2.504 19 G HA2 0.003 3.952 3.960 -0.282 0.000 0.257 19 G HA3 0.003 3.910 3.960 -0.088 0.000 0.257 19 G C -0.455 174.292 174.900 -0.255 0.000 1.451 19 G CA -1.016 43.971 45.100 -0.187 0.000 1.059 19 G HN -0.654 7.591 8.290 -0.075 0.000 0.550 20 Y N 0.046 120.274 120.300 -0.120 0.000 2.114 20 Y HA -0.395 4.010 4.550 -0.240 0.000 0.284 20 Y C 2.390 178.169 175.900 -0.201 0.000 1.143 20 Y CA 4.193 62.184 58.100 -0.181 0.000 1.135 20 Y CB -0.338 38.051 38.460 -0.117 0.000 0.980 20 Y HN 0.232 8.553 8.280 0.068 0.000 0.499 21 G N -3.520 105.299 108.800 0.032 0.000 2.418 21 G HA2 -0.333 3.598 3.960 -0.048 0.000 0.217 21 G HA3 -0.333 3.763 3.960 0.007 -0.132 0.217 21 G C 0.584 175.438 174.900 -0.077 0.000 1.158 21 G CA 2.194 47.278 45.100 -0.026 0.000 0.771 21 G HN 0.222 8.568 8.290 0.093 0.000 0.545 22 A N 1.668 124.446 122.820 -0.070 0.000 1.877 22 A HA -0.317 3.963 4.320 -0.067 0.000 0.216 22 A C 1.521 179.019 177.584 -0.145 0.000 1.186 22 A CA 2.692 54.678 52.037 -0.087 0.000 0.620 22 A CB -0.682 18.280 19.000 -0.064 0.000 0.822 22 A HN -0.106 8.013 8.150 -0.050 0.000 0.443 23 A N -1.271 121.439 122.820 -0.183 0.000 1.898 23 A HA -0.275 3.970 4.320 -0.125 0.000 0.216 23 A C 1.878 179.337 177.584 -0.208 0.000 1.181 23 A CA 2.702 54.629 52.037 -0.184 0.000 0.620 23 A CB -0.494 18.373 19.000 -0.220 0.000 0.819 23 A HN -0.100 7.934 8.150 -0.193 0.000 0.442 24 V N -1.645 118.036 119.914 -0.388 0.000 2.287 24 V HA -0.509 3.420 4.120 -0.318 0.000 0.248 24 V C 1.996 177.985 176.094 -0.174 0.000 1.053 24 V CA 3.892 65.984 62.300 -0.347 0.000 1.027 24 V CB -0.963 30.629 31.823 -0.385 0.000 0.646 24 V HN -0.370 7.570 8.190 -0.417 0.000 0.447 25 S N 0.373 115.941 115.700 -0.220 0.000 2.359 25 S HA -0.441 3.843 4.470 -0.309 0.000 0.224 25 S C 1.905 176.297 174.600 -0.346 0.000 1.035 25 S CA 3.887 61.893 58.200 -0.323 0.000 1.018 25 S CB -0.353 62.606 63.200 -0.402 0.000 0.876 25 S HN -0.595 7.587 8.310 -0.213 0.000 0.448 26 A N 1.336 124.002 122.820 -0.258 0.000 1.933 26 A HA -0.251 3.914 4.320 -0.258 0.000 0.218 26 A C 1.607 179.113 177.584 -0.130 0.000 1.175 26 A CA 2.901 54.816 52.037 -0.202 0.000 0.628 26 A CB -0.506 18.412 19.000 -0.137 0.000 0.814 26 A HN -0.186 7.829 8.150 -0.224 0.000 0.444 27 L N -0.798 120.386 121.223 -0.065 0.000 1.989 27 L HA -0.357 3.971 4.340 -0.021 0.000 0.211 27 L C 1.779 178.622 176.870 -0.046 0.000 1.071 27 L CA 3.127 57.961 54.840 -0.011 0.000 0.749 27 L CB -0.377 41.748 42.059 0.110 0.000 0.890 27 L HN -0.399 7.798 8.230 -0.055 0.000 0.431 28 R N -2.406 118.054 120.500 -0.067 0.000 2.092 28 R HA -0.210 4.101 4.340 -0.049 0.000 0.231 28 R C 2.987 179.214 176.300 -0.122 0.000 1.119 28 R CA 1.095 57.147 56.100 -0.080 0.000 0.970 28 R CB -0.843 29.408 30.300 -0.082 0.000 0.864 28 R HN -0.528 7.697 8.270 -0.074 0.000 0.440 29 L N -1.032 120.079 121.223 -0.188 0.000 2.012 29 L HA -0.363 3.866 4.340 -0.185 0.000 0.210 29 L C 1.964 178.766 176.870 -0.114 0.000 1.073 29 L CA 3.267 57.993 54.840 -0.189 0.000 0.748 29 L CB -0.667 41.226 42.059 -0.277 0.000 0.891 29 L HN 0.153 8.247 8.230 -0.228 0.000 0.431 30 G N -2.779 105.963 108.800 -0.097 0.000 2.422 30 G HA2 -0.351 3.575 3.960 -0.056 0.000 0.218 30 G HA3 -0.351 3.574 3.960 -0.059 0.000 0.218 30 G C 1.930 176.801 174.900 -0.049 0.000 1.146 30 G CA 1.755 46.817 45.100 -0.063 0.000 0.769 30 G HN -0.087 8.137 8.290 -0.111 0.000 0.547 31 E N 2.745 122.915 120.200 -0.050 0.000 2.204 31 E HA -0.272 4.058 4.350 -0.033 0.000 0.195 31 E C 1.455 178.033 176.600 -0.037 0.000 0.990 31 E CA 2.062 58.439 56.400 -0.039 0.000 0.821 31 E CB -0.028 29.651 29.700 -0.035 0.000 0.750 31 E HN -0.218 8.108 8.360 -0.057 0.000 0.477 32 A N -3.449 119.342 122.820 -0.048 0.000 2.238 32 A HA 0.055 4.353 4.320 -0.036 0.000 0.208 32 A C 0.078 177.644 177.584 -0.030 0.000 1.177 32 A CA 0.003 52.014 52.037 -0.044 0.000 0.804 32 A CB -0.046 18.914 19.000 -0.066 0.000 0.823 32 A HN -0.387 7.605 8.150 -0.061 0.121 0.482 33 G N -2.344 106.441 108.800 -0.026 0.000 2.136 33 G HA2 -0.313 3.640 3.960 -0.011 0.000 0.242 33 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.242 33 G C -0.677 174.224 174.900 0.000 0.000 0.989 33 G CA -0.020 45.074 45.100 -0.010 0.000 0.682 33 G HN -0.451 7.624 8.290 -0.033 0.196 0.522 34 V N 3.055 122.962 119.914 -0.012 0.000 2.385 34 V HA -0.021 4.126 4.120 0.045 0.000 0.269 34 V C -0.762 175.334 176.094 0.003 0.000 1.043 34 V CA -1.304 61.004 62.300 0.013 0.000 0.906 34 V CB -0.409 31.412 31.823 -0.004 0.000 0.995 34 V HN -0.386 7.744 8.190 -0.032 0.041 0.467 35 Q N 9.585 129.395 119.800 0.017 0.000 2.289 35 Q HA 0.033 4.555 4.340 -0.017 -0.192 0.273 35 Q C -0.636 175.353 176.000 -0.018 0.000 1.029 35 Q CA 0.285 56.084 55.803 -0.007 0.000 0.896 35 Q CB 0.245 28.979 28.738 -0.007 0.000 1.182 35 Q HN 0.684 8.975 8.270 0.035 0.000 0.385 36 T N 8.643 123.176 114.554 -0.036 0.000 2.881 36 T HA 0.604 5.169 4.350 -0.021 -0.228 0.290 36 T C -2.241 172.429 174.700 -0.050 0.000 1.000 36 T CA -0.803 61.273 62.100 -0.040 0.000 0.978 36 T CB 2.655 71.482 68.868 -0.068 0.000 0.997 36 T HN 0.489 8.706 8.240 -0.039 0.000 0.443 37 L N 7.415 128.611 121.223 -0.046 0.000 2.305 37 L HA 0.597 5.048 4.340 -0.063 -0.150 0.284 37 L C -2.386 174.456 176.870 -0.045 0.000 1.013 37 L CA -1.435 53.372 54.840 -0.056 0.000 0.819 37 L CB 2.853 44.874 42.059 -0.064 0.000 1.227 37 L HN 0.521 8.731 8.230 -0.034 0.000 0.417 38 M N 6.251 125.817 119.600 -0.057 0.000 2.209 38 M HA 0.601 5.293 4.480 -0.031 -0.230 0.355 38 M C -1.165 175.102 176.300 -0.056 0.000 1.171 38 M CA -0.587 54.685 55.300 -0.047 0.000 1.069 38 M CB 1.606 34.175 32.600 -0.052 0.000 1.622 38 M HN 0.764 9.015 8.290 -0.065 0.000 0.459 39 L N 2.634 123.840 121.223 -0.029 0.000 2.298 39 L HA 0.618 5.069 4.340 -0.057 -0.145 0.284 39 L C -1.500 175.380 176.870 0.017 0.000 1.013 39 L CA -1.157 53.673 54.840 -0.015 0.000 0.824 39 L CB 1.351 43.422 42.059 0.021 0.000 1.221 39 L HN 0.559 8.781 8.230 -0.014 0.000 0.418 40 E N 4.148 124.367 120.200 0.031 0.000 2.199 40 E HA 0.457 4.822 4.350 0.025 0.000 0.265 40 E C -0.319 176.336 176.600 0.091 0.000 0.882 40 E CA -1.669 54.756 56.400 0.042 0.000 0.759 40 E CB 2.922 32.639 29.700 0.029 0.000 1.148 40 E HN 0.316 8.690 8.360 0.024 0.000 0.412 41 M N 4.831 124.474 119.600 0.073 0.000 2.319 41 M HA 0.046 4.709 4.480 0.165 -0.084 0.265 41 M C 0.311 176.745 176.300 0.223 0.000 1.068 41 M CA 2.275 57.654 55.300 0.130 0.000 1.118 41 M CB 0.584 33.229 32.600 0.076 0.000 1.395 41 M HN 0.527 8.836 8.290 0.031 0.000 0.435 42 G N -2.016 106.870 108.800 0.143 0.000 2.510 42 G HA2 0.124 4.397 3.960 0.522 0.000 0.280 42 G HA3 0.124 4.310 3.960 0.250 -0.076 0.280 42 G C -2.048 172.956 174.900 0.174 0.000 1.386 42 G CA -1.804 43.463 45.100 0.279 0.000 1.047 42 G HN -0.283 8.391 8.290 0.062 -0.346 0.527 43 Q N -2.480 117.375 119.800 0.092 0.000 2.260 43 Q HA 0.073 4.328 4.340 -0.142 0.000 0.238 43 Q C -1.087 174.807 176.000 -0.176 0.000 0.948 43 Q CA -0.997 54.677 55.803 -0.215 0.000 0.895 43 Q CB 2.170 30.455 28.738 -0.755 0.000 1.218 43 Q HN 0.346 8.751 8.270 0.225 0.000 0.470 44 L N 1.196 122.309 121.223 -0.183 0.000 2.315 44 L HA 0.076 4.433 4.340 0.028 0.000 0.283 44 L C -0.992 175.759 176.870 -0.200 0.000 1.089 44 L CA -0.009 54.777 54.840 -0.090 0.000 0.833 44 L CB 0.210 42.231 42.059 -0.064 0.000 1.170 44 L HN 0.263 8.388 8.230 -0.174 0.000 0.442 45 W N 7.695 128.995 121.300 0.001 0.000 2.247 45 W HA -0.009 4.600 4.660 -0.086 0.000 0.394 45 W C -1.362 175.052 176.519 -0.174 0.000 0.939 45 W CA -0.059 57.237 57.345 -0.083 0.000 1.548 45 W CB -1.084 28.378 29.460 0.004 0.000 1.610 45 W HN 0.407 8.767 8.180 0.300 0.000 0.336 46 N N -1.459 117.207 118.700 -0.055 0.000 2.142 46 N HA 0.032 4.728 4.740 -0.074 0.000 0.233 46 N C -1.096 174.364 175.510 -0.083 0.000 1.335 46 N CA -0.071 52.938 53.050 -0.067 0.000 0.837 46 N CB 1.269 39.730 38.487 -0.044 0.000 1.238 46 N HN -0.496 7.811 8.380 -0.123 0.000 0.501 47 Q N 0.380 120.120 119.800 -0.100 0.000 2.322 47 Q HA 0.504 4.804 4.340 -0.066 0.000 0.265 47 Q C -2.194 173.770 176.000 -0.061 0.000 0.985 47 Q CA -3.110 52.646 55.803 -0.079 0.000 0.849 47 Q CB 0.408 29.093 28.738 -0.088 0.000 1.274 47 Q HN -0.227 7.971 8.270 -0.118 0.000 0.449 48 P HA -0.194 4.320 4.420 -0.037 -0.117 0.265 48 P C -0.774 176.515 177.300 -0.019 0.000 1.193 48 P CA 0.170 63.252 63.100 -0.030 0.000 0.765 48 P CB 0.454 32.143 31.700 -0.019 0.000 0.823 49 G N 2.958 111.756 108.800 -0.004 0.000 2.510 49 G HA2 0.289 4.240 3.960 -0.016 0.000 0.280 49 G HA3 0.289 4.256 3.960 0.011 0.000 0.280 49 G C -0.652 174.243 174.900 -0.009 0.000 1.386 49 G CA -1.480 43.617 45.100 -0.004 0.000 1.047 49 G HN 0.301 8.476 8.290 -0.000 0.115 0.527 50 P HA -0.091 4.316 4.420 -0.021 0.000 0.223 50 P C -1.400 175.899 177.300 -0.003 0.000 1.144 50 P CA 1.851 64.940 63.100 -0.018 0.000 0.783 50 P CB -0.024 31.657 31.700 -0.031 0.000 0.771 51 D N -6.441 113.965 120.400 0.009 0.000 2.431 51 D HA -0.016 4.635 4.640 0.018 0.000 0.213 51 D C 0.975 177.291 176.300 0.028 0.000 1.130 51 D CA -1.063 52.950 54.000 0.022 0.000 0.834 51 D CB -0.962 39.858 40.800 0.034 0.000 0.985 51 D HN -0.449 7.851 8.370 0.010 0.076 0.504 52 G N -0.470 108.341 108.800 0.019 0.000 2.179 52 G HA2 -0.483 3.485 3.960 0.012 0.000 0.260 52 G HA3 -0.483 3.494 3.960 0.027 0.000 0.260 52 G C -0.675 174.239 174.900 0.023 0.000 0.977 52 G CA 0.523 45.636 45.100 0.021 0.000 0.641 52 G HN 0.025 7.970 8.290 0.011 0.351 0.533 53 N N -0.606 118.110 118.700 0.027 0.000 2.443 53 N HA 0.355 5.099 4.740 0.007 0.000 0.293 53 N C 0.043 175.540 175.510 -0.021 0.000 1.159 53 N CA -1.497 51.563 53.050 0.017 0.000 0.904 53 N CB 2.056 40.577 38.487 0.058 0.000 1.214 53 N HN -0.514 8.094 8.380 0.031 -0.210 0.513 54 I N 1.117 121.618 120.570 -0.115 0.000 2.202 54 I HA -0.203 4.066 4.170 -0.130 -0.177 0.242 54 I C 0.638 176.637 176.117 -0.197 0.000 1.091 54 I CA 3.678 64.828 61.300 -0.250 0.000 1.368 54 I CB 0.946 38.616 38.000 -0.549 0.000 1.058 54 I HN -0.044 8.172 8.210 -0.129 -0.083 0.410 55 F N -2.699 117.299 119.950 0.079 0.000 2.492 55 F HA 0.234 4.776 4.527 0.024 0.000 0.327 55 F C -0.586 175.241 175.800 0.046 0.000 1.079 55 F CA -0.869 57.145 58.000 0.024 0.000 0.967 55 F CB 1.971 40.934 39.000 -0.061 0.000 1.169 55 F HN -0.458 8.176 8.300 -0.011 -0.341 0.472 56 C N 0.089 119.544 119.300 0.259 0.000 2.539 56 C HA 0.173 4.726 4.460 0.155 0.000 0.392 56 C C 0.324 175.468 174.990 0.257 0.000 1.269 56 C CA -1.896 57.231 59.018 0.182 0.000 2.250 56 C CB 0.866 28.653 27.740 0.079 0.000 2.584 56 C HN 0.332 8.712 8.230 0.250 0.000 0.589 57 G N 1.318 110.242 108.800 0.207 0.000 2.580 57 G HA2 0.286 4.344 3.960 0.164 0.000 0.278 57 G HA3 0.286 4.374 3.960 0.141 -0.044 0.278 57 G C 0.221 175.284 174.900 0.272 0.000 1.212 57 G CA -1.252 43.963 45.100 0.191 0.000 0.939 57 G HN -0.054 8.728 8.290 0.166 -0.392 0.513 58 M N -0.068 119.615 119.600 0.138 0.000 2.394 58 M HA -0.147 4.519 4.480 0.311 0.000 0.264 58 M C 0.510 176.902 176.300 0.153 0.000 1.073 58 M CA 3.255 58.635 55.300 0.133 0.000 1.111 58 M CB 0.257 32.816 32.600 -0.069 0.000 1.401 58 M HN 0.386 8.714 8.290 0.065 0.000 0.448 59 L N -4.251 117.037 121.223 0.108 0.000 2.607 59 L HA -0.016 4.373 4.340 0.082 0.000 0.228 59 L C -0.687 176.233 176.870 0.084 0.000 1.123 59 L CA -0.188 54.703 54.840 0.085 0.000 0.890 59 L CB -0.167 41.928 42.059 0.060 0.000 1.103 59 L HN -0.030 8.230 8.230 0.099 0.030 0.468 60 N N -2.680 116.082 118.700 0.104 0.000 2.646 60 N HA 0.179 4.952 4.740 0.056 0.000 0.303 60 N C -2.773 172.774 175.510 0.062 0.000 1.921 60 N CA -2.802 50.291 53.050 0.072 0.000 0.872 60 N CB 0.063 38.587 38.487 0.062 0.000 1.327 60 N HN -0.750 7.549 8.380 0.135 0.163 0.492 61 P HA -0.054 4.297 4.420 -0.115 0.000 0.271 61 P C -1.283 175.968 177.300 -0.081 0.000 1.216 61 P CA 0.287 63.349 63.100 -0.064 0.000 0.776 61 P CB 0.535 32.188 31.700 -0.079 0.000 0.881 62 D N 0.808 121.132 120.400 -0.127 0.000 2.958 62 D HA 0.086 4.672 4.640 -0.089 0.000 0.306 62 D C 0.118 176.340 176.300 -0.131 0.000 1.226 62 D CA -1.454 52.483 54.000 -0.105 0.000 1.032 62 D CB 0.981 41.732 40.800 -0.082 0.000 1.400 62 D HN -0.449 7.818 8.370 -0.172 0.000 0.587 63 K N -2.713 117.598 120.400 -0.147 0.000 2.209 63 K HA -0.277 3.987 4.320 -0.093 0.000 0.204 63 K C 2.476 179.068 176.600 -0.013 0.000 1.048 63 K CA 2.942 59.142 56.287 -0.145 0.000 0.940 63 K CB -0.391 31.928 32.500 -0.302 0.000 0.729 63 K HN 0.261 8.412 8.250 -0.165 0.000 0.451 64 R N -1.347 119.156 120.500 0.004 0.000 2.237 64 R HA -0.247 4.473 4.340 0.634 0.000 0.219 64 R C 1.922 178.303 176.300 0.135 0.000 1.080 64 R CA 2.621 58.899 56.100 0.297 0.000 0.995 64 R CB -0.227 30.261 30.300 0.314 0.000 0.875 64 R HN -0.312 8.129 8.270 -0.080 -0.218 0.462 65 S N -1.739 113.882 115.700 -0.131 0.000 2.461 65 S HA -0.106 4.083 4.470 -0.467 0.000 0.228 65 S C 0.075 174.594 174.600 -0.135 0.000 1.005 65 S CA 2.323 60.245 58.200 -0.464 0.000 0.942 65 S CB 0.393 62.912 63.200 -1.134 0.000 0.776 65 S HN -0.236 7.813 8.310 -0.149 0.171 0.514 66 S N 0.520 116.236 115.700 0.026 0.000 2.571 66 S HA 0.320 5.070 4.470 0.157 -0.186 0.284 66 S C -1.920 172.775 174.600 0.158 0.000 1.128 66 S CA -0.287 57.977 58.200 0.107 0.000 0.970 66 S CB 3.035 66.266 63.200 0.051 0.000 1.039 66 S HN -0.722 7.566 8.310 0.058 0.058 0.485 67 W N 7.359 128.686 121.300 0.045 0.000 2.507 67 W HA -0.012 4.717 4.660 -0.093 -0.125 0.334 67 W C -1.116 175.457 176.519 0.091 0.000 1.165 67 W CA -0.130 57.238 57.345 0.038 0.000 1.460 67 W CB 0.375 29.928 29.460 0.155 0.000 1.404 67 W HN 0.188 8.608 8.180 0.401 0.000 0.435 68 F N 4.969 124.768 119.950 -0.252 0.000 2.773 68 F HA -0.449 4.032 4.527 -0.194 -0.071 0.251 68 F C -1.582 174.191 175.800 -0.045 0.000 1.020 68 F CA 1.005 58.867 58.000 -0.231 0.000 0.924 68 F CB -2.211 36.534 39.000 -0.424 0.000 0.919 68 F HN 0.337 8.025 8.300 -1.019 0.000 0.846 69 K N -1.709 118.721 120.400 0.051 0.000 2.350 69 K HA 0.261 4.635 4.320 0.089 0.000 0.241 69 K C -0.639 175.986 176.600 0.041 0.000 0.994 69 K CA -2.254 54.075 56.287 0.071 0.000 0.839 69 K CB 2.549 35.098 32.500 0.081 0.000 1.244 69 K HN -0.548 7.690 8.250 -0.019 0.000 0.443 70 N N -1.287 117.441 118.700 0.047 0.000 2.236 70 N HA 0.036 4.959 4.740 0.024 -0.169 0.196 70 N C -0.396 175.131 175.510 0.029 0.000 1.114 70 N CA -0.598 52.472 53.050 0.033 0.000 0.859 70 N CB 0.824 39.332 38.487 0.035 0.000 0.982 70 N HN 0.307 8.721 8.380 0.055 0.000 0.493 71 R N -1.027 119.496 120.500 0.038 0.000 2.604 71 R HA 0.360 4.866 4.340 0.026 -0.151 0.270 71 R C -1.966 174.364 176.300 0.049 0.000 1.052 71 R CA -0.826 55.298 56.100 0.040 0.000 0.902 71 R CB 2.941 33.274 30.300 0.056 0.000 1.233 71 R HN -0.849 7.396 8.270 0.046 0.052 0.455 72 T N 2.967 117.542 114.554 0.035 0.000 2.802 72 T HA -0.020 4.346 4.350 0.026 0.000 0.305 72 T C -0.129 174.636 174.700 0.110 0.000 1.053 72 T CA -0.074 62.050 62.100 0.040 0.000 1.058 72 T CB 1.302 70.168 68.868 -0.003 0.000 0.988 72 T HN 0.112 8.366 8.240 0.022 0.000 0.539 73 E N 0.950 121.247 120.200 0.163 0.000 2.317 73 E HA 0.185 4.671 4.350 0.227 0.000 0.270 73 E C -1.640 175.121 176.600 0.269 0.000 0.885 73 E CA -1.624 54.915 56.400 0.230 0.000 0.760 73 E CB 3.515 33.369 29.700 0.256 0.000 1.227 73 E HN 0.108 8.561 8.360 0.156 0.000 0.434 74 A N 3.011 125.997 122.820 0.277 0.000 2.407 74 A HA 0.147 4.594 4.320 0.212 0.000 0.248 74 A C -1.939 175.776 177.584 0.219 0.000 1.082 74 A CA -1.268 50.914 52.037 0.241 0.000 0.785 74 A CB -0.725 18.424 19.000 0.249 0.000 1.020 74 A HN 0.055 8.397 8.150 0.320 0.000 0.489 75 P HA -0.115 4.323 4.420 0.030 0.000 0.264 75 P C -0.489 176.861 177.300 0.083 0.000 1.183 75 P CA 0.057 63.190 63.100 0.054 0.000 0.763 75 P CB 0.380 32.062 31.700 -0.031 0.000 0.807 76 L N 3.127 124.369 121.223 0.031 0.000 2.540 76 L HA -0.434 3.974 4.340 0.113 0.000 0.276 76 L C 1.033 177.959 176.870 0.094 0.000 1.212 76 L CA 1.450 56.310 54.840 0.034 0.000 0.893 76 L CB -0.440 41.483 42.059 -0.227 0.000 1.138 76 L HN 0.361 8.585 8.230 -0.011 0.000 0.491 77 G N 3.208 112.130 108.800 0.203 0.000 2.254 77 G HA2 -0.292 3.614 3.960 -0.090 0.000 0.225 77 G HA3 -0.292 3.717 3.960 0.082 0.000 0.225 77 G C -0.119 174.854 174.900 0.123 0.000 1.003 77 G CA 0.705 45.854 45.100 0.082 0.000 0.622 77 G HN 0.628 9.077 8.290 0.265 0.000 0.507 78 S N -1.298 114.517 115.700 0.192 0.000 2.629 78 S HA 0.185 4.980 4.470 0.541 0.000 0.236 78 S C 0.158 174.921 174.600 0.271 0.000 1.010 78 S CA -0.000 58.390 58.200 0.317 0.000 0.981 78 S CB 1.935 65.247 63.200 0.187 0.000 0.919 78 S HN -0.357 7.983 8.310 0.170 0.072 0.514 79 F N 5.077 125.052 119.950 0.041 0.000 2.120 79 F HA -0.409 4.129 4.527 0.019 0.000 0.300 79 F C 0.885 176.595 175.800 -0.150 0.000 1.095 79 F CA 4.420 62.405 58.000 -0.025 0.000 1.249 79 F CB 0.030 39.010 39.000 -0.034 0.000 0.995 79 F HN -0.075 8.413 8.300 0.313 0.000 0.480 80 L N -3.921 117.126 121.223 -0.293 0.000 2.191 80 L HA -0.375 3.652 4.340 -0.522 0.000 0.212 80 L C 1.351 177.703 176.870 -0.863 0.000 1.103 80 L CA 2.430 56.810 54.840 -0.767 0.000 0.769 80 L CB -0.676 40.564 42.059 -1.364 0.000 0.908 80 L HN -0.113 7.979 8.230 -0.201 0.018 0.438 81 W N -4.807 116.418 121.300 -0.125 0.000 2.871 81 W HA 0.081 4.675 4.660 -0.110 0.000 0.267 81 W C 1.127 177.568 176.519 -0.130 0.000 1.180 81 W CA 0.588 57.864 57.345 -0.116 0.000 1.463 81 W CB 1.523 30.928 29.460 -0.093 0.000 0.966 81 W HN -0.612 7.489 8.180 -0.064 0.041 0.605 82 L N -3.918 117.335 121.223 0.051 0.000 2.664 82 L HA 0.201 4.558 4.340 0.029 0.000 0.233 82 L C 0.772 177.575 176.870 -0.111 0.000 1.113 82 L CA 0.058 54.904 54.840 0.009 0.000 0.896 82 L CB 0.726 42.829 42.059 0.074 0.000 1.163 82 L HN -0.204 8.051 8.230 0.042 0.000 0.497 83 D N 2.161 122.349 120.400 -0.354 0.000 2.218 83 D HA -0.328 4.130 4.640 -0.304 0.000 0.204 83 D C 1.742 177.904 176.300 -0.229 0.000 0.976 83 D CA 3.205 56.933 54.000 -0.454 0.000 0.853 83 D CB -0.128 40.008 40.800 -1.107 0.000 0.939 83 D HN -0.541 7.552 8.370 -0.462 0.000 0.481 84 V N -1.063 118.743 119.914 -0.179 0.000 2.720 84 V HA -0.265 3.794 4.120 -0.101 0.000 0.256 84 V C 0.344 176.409 176.094 -0.048 0.000 1.082 84 V CA 2.774 65.016 62.300 -0.097 0.000 1.101 84 V CB -0.304 31.476 31.823 -0.071 0.000 0.693 84 V HN 0.142 8.183 8.190 -0.198 0.031 0.479 85 V N -4.849 115.046 119.914 -0.030 0.000 3.649 85 V HA 0.083 4.203 4.120 -0.001 0.000 0.275 85 V C -0.190 175.908 176.094 0.007 0.000 1.281 85 V CA -0.587 61.713 62.300 0.001 0.000 1.143 85 V CB -0.892 30.946 31.823 0.026 0.000 0.892 85 V HN -0.682 7.342 8.190 -0.040 0.142 0.441 86 N N 1.673 120.372 118.700 -0.002 0.000 2.479 86 N HA 0.049 4.807 4.740 0.030 0.000 0.257 86 N C -0.543 174.974 175.510 0.011 0.000 1.232 86 N CA 1.077 54.138 53.050 0.018 0.000 0.920 86 N CB 0.854 39.362 38.487 0.036 0.000 1.105 86 N HN -0.610 7.581 8.380 -0.026 0.174 0.444 87 R N -1.003 119.504 120.500 0.012 0.000 2.739 87 R HA 0.251 4.595 4.340 0.007 0.000 0.271 87 R C -1.534 174.769 176.300 0.006 0.000 1.010 87 R CA -1.185 54.917 56.100 0.005 0.000 0.897 87 R CB 2.767 33.063 30.300 -0.007 0.000 1.236 87 R HN 0.284 8.564 8.270 0.015 0.000 0.466 88 N N 1.182 119.885 118.700 0.005 0.000 2.492 88 N HA 0.111 5.005 4.740 0.012 -0.146 0.260 88 N C 0.222 175.726 175.510 -0.011 0.000 1.215 88 N CA 0.420 53.473 53.050 0.004 0.000 0.923 88 N CB 0.403 38.894 38.487 0.006 0.000 1.092 88 N HN 0.236 8.619 8.380 0.006 0.000 0.448 89 I N -4.195 116.367 120.570 -0.013 0.000 2.994 89 I HA 0.355 4.499 4.170 -0.043 0.000 0.306 89 I C -1.533 174.570 176.117 -0.024 0.000 1.195 89 I CA -2.071 59.209 61.300 -0.033 0.000 1.001 89 I CB 3.865 41.836 38.000 -0.048 0.000 1.244 89 I HN 0.009 8.107 8.210 -0.003 0.111 0.437 90 D N 2.458 122.835 120.400 -0.038 0.000 2.389 90 D HA 0.106 4.746 4.640 -0.001 0.000 0.247 90 D C -1.594 174.699 176.300 -0.011 0.000 1.128 90 D CA -1.418 52.572 54.000 -0.017 0.000 0.884 90 D CB -0.536 40.250 40.800 -0.023 0.000 1.194 90 D HN 0.070 8.404 8.370 -0.059 0.000 0.441 91 P HA -0.080 4.447 4.420 -0.067 -0.148 0.267 91 P C -1.992 175.226 177.300 -0.136 0.000 1.205 91 P CA 0.208 63.305 63.100 -0.006 0.000 0.765 91 P CB 0.507 32.307 31.700 0.167 0.000 0.828 92 Y N 3.654 123.451 120.300 -0.839 0.000 2.638 92 Y HA 0.324 4.610 4.550 -0.697 -0.154 0.335 92 Y C -1.928 173.022 175.900 -1.583 0.000 1.155 92 Y CA -1.228 56.328 58.100 -0.906 0.000 1.046 92 Y CB 4.481 42.711 38.460 -0.383 0.000 1.303 92 Y HN -0.223 7.599 8.280 -0.762 0.000 0.460 93 A N 3.773 125.543 122.820 -1.749 0.000 3.029 93 A HA 0.143 3.549 4.320 -1.522 0.000 0.251 93 A C -0.819 176.585 177.584 -0.300 0.000 1.749 93 A CA -0.760 50.597 52.037 -1.132 0.000 1.386 93 A CB -2.055 16.581 19.000 -0.607 0.000 1.043 93 A HN -0.024 7.041 8.150 -1.809 0.000 0.638 94 G N -0.885 107.939 108.800 0.039 0.000 2.588 94 G HA2 0.235 4.722 3.960 0.880 0.000 0.278 94 G HA3 0.235 4.573 3.960 0.428 -0.122 0.278 94 G C -0.718 174.568 174.900 0.643 0.000 1.307 94 G CA -1.152 44.281 45.100 0.556 0.000 1.016 94 G HN -0.523 7.544 8.290 -0.248 0.074 0.503 95 V N -1.613 118.504 119.914 0.340 0.000 3.174 95 V HA 0.065 4.539 4.120 0.309 -0.169 0.254 95 V C -0.790 175.375 176.094 0.118 0.000 1.120 95 V CA 0.289 62.651 62.300 0.102 0.000 1.114 95 V CB 1.171 32.675 31.823 -0.532 0.000 0.756 95 V HN -0.164 8.156 8.190 0.218 0.000 0.467 96 L N -1.562 119.771 121.223 0.185 0.000 2.325 96 L HA 0.488 5.036 4.340 0.135 -0.127 0.281 96 L C -2.670 174.350 176.870 0.250 0.000 1.004 96 L CA -1.521 53.436 54.840 0.196 0.000 0.823 96 L CB 2.896 45.115 42.059 0.267 0.000 1.236 96 L HN -0.939 7.416 8.230 0.209 0.000 0.415 97 D N 6.846 127.356 120.400 0.183 0.000 2.414 97 D HA 0.348 5.151 4.640 0.271 0.000 0.232 97 D C -1.818 174.516 176.300 0.057 0.000 1.070 97 D CA -1.663 52.436 54.000 0.165 0.000 0.839 97 D CB 2.352 43.158 40.800 0.009 0.000 1.079 97 D HN 0.482 8.931 8.370 0.132 0.000 0.521 98 R N 6.703 127.199 120.500 -0.007 0.000 2.242 98 R HA -0.004 4.053 4.340 -0.666 -0.116 0.334 98 R C -1.372 174.807 176.300 -0.201 0.000 1.071 98 R CA 0.133 56.028 56.100 -0.340 0.000 0.922 98 R CB 0.217 30.327 30.300 -0.317 0.000 1.023 98 R HN 0.493 8.819 8.270 0.092 0.000 0.458 99 V N 8.850 128.623 119.914 -0.235 0.000 2.348 99 V HA 0.134 4.133 4.120 -0.201 0.000 0.270 99 V C -1.744 174.130 176.094 -0.367 0.000 1.037 99 V CA -1.359 60.790 62.300 -0.251 0.000 0.872 99 V CB 0.237 31.935 31.823 -0.209 0.000 1.002 99 V HN 0.683 8.711 8.190 -0.271 0.000 0.464 100 N N 7.735 126.227 118.700 -0.348 0.000 2.422 100 N HA 0.183 4.812 4.740 -0.185 0.000 0.266 100 N C -0.777 174.491 175.510 -0.402 0.000 1.007 100 N CA -0.654 52.237 53.050 -0.264 0.000 0.941 100 N CB 1.053 39.469 38.487 -0.119 0.000 1.115 100 N HN 0.373 8.582 8.380 -0.285 0.000 0.492 101 Y N 4.156 124.439 120.300 -0.028 0.000 2.618 101 Y HA 0.086 4.619 4.550 -0.029 0.000 0.326 101 Y C 1.158 177.054 175.900 -0.006 0.000 1.168 101 Y CA -0.868 57.210 58.100 -0.037 0.000 1.269 101 Y CB 1.814 40.212 38.460 -0.103 0.000 1.388 101 Y HN 0.129 8.393 8.280 -0.026 0.000 0.528 102 D N -0.115 120.394 120.400 0.181 0.000 2.126 102 D HA -0.311 4.379 4.640 0.083 0.000 0.190 102 D C 0.639 177.006 176.300 0.112 0.000 1.001 102 D CA 2.903 56.968 54.000 0.107 0.000 0.841 102 D CB 0.540 41.386 40.800 0.077 0.000 0.949 102 D HN 0.573 9.068 8.370 0.208 0.000 0.446 103 Q N -4.876 115.016 119.800 0.153 0.000 2.063 103 Q HA 0.210 4.636 4.340 0.143 0.000 0.245 103 Q C -1.833 174.323 176.000 0.260 0.000 0.828 103 Q CA -1.105 54.805 55.803 0.178 0.000 1.089 103 Q CB 0.713 29.541 28.738 0.150 0.000 1.232 103 Q HN 0.262 8.635 8.270 0.173 0.000 0.445 104 M N -0.896 118.835 119.600 0.218 0.000 2.365 104 M HA 0.160 4.897 4.480 0.192 -0.143 0.288 104 M C -2.643 173.759 176.300 0.170 0.000 1.152 104 M CA -0.190 55.222 55.300 0.186 0.000 0.948 104 M CB 3.902 36.545 32.600 0.072 0.000 1.729 104 M HN -0.801 7.608 8.290 0.198 0.000 0.487 105 S N 6.342 122.140 115.700 0.163 0.000 2.498 105 S HA 0.673 5.335 4.470 0.012 -0.185 0.317 105 S C -1.221 173.465 174.600 0.142 0.000 1.090 105 S CA -0.594 57.658 58.200 0.087 0.000 1.089 105 S CB 1.452 64.701 63.200 0.081 0.000 0.997 105 S HN 0.247 8.674 8.310 0.194 0.000 0.470 106 V N 5.936 125.896 119.914 0.077 0.000 2.398 106 V HA 0.435 5.129 4.120 0.361 -0.357 0.286 106 V C -1.190 174.956 176.094 0.087 0.000 1.026 106 V CA -1.344 61.090 62.300 0.222 0.000 0.868 106 V CB 1.818 33.823 31.823 0.305 0.000 0.982 106 V HN 0.624 8.816 8.190 0.003 0.000 0.443 107 Y N 7.074 127.552 120.300 0.296 0.000 2.328 107 Y HA 0.561 5.418 4.550 0.186 -0.195 0.337 107 Y C -0.286 175.711 175.900 0.161 0.000 1.008 107 Y CA -0.981 57.255 58.100 0.227 0.000 1.129 107 Y CB 1.166 39.780 38.460 0.257 0.000 1.185 107 Y HN 0.341 9.042 8.280 0.701 0.000 0.476 108 V N -1.909 118.121 119.914 0.193 0.000 3.007 108 V HA 0.507 4.715 4.120 0.146 0.000 0.311 108 V C -2.074 174.052 176.094 0.053 0.000 1.120 108 V CA -3.184 59.186 62.300 0.117 0.000 0.980 108 V CB 3.752 35.620 31.823 0.075 0.000 1.033 108 V HN 0.190 8.474 8.190 0.157 0.000 0.429 109 G N 0.720 109.536 108.800 0.026 0.000 2.444 109 G HA2 0.271 4.391 3.960 -0.005 0.000 0.268 109 G HA3 0.271 4.371 3.960 -0.020 -0.152 0.268 109 G C -0.703 174.163 174.900 -0.057 0.000 1.203 109 G CA -0.635 44.457 45.100 -0.013 0.000 0.835 109 G HN 0.218 8.536 8.290 0.045 0.000 0.543 110 R N 2.565 123.046 120.500 -0.032 0.000 2.468 110 R HA 0.298 4.535 4.340 -0.171 0.000 0.302 110 R C -1.260 175.166 176.300 0.210 0.000 1.041 110 R CA -1.640 54.411 56.100 -0.080 0.000 0.899 110 R CB 1.306 31.402 30.300 -0.341 0.000 1.167 110 R HN 0.100 8.382 8.270 0.020 0.000 0.483 111 G N 0.770 109.683 108.800 0.188 0.000 2.356 111 G HA2 -0.008 4.241 3.960 0.364 0.000 0.300 111 G HA3 -0.008 4.329 3.960 0.628 0.000 0.300 111 G C -2.469 172.551 174.900 0.201 0.000 1.331 111 G CA 0.196 45.519 45.100 0.372 0.000 0.905 111 G HN -0.335 8.121 8.290 0.071 -0.123 0.587 112 V N 1.973 122.018 119.914 0.218 0.000 2.403 112 V HA -0.305 3.846 4.120 0.052 0.000 0.265 112 V C 0.534 176.670 176.094 0.070 0.000 1.034 112 V CA 0.767 63.128 62.300 0.101 0.000 1.036 112 V CB -2.006 29.864 31.823 0.078 0.000 1.032 112 V HN 0.034 8.399 8.190 0.291 0.000 0.478 113 G N 5.320 114.106 108.800 -0.024 0.000 2.211 113 G HA2 -0.215 3.714 3.960 -0.183 0.000 0.201 113 G HA3 -0.215 3.688 3.960 -0.094 0.000 0.201 113 G C 0.139 174.942 174.900 -0.162 0.000 0.997 113 G CA -0.414 44.614 45.100 -0.119 0.000 0.652 113 G HN 0.429 8.698 8.290 -0.035 0.000 0.500 114 G N 1.524 110.280 108.800 -0.074 0.000 2.596 114 G HA2 -0.452 3.486 3.960 -0.036 0.000 0.295 114 G HA3 -0.452 3.462 3.960 -0.076 0.000 0.295 114 G C -0.006 174.859 174.900 -0.060 0.000 1.240 114 G CA 0.270 45.332 45.100 -0.064 0.000 0.985 114 G HN -0.056 8.116 8.290 -0.024 0.104 0.555 115 G N 0.298 109.096 108.800 -0.003 0.000 2.498 115 G HA2 -0.238 3.734 3.960 0.020 0.000 0.219 115 G HA3 -0.238 3.800 3.960 0.129 0.000 0.219 115 G C 1.044 175.958 174.900 0.023 0.000 1.119 115 G CA 1.589 46.719 45.100 0.050 0.000 0.766 115 G HN 0.279 8.583 8.290 0.022 0.000 0.552 116 S N 1.205 116.853 115.700 -0.087 0.000 2.442 116 S HA -0.255 4.173 4.470 -0.069 0.000 0.236 116 S C 1.166 175.670 174.600 -0.159 0.000 1.007 116 S CA 2.900 60.996 58.200 -0.174 0.000 0.965 116 S CB -0.642 62.279 63.200 -0.464 0.000 0.773 116 S HN -0.536 7.627 8.310 -0.177 0.042 0.504 117 L N -0.960 120.164 121.223 -0.165 0.000 2.156 117 L HA -0.103 4.094 4.340 -0.239 0.000 0.208 117 L C 1.531 178.205 176.870 -0.326 0.000 1.095 117 L CA 2.338 57.030 54.840 -0.247 0.000 0.770 117 L CB 0.169 42.079 42.059 -0.248 0.000 0.914 117 L HN -0.543 7.560 8.230 -0.144 0.040 0.439 118 V N -7.381 112.402 119.914 -0.217 0.000 3.605 118 V HA 0.414 4.491 4.120 -0.294 -0.134 0.284 118 V C -0.429 175.576 176.094 -0.148 0.000 1.386 118 V CA -1.607 60.563 62.300 -0.216 0.000 1.053 118 V CB 0.344 32.069 31.823 -0.162 0.000 0.857 118 V HN -0.591 7.371 8.190 -0.152 0.137 0.436 119 N N 2.266 120.929 118.700 -0.061 0.000 2.413 119 N HA 0.065 4.797 4.740 -0.014 0.000 0.266 119 N C 0.883 176.425 175.510 0.054 0.000 1.238 119 N CA -0.183 52.885 53.050 0.030 0.000 0.972 119 N CB 0.344 38.928 38.487 0.161 0.000 1.210 119 N HN -0.691 7.654 8.380 -0.059 0.000 0.547 120 G N -2.063 106.807 108.800 0.117 0.000 3.026 120 G HA2 -0.123 3.880 3.960 0.072 0.000 0.208 120 G HA3 -0.123 3.914 3.960 0.128 0.000 0.208 120 G C 0.117 175.125 174.900 0.180 0.000 1.169 120 G CA -0.602 44.570 45.100 0.121 0.000 0.788 120 G HN 0.448 8.827 8.290 0.147 0.000 0.533 121 G N -0.858 108.109 108.800 0.279 0.000 2.184 121 G HA2 -0.417 3.872 3.960 0.441 0.000 0.264 121 G HA3 -0.417 3.870 3.960 0.250 -0.177 0.264 121 G C -0.535 174.578 174.900 0.355 0.000 0.975 121 G CA 0.440 45.756 45.100 0.360 0.000 0.642 121 G HN -0.364 8.272 8.290 0.308 -0.162 0.536 122 M N -0.027 119.672 119.600 0.166 0.000 2.184 122 M HA 0.165 4.830 4.480 0.041 -0.160 0.351 122 M C -1.169 174.882 176.300 -0.415 0.000 1.395 122 M CA 0.669 55.946 55.300 -0.038 0.000 1.117 122 M CB 0.585 33.166 32.600 -0.032 0.000 1.708 122 M HN -0.613 7.735 8.290 0.197 0.061 0.468 123 A N 7.552 130.190 122.820 -0.304 0.000 2.399 123 A HA 0.314 4.084 4.320 -0.916 0.000 0.327 123 A C -1.895 175.523 177.584 -0.277 0.000 1.367 123 A CA -0.964 50.813 52.037 -0.432 0.000 0.842 123 A CB 0.848 19.808 19.000 -0.066 0.000 1.142 123 A HN 0.437 8.409 8.150 -0.129 0.100 0.495 124 V N 3.549 123.248 119.914 -0.360 0.000 2.531 124 V HA 0.095 4.103 4.120 -0.186 0.000 0.301 124 V C -0.760 175.171 176.094 -0.272 0.000 1.034 124 V CA -2.186 59.951 62.300 -0.271 0.000 0.865 124 V CB 3.157 34.777 31.823 -0.339 0.000 0.995 124 V HN 0.003 7.894 8.190 -0.500 0.000 0.424 125 E N 6.782 126.822 120.200 -0.267 0.000 2.331 125 E HA 0.175 4.194 4.350 -0.551 0.000 0.272 125 E C -1.626 174.804 176.600 -0.284 0.000 1.036 125 E CA -2.057 54.069 56.400 -0.456 0.000 0.864 125 E CB -0.166 29.152 29.700 -0.637 0.000 1.035 125 E HN 0.117 8.354 8.360 -0.205 0.000 0.408 126 P HA 0.008 4.376 4.420 -0.088 0.000 0.272 126 P C -0.784 176.557 177.300 0.069 0.000 1.240 126 P CA -0.607 62.479 63.100 -0.023 0.000 0.791 126 P CB 0.786 32.591 31.700 0.175 0.000 0.978 127 K N 1.738 122.184 120.400 0.076 0.000 2.451 127 K HA -0.207 4.144 4.320 0.051 0.000 0.280 127 K C 1.159 177.853 176.600 0.157 0.000 1.020 127 K CA 0.700 57.046 56.287 0.097 0.000 1.008 127 K CB 0.662 33.227 32.500 0.108 0.000 0.917 127 K HN 0.438 8.693 8.250 0.008 0.000 0.478 128 R N 8.238 128.699 120.500 -0.064 0.000 2.091 128 R HA -0.381 3.871 4.340 -0.146 0.000 0.238 128 R C 1.764 178.098 176.300 0.057 0.000 1.136 128 R CA 3.731 59.685 56.100 -0.243 0.000 0.959 128 R CB -0.408 29.421 30.300 -0.786 0.000 0.856 128 R HN 0.710 8.895 8.270 -0.140 0.000 0.437 129 S N -2.960 112.785 115.700 0.076 0.000 2.399 129 S HA -0.231 4.458 4.470 0.103 -0.157 0.231 129 S C 1.505 176.251 174.600 0.244 0.000 1.022 129 S CA 2.536 60.819 58.200 0.139 0.000 0.983 129 S CB -0.575 62.699 63.200 0.122 0.000 0.803 129 S HN 0.197 8.531 8.310 0.040 0.000 0.480 130 Y N 4.179 124.584 120.300 0.176 0.000 2.220 130 Y HA -0.238 4.435 4.550 0.205 0.000 0.291 130 Y C 1.113 177.126 175.900 0.188 0.000 1.129 130 Y CA 1.939 60.163 58.100 0.207 0.000 1.161 130 Y CB 0.139 38.743 38.460 0.240 0.000 0.997 130 Y HN -0.779 7.626 8.280 0.382 0.104 0.522 131 F N 1.143 121.152 119.950 0.098 0.000 2.120 131 F HA -0.560 3.960 4.527 -0.011 0.000 0.300 131 F C 1.342 177.150 175.800 0.013 0.000 1.095 131 F CA 4.496 62.538 58.000 0.070 0.000 1.249 131 F CB 0.105 39.291 39.000 0.309 0.000 0.995 131 F HN 0.110 8.689 8.300 0.464 0.000 0.480 132 E N -2.338 117.996 120.200 0.224 0.000 2.150 132 E HA -0.446 3.998 4.350 0.156 0.000 0.193 132 E C 1.961 178.546 176.600 -0.026 0.000 0.985 132 E CA 2.822 59.295 56.400 0.122 0.000 0.814 132 E CB -0.397 29.388 29.700 0.141 0.000 0.752 132 E HN -0.260 8.272 8.360 0.301 0.009 0.466 133 E N -0.289 119.874 120.200 -0.063 0.000 2.047 133 E HA -0.219 4.103 4.350 -0.045 0.000 0.191 133 E C 2.140 178.613 176.600 -0.212 0.000 0.987 133 E CA 2.591 58.930 56.400 -0.102 0.000 0.799 133 E CB 0.152 29.825 29.700 -0.045 0.000 0.752 133 E HN -0.801 7.440 8.360 -0.025 0.105 0.449 134 I N -6.814 113.517 120.570 -0.399 0.000 2.617 134 I HA -0.120 3.870 4.170 -0.299 0.000 0.256 134 I C 0.142 176.057 176.117 -0.338 0.000 1.167 134 I CA 2.236 63.298 61.300 -0.398 0.000 1.469 134 I CB 1.109 38.788 38.000 -0.534 0.000 1.098 134 I HN -0.337 7.584 8.210 -0.481 0.000 0.436 135 L N -0.673 120.306 121.223 -0.408 0.000 2.594 135 L HA 0.617 4.797 4.340 -0.267 0.000 0.245 135 L C -1.563 175.182 176.870 -0.207 0.000 1.460 135 L CA -2.815 51.806 54.840 -0.364 0.000 0.865 135 L CB 0.907 42.596 42.059 -0.617 0.000 1.131 135 L HN -0.509 7.457 8.230 -0.440 0.000 0.506 136 P HA -0.031 4.476 4.420 -0.021 -0.100 0.226 136 P C 0.186 177.475 177.300 -0.018 0.000 1.153 136 P CA 1.264 64.337 63.100 -0.045 0.000 0.777 136 P CB 0.264 31.942 31.700 -0.036 0.000 0.794 137 R N -2.699 117.776 120.500 -0.041 0.000 2.297 137 R HA 0.065 4.402 4.340 -0.005 0.000 0.197 137 R C -0.089 176.201 176.300 -0.016 0.000 0.943 137 R CA -0.090 55.995 56.100 -0.025 0.000 1.038 137 R CB -0.154 30.119 30.300 -0.044 0.000 0.957 137 R HN 0.026 8.207 8.270 -0.070 0.048 0.484 138 V N 0.912 120.828 119.914 0.003 0.000 2.509 138 V HA -0.050 4.063 4.120 -0.012 0.000 0.284 138 V C -1.277 174.914 176.094 0.161 0.000 1.047 138 V CA -0.669 61.665 62.300 0.057 0.000 0.952 138 V CB 1.488 33.375 31.823 0.107 0.000 0.988 138 V HN -0.678 7.451 8.190 -0.010 0.055 0.469 139 D N 4.752 125.241 120.400 0.149 0.000 2.349 139 D HA -0.048 4.683 4.640 0.152 0.000 0.266 139 D C 0.570 177.002 176.300 0.219 0.000 1.293 139 D CA 0.379 54.481 54.000 0.170 0.000 0.926 139 D CB 0.427 41.319 40.800 0.153 0.000 1.090 139 D HN 0.340 8.778 8.370 0.113 0.000 0.502 140 S N 6.907 122.757 115.700 0.249 0.000 2.453 140 S HA -0.272 4.377 4.470 0.299 0.000 0.231 140 S C 1.767 176.521 174.600 0.257 0.000 1.005 140 S CA 2.623 61.000 58.200 0.295 0.000 0.949 140 S CB 0.130 63.529 63.200 0.331 0.000 0.774 140 S HN 0.229 8.672 8.310 0.222 0.000 0.510 141 S N 3.216 119.019 115.700 0.171 0.000 2.355 141 S HA -0.297 4.260 4.470 0.146 0.000 0.222 141 S C 1.940 176.603 174.600 0.105 0.000 1.031 141 S CA 3.378 61.658 58.200 0.132 0.000 0.993 141 S CB -0.128 63.123 63.200 0.083 0.000 0.859 141 S HN -0.324 8.313 8.310 0.153 -0.235 0.453 142 E N 1.316 121.568 120.200 0.087 0.000 2.110 142 E HA -0.287 4.004 4.350 -0.097 0.000 0.193 142 E C 2.442 179.015 176.600 -0.045 0.000 0.988 142 E CA 2.568 58.961 56.400 -0.012 0.000 0.804 142 E CB -0.500 29.257 29.700 0.095 0.000 0.745 142 E HN -0.258 8.674 8.360 0.118 -0.501 0.458 143 M N -0.814 118.844 119.600 0.097 0.000 2.067 143 M HA -0.321 4.187 4.480 0.047 0.000 0.260 143 M C 2.331 178.573 176.300 -0.097 0.000 1.069 143 M CA 2.801 58.056 55.300 -0.075 0.000 1.117 143 M CB -0.461 31.910 32.600 -0.381 0.000 1.334 143 M HN -0.706 7.666 8.290 0.138 0.000 0.407 144 Y N -2.724 117.634 120.300 0.098 0.000 2.395 144 Y HA -0.188 4.548 4.550 0.311 0.000 0.293 144 Y C 2.517 178.453 175.900 0.060 0.000 1.123 144 Y CA 2.982 61.168 58.100 0.144 0.000 1.227 144 Y CB -0.154 38.337 38.460 0.050 0.000 1.012 144 Y HN -0.160 8.305 8.280 0.309 0.000 0.552 145 D N -2.516 117.944 120.400 0.101 0.000 2.271 145 D HA 0.012 4.685 4.640 0.054 0.000 0.206 145 D C 0.447 176.710 176.300 -0.063 0.000 0.967 145 D CA 2.452 56.465 54.000 0.022 0.000 0.867 145 D CB 0.527 41.325 40.800 -0.002 0.000 0.960 145 D HN -0.145 8.280 8.370 0.093 0.000 0.509 146 R N -2.219 118.173 120.500 -0.181 0.000 2.610 146 R HA 0.117 4.337 4.340 -0.200 0.000 0.171 146 R C 1.586 177.716 176.300 -0.282 0.000 0.892 146 R CA 1.421 57.326 56.100 -0.324 0.000 1.086 146 R CB 1.779 31.700 30.300 -0.632 0.000 1.320 146 R HN -0.500 7.660 8.270 -0.184 0.000 0.582 147 Y N -0.837 119.406 120.300 -0.096 0.000 2.243 147 Y HA -0.221 4.271 4.550 -0.097 0.000 0.293 147 Y C 2.293 178.081 175.900 -0.187 0.000 1.124 147 Y CA 2.666 60.666 58.100 -0.167 0.000 1.159 147 Y CB -0.043 38.249 38.460 -0.280 0.000 1.008 147 Y HN -0.413 7.592 8.280 -0.459 0.000 0.527 148 F N -1.748 118.169 119.950 -0.056 0.000 2.102 148 F HA -0.108 4.366 4.527 -0.088 0.000 0.298 148 F C -0.535 175.243 175.800 -0.036 0.000 1.105 148 F CA 4.815 62.745 58.000 -0.116 0.000 1.239 148 F CB -3.258 35.558 39.000 -0.307 0.000 0.991 148 F HN 0.352 8.591 8.300 -0.101 0.000 0.474 149 P HA -0.274 4.212 4.420 0.111 0.000 0.217 149 P C 1.407 178.762 177.300 0.091 0.000 1.150 149 P CA 2.820 65.980 63.100 0.101 0.000 0.832 149 P CB -0.327 31.408 31.700 0.058 0.000 0.787 150 R N -1.307 119.241 120.500 0.080 0.000 2.073 150 R HA -0.351 4.026 4.340 0.061 0.000 0.234 150 R C 2.058 178.437 176.300 0.132 0.000 1.134 150 R CA 3.356 59.508 56.100 0.087 0.000 0.952 150 R CB -0.154 30.206 30.300 0.100 0.000 0.850 150 R HN -0.371 7.937 8.270 0.065 0.000 0.433 151 A N -1.091 121.831 122.820 0.170 0.000 1.877 151 A HA -0.205 4.313 4.320 0.330 0.000 0.216 151 A C 2.257 179.975 177.584 0.223 0.000 1.186 151 A CA 2.907 55.088 52.037 0.240 0.000 0.620 151 A CB -0.670 18.449 19.000 0.199 0.000 0.822 151 A HN 0.038 8.278 8.150 0.149 0.000 0.443 152 N N -2.120 116.688 118.700 0.180 0.000 2.104 152 N HA -0.341 4.500 4.740 0.168 0.000 0.190 152 N C 2.425 178.003 175.510 0.113 0.000 1.024 152 N CA 2.930 56.070 53.050 0.150 0.000 0.853 152 N CB -0.530 38.033 38.487 0.127 0.000 1.008 152 N HN -0.158 8.329 8.380 0.178 0.000 0.424 153 S N 0.526 116.277 115.700 0.086 0.000 2.355 153 S HA -0.211 4.286 4.470 0.046 0.000 0.222 153 S C 2.315 176.915 174.600 0.001 0.000 1.031 153 S CA 3.321 61.546 58.200 0.042 0.000 0.993 153 S CB -0.317 62.899 63.200 0.026 0.000 0.859 153 S HN -0.287 8.079 8.310 0.092 0.000 0.453 154 M N 3.533 123.117 119.600 -0.026 0.000 2.229 154 M HA -0.177 4.170 4.480 -0.222 0.000 0.264 154 M C 1.140 177.351 176.300 -0.148 0.000 1.063 154 M CA 1.964 57.139 55.300 -0.209 0.000 1.114 154 M CB -0.097 32.204 32.600 -0.498 0.000 1.387 154 M HN -0.463 7.841 8.290 0.023 0.000 0.420 155 L N -6.565 114.712 121.223 0.090 0.000 2.465 155 L HA -0.164 4.297 4.340 0.202 0.000 0.224 155 L C -0.154 176.767 176.870 0.084 0.000 1.145 155 L CA 0.522 55.470 54.840 0.179 0.000 0.834 155 L CB 0.096 42.345 42.059 0.316 0.000 0.944 155 L HN -0.418 7.880 8.230 0.145 0.019 0.451 156 R N -6.719 113.805 120.500 0.041 0.000 3.527 156 R HA -0.384 3.964 4.340 0.012 0.000 0.288 156 R C -0.648 175.674 176.300 0.036 0.000 1.146 156 R CA 0.056 56.167 56.100 0.018 0.000 0.778 156 R CB -3.109 27.180 30.300 -0.018 0.000 1.289 156 R HN -0.671 7.444 8.270 0.034 0.175 0.454 157 V N -1.404 118.546 119.914 0.060 0.000 2.673 157 V HA -0.254 4.063 4.120 0.039 -0.173 0.303 157 V C 0.206 176.282 176.094 -0.030 0.000 1.046 157 V CA 1.258 63.573 62.300 0.026 0.000 1.126 157 V CB -0.466 31.375 31.823 0.030 0.000 0.934 157 V HN -0.560 7.677 8.190 0.079 0.000 0.487 158 N N 6.686 125.336 118.700 -0.084 0.000 2.853 158 N HA 0.254 4.967 4.740 -0.046 0.000 0.258 158 N C -2.311 173.111 175.510 -0.148 0.000 1.444 158 N CA -0.676 52.346 53.050 -0.046 0.000 0.837 158 N CB 3.331 41.890 38.487 0.119 0.000 1.489 158 N HN 0.618 8.962 8.380 -0.060 0.000 0.529 159 H N -1.850 117.367 119.070 0.245 0.000 2.600 159 H HA 0.305 4.913 4.556 0.087 0.000 0.357 159 H C -0.808 174.423 175.328 -0.163 0.000 1.106 159 H CA -0.746 55.337 56.048 0.058 0.000 1.193 159 H CB 3.066 32.797 29.762 -0.052 0.000 1.594 159 H HN 0.054 8.497 8.280 0.272 0.000 0.526 160 I N 2.950 123.126 120.570 -0.658 0.000 2.754 160 I HA -0.078 3.563 4.170 -0.882 0.000 0.285 160 I C -0.648 175.226 176.117 -0.405 0.000 1.166 160 I CA -0.045 60.702 61.300 -0.922 0.000 1.417 160 I CB 1.445 38.670 38.000 -1.291 0.000 1.382 160 I HN 0.051 7.848 8.210 -0.688 0.000 0.588 161 D N 6.728 127.043 120.400 -0.142 0.000 2.371 161 D HA -0.002 4.584 4.640 -0.091 0.000 0.256 161 D C 0.823 177.115 176.300 -0.013 0.000 1.193 161 D CA 0.465 54.443 54.000 -0.036 0.000 0.881 161 D CB 1.284 42.135 40.800 0.086 0.000 1.143 161 D HN 0.276 8.605 8.370 -0.068 0.000 0.473 162 T N 3.891 118.366 114.554 -0.131 0.000 2.867 162 T HA -0.315 3.924 4.350 -0.184 0.000 0.268 162 T C 1.657 176.438 174.700 0.134 0.000 1.057 162 T CA 2.811 64.855 62.100 -0.094 0.000 1.136 162 T CB 0.182 68.964 68.868 -0.142 0.000 0.874 162 T HN 0.354 8.501 8.240 -0.155 0.000 0.466 163 K N 2.670 123.143 120.400 0.120 0.000 2.057 163 K HA -0.262 4.130 4.320 0.119 0.000 0.206 163 K C 1.390 178.102 176.600 0.186 0.000 1.050 163 K CA 2.956 59.327 56.287 0.139 0.000 0.935 163 K CB -0.301 32.268 32.500 0.114 0.000 0.715 163 K HN -0.640 7.756 8.250 0.085 -0.095 0.439 164 W N 0.760 122.103 121.300 0.072 0.000 2.355 164 W HA -0.364 4.350 4.660 0.089 0.000 0.309 164 W C 1.243 177.848 176.519 0.143 0.000 1.206 164 W CA 4.186 61.592 57.345 0.101 0.000 1.284 164 W CB -0.045 29.476 29.460 0.102 0.000 1.145 164 W HN -0.239 8.479 8.180 0.365 -0.319 0.502 165 F N -0.568 119.369 119.950 -0.021 0.000 2.091 165 F HA -0.636 3.675 4.527 -0.360 0.000 0.299 165 F C 1.417 177.127 175.800 -0.149 0.000 1.103 165 F CA 4.129 62.016 58.000 -0.188 0.000 1.228 165 F CB 0.161 39.105 39.000 -0.092 0.000 0.984 165 F HN -0.145 8.406 8.300 0.419 0.000 0.477 166 E N -3.010 117.152 120.200 -0.063 0.000 2.150 166 E HA -0.313 3.902 4.350 -0.226 0.000 0.193 166 E C 1.180 177.650 176.600 -0.217 0.000 0.985 166 E CA 2.556 58.879 56.400 -0.129 0.000 0.814 166 E CB -0.376 29.362 29.700 0.064 0.000 0.752 166 E HN -0.443 7.991 8.360 0.143 0.012 0.466 167 D N -3.516 116.763 120.400 -0.202 0.000 2.301 167 D HA 0.114 4.679 4.640 -0.125 0.000 0.206 167 D C 0.409 176.565 176.300 -0.240 0.000 0.979 167 D CA 1.382 55.283 54.000 -0.165 0.000 0.874 167 D CB 0.991 41.752 40.800 -0.066 0.000 0.968 167 D HN -0.579 7.540 8.370 -0.189 0.138 0.510 168 T N 1.068 115.366 114.554 -0.427 0.000 2.897 168 T HA 0.105 4.312 4.350 -0.239 0.000 0.294 168 T C 1.463 175.996 174.700 -0.280 0.000 1.004 168 T CA -1.282 60.583 62.100 -0.391 0.000 1.106 168 T CB 1.201 69.572 68.868 -0.828 0.000 0.949 168 T HN -0.527 7.385 8.240 -0.546 0.000 0.520 169 E N 7.757 127.817 120.200 -0.232 0.000 2.209 169 E HA -0.211 3.986 4.350 -0.256 0.000 0.196 169 E C 1.377 177.774 176.600 -0.340 0.000 0.993 169 E CA 2.406 58.615 56.400 -0.318 0.000 0.819 169 E CB -0.805 28.650 29.700 -0.409 0.000 0.745 169 E HN 0.657 8.910 8.360 -0.178 0.000 0.477 170 W N -1.350 119.842 121.300 -0.180 0.000 2.699 170 W HA -0.091 4.694 4.660 -0.108 -0.190 0.249 170 W C 0.963 177.266 176.519 -0.361 0.000 1.280 170 W CA 1.627 58.846 57.345 -0.210 0.000 1.345 170 W CB 0.415 29.764 29.460 -0.186 0.000 1.128 170 W HN -0.633 7.465 8.180 -0.056 0.048 0.642 171 Y N -4.020 116.259 120.300 -0.034 0.000 2.682 171 Y HA 0.088 4.571 4.550 -0.113 0.000 0.251 171 Y C -0.014 175.620 175.900 -0.443 0.000 1.172 171 Y CA -0.173 57.764 58.100 -0.271 0.000 1.186 171 Y CB 0.036 38.196 38.460 -0.499 0.000 1.216 171 Y HN -0.483 7.662 8.280 -0.124 0.060 0.540 172 K N 3.115 123.416 120.400 -0.165 0.000 2.074 172 K HA -0.471 3.723 4.320 -0.211 0.000 0.209 172 K C 1.146 177.672 176.600 -0.123 0.000 1.048 172 K CA 4.366 60.556 56.287 -0.162 0.000 0.926 172 K CB -0.336 32.083 32.500 -0.135 0.000 0.713 172 K HN -0.636 7.425 8.250 -0.135 0.107 0.444 173 F N -5.357 114.538 119.950 -0.091 0.000 2.161 173 F HA -0.314 4.154 4.527 -0.100 0.000 0.300 173 F C 1.226 177.040 175.800 0.023 0.000 1.089 173 F CA 2.230 60.189 58.000 -0.069 0.000 1.282 173 F CB -1.448 37.491 39.000 -0.102 0.000 1.010 173 F HN -0.315 8.100 8.300 0.223 0.018 0.485 174 A N 0.682 122.955 122.820 -0.912 0.000 1.897 174 A HA -0.318 3.777 4.320 -0.376 0.000 0.215 174 A C 1.798 179.313 177.584 -0.115 0.000 1.181 174 A CA 2.698 54.437 52.037 -0.497 0.000 0.620 174 A CB -0.458 18.332 19.000 -0.350 0.000 0.821 174 A HN -0.527 6.768 8.150 -1.224 0.120 0.443 175 R N -2.205 118.207 120.500 -0.147 0.000 2.092 175 R HA -0.320 4.030 4.340 0.017 0.000 0.231 175 R C 2.282 178.572 176.300 -0.015 0.000 1.119 175 R CA 3.335 59.399 56.100 -0.061 0.000 0.970 175 R CB -0.119 30.092 30.300 -0.148 0.000 0.864 175 R HN -0.624 7.488 8.270 -0.263 0.000 0.440 176 V N 0.178 120.081 119.914 -0.020 0.000 2.295 176 V HA -0.416 3.726 4.120 0.038 0.000 0.246 176 V C 1.673 177.809 176.094 0.071 0.000 1.049 176 V CA 4.027 66.345 62.300 0.030 0.000 1.024 176 V CB -0.731 31.106 31.823 0.024 0.000 0.648 176 V HN -0.054 8.103 8.190 -0.056 0.000 0.447 177 S N -0.397 115.360 115.700 0.094 0.000 2.402 177 S HA -0.321 4.274 4.470 0.209 0.000 0.229 177 S C 1.717 176.402 174.600 0.141 0.000 1.021 177 S CA 3.597 61.908 58.200 0.184 0.000 0.974 177 S CB -0.135 63.249 63.200 0.307 0.000 0.800 177 S HN -0.698 7.650 8.310 0.064 0.000 0.484 178 R N 1.787 122.338 120.500 0.085 0.000 2.091 178 R HA -0.428 3.937 4.340 0.041 0.000 0.238 178 R C 1.685 178.011 176.300 0.044 0.000 1.136 178 R CA 3.748 59.876 56.100 0.047 0.000 0.959 178 R CB -0.179 30.134 30.300 0.021 0.000 0.856 178 R HN -0.216 8.095 8.270 0.070 0.000 0.437 179 E N -0.999 119.233 120.200 0.054 0.000 2.072 179 E HA -0.304 4.073 4.350 0.046 0.000 0.191 179 E C 2.516 179.158 176.600 0.069 0.000 0.985 179 E CA 3.161 59.596 56.400 0.058 0.000 0.801 179 E CB -0.352 29.389 29.700 0.068 0.000 0.750 179 E HN -0.482 7.911 8.360 0.055 0.000 0.452 180 Q N -1.623 118.228 119.800 0.084 0.000 2.079 180 Q HA -0.221 4.173 4.340 0.091 0.000 0.200 180 Q C 2.599 178.634 176.000 0.057 0.000 0.974 180 Q CA 2.555 58.409 55.803 0.085 0.000 0.840 180 Q CB -0.186 28.610 28.738 0.097 0.000 0.898 180 Q HN -0.346 7.978 8.270 0.090 0.000 0.430 181 A N -0.998 121.853 122.820 0.052 0.000 1.908 181 A HA -0.349 3.961 4.320 -0.016 0.000 0.218 181 A C 2.058 179.637 177.584 -0.009 0.000 1.181 181 A CA 2.739 54.780 52.037 0.005 0.000 0.627 181 A CB -0.766 18.234 19.000 -0.001 0.000 0.818 181 A HN 0.253 8.450 8.150 0.077 0.000 0.445 182 G N -2.577 106.227 108.800 0.006 0.000 2.432 182 G HA2 -0.341 3.919 3.960 -0.015 0.000 0.219 182 G HA3 -0.341 3.622 3.960 0.005 0.000 0.219 182 G C 1.894 176.797 174.900 0.005 0.000 1.135 182 G CA 1.743 46.842 45.100 -0.001 0.000 0.767 182 G HN -0.110 8.178 8.290 0.020 0.014 0.550 183 K N 0.287 120.700 120.400 0.022 0.000 2.283 183 K HA -0.214 4.121 4.320 0.026 0.000 0.202 183 K C 0.232 176.838 176.600 0.011 0.000 1.048 183 K CA 1.448 57.751 56.287 0.027 0.000 0.948 183 K CB -0.448 32.085 32.500 0.054 0.000 0.742 183 K HN -0.563 7.689 8.250 0.032 0.017 0.458 184 A N -4.129 118.688 122.820 -0.005 0.000 2.345 184 A HA 0.072 4.383 4.320 -0.016 0.000 0.225 184 A C -0.877 176.685 177.584 -0.037 0.000 1.243 184 A CA -0.569 51.454 52.037 -0.024 0.000 0.875 184 A CB 0.627 19.601 19.000 -0.043 0.000 0.929 184 A HN -0.565 7.431 8.150 -0.005 0.150 0.502 185 G N -2.704 106.078 108.800 -0.031 0.000 2.182 185 G HA2 -0.342 3.599 3.960 -0.031 0.000 0.248 185 G HA3 -0.342 3.594 3.960 -0.039 0.000 0.248 185 G C -0.777 174.090 174.900 -0.055 0.000 1.042 185 G CA 0.246 45.324 45.100 -0.038 0.000 0.775 185 G HN -0.415 7.672 8.290 -0.021 0.191 0.501 186 L N -0.371 120.816 121.223 -0.059 0.000 2.356 186 L HA 0.287 4.576 4.340 -0.084 0.000 0.277 186 L C -0.694 176.137 176.870 -0.064 0.000 0.996 186 L CA -1.322 53.472 54.840 -0.077 0.000 0.822 186 L CB 1.418 43.414 42.059 -0.104 0.000 1.256 186 L HN -0.626 7.575 8.230 -0.050 0.000 0.413 187 G N 1.206 109.961 108.800 -0.074 0.000 2.580 187 G HA2 0.205 4.126 3.960 -0.064 0.000 0.278 187 G HA3 0.205 4.117 3.960 -0.079 0.000 0.278 187 G C -1.839 173.004 174.900 -0.095 0.000 1.212 187 G CA -0.854 44.200 45.100 -0.077 0.000 0.939 187 G HN 0.389 8.631 8.290 -0.080 0.000 0.513 188 T N -4.050 110.435 114.554 -0.115 0.000 2.926 188 T HA 0.888 5.281 4.350 -0.101 -0.103 0.289 188 T C -0.735 173.853 174.700 -0.186 0.000 1.054 188 T CA -2.426 59.592 62.100 -0.138 0.000 1.015 188 T CB 3.450 72.224 68.868 -0.157 0.000 1.167 188 T HN -0.263 7.906 8.240 -0.120 0.000 0.526 189 V N -2.874 116.948 119.914 -0.153 0.000 2.735 189 V HA 0.461 4.482 4.120 -0.164 0.000 0.310 189 V C -1.656 174.331 176.094 -0.178 0.000 1.061 189 V CA -2.636 59.592 62.300 -0.119 0.000 0.913 189 V CB 3.135 34.981 31.823 0.038 0.000 1.005 189 V HN 0.480 8.606 8.190 -0.106 0.000 0.428 190 F N 2.997 122.900 119.950 -0.079 0.000 2.471 190 F HA 0.145 4.723 4.527 -0.208 -0.175 0.353 190 F C 0.610 176.400 175.800 -0.016 0.000 1.113 190 F CA 0.553 58.474 58.000 -0.133 0.000 1.262 190 F CB 0.960 39.844 39.000 -0.193 0.000 1.146 190 F HN 0.097 8.357 8.300 -0.067 0.000 0.578 191 V N 5.096 125.130 119.914 0.201 0.000 2.333 191 V HA 0.377 4.568 4.120 0.119 0.000 0.274 191 V C -2.076 174.119 176.094 0.168 0.000 1.028 191 V CA -3.824 58.566 62.300 0.149 0.000 0.851 191 V CB 0.111 32.013 31.823 0.131 0.000 1.000 191 V HN 0.112 8.420 8.190 0.197 0.000 0.456 192 P HA 0.158 4.697 4.420 0.042 -0.094 0.272 192 P C -1.503 175.862 177.300 0.108 0.000 1.240 192 P CA -0.571 62.550 63.100 0.035 0.000 0.791 192 P CB 1.055 32.679 31.700 -0.127 0.000 0.978 193 N N -1.371 117.415 118.700 0.143 0.000 2.708 193 N HA 0.587 5.617 4.740 0.134 -0.210 0.257 193 N C -0.273 175.274 175.510 0.061 0.000 1.373 193 N CA -0.681 52.442 53.050 0.122 0.000 0.843 193 N CB 4.267 42.803 38.487 0.082 0.000 1.503 193 N HN -0.045 8.400 8.380 0.107 0.000 0.504 194 V N -2.310 117.677 119.914 0.121 0.000 3.647 194 V HA 0.334 4.479 4.120 0.042 0.000 0.279 194 V C -0.289 175.785 176.094 -0.032 0.000 1.314 194 V CA -0.784 61.556 62.300 0.067 0.000 1.125 194 V CB -0.495 31.403 31.823 0.125 0.000 0.907 194 V HN 0.167 8.477 8.190 0.201 0.000 0.434 195 Y N 4.019 124.196 120.300 -0.205 0.000 2.442 195 Y HA -0.254 4.327 4.550 -0.198 -0.150 0.330 195 Y C -0.946 174.714 175.900 -0.400 0.000 1.129 195 Y CA 0.921 58.847 58.100 -0.289 0.000 1.365 195 Y CB 0.490 38.762 38.460 -0.314 0.000 1.233 195 Y HN -0.020 8.666 8.280 0.035 -0.385 0.529 196 D N 7.378 127.596 120.400 -0.303 0.000 2.342 196 D HA -0.138 4.583 4.640 -0.069 -0.122 0.260 196 D C 0.465 176.823 176.300 0.097 0.000 1.278 196 D CA -0.471 53.467 54.000 -0.103 0.000 0.910 196 D CB -0.098 40.624 40.800 -0.129 0.000 1.079 196 D HN -0.081 7.931 8.370 -0.596 0.000 0.496 197 F N 6.241 126.302 119.950 0.184 0.000 2.407 197 F HA -0.314 4.349 4.527 0.227 0.000 0.299 197 F C 1.860 177.649 175.800 -0.019 0.000 1.097 197 F CA 3.039 61.122 58.000 0.138 0.000 1.422 197 F CB -0.020 39.045 39.000 0.108 0.000 1.067 197 F HN 0.263 8.992 8.300 0.172 -0.326 0.539 198 G N -1.150 107.741 108.800 0.152 0.000 2.418 198 G HA2 -0.403 3.519 3.960 -0.063 0.000 0.217 198 G HA3 -0.403 3.573 3.960 0.027 0.000 0.217 198 G C 0.407 175.296 174.900 -0.018 0.000 1.158 198 G CA 2.100 47.208 45.100 0.013 0.000 0.771 198 G HN -0.170 8.325 8.290 0.178 -0.098 0.545 199 Y N 3.151 123.424 120.300 -0.044 0.000 2.128 199 Y HA -0.456 4.054 4.550 -0.067 0.000 0.284 199 Y C 1.410 177.294 175.900 -0.026 0.000 1.154 199 Y CA 3.933 62.004 58.100 -0.048 0.000 1.149 199 Y CB 0.301 38.717 38.460 -0.073 0.000 0.976 199 Y HN -0.629 8.061 8.280 0.199 -0.291 0.505 200 M N -0.528 119.200 119.600 0.213 0.000 2.108 200 M HA -0.498 4.322 4.480 0.193 -0.224 0.261 200 M C 2.062 178.197 176.300 -0.275 0.000 1.066 200 M CA 3.738 59.102 55.300 0.106 0.000 1.107 200 M CB -0.045 32.718 32.600 0.273 0.000 1.356 200 M HN -0.361 8.043 8.290 0.313 0.074 0.406 201 Q N -1.117 118.328 119.800 -0.591 0.000 2.084 201 Q HA -0.385 3.156 4.340 -1.331 0.000 0.202 201 Q C 2.471 178.242 176.000 -0.382 0.000 0.978 201 Q CA 3.519 58.795 55.803 -0.878 0.000 0.844 201 Q CB -0.234 27.857 28.738 -1.077 0.000 0.898 201 Q HN -0.342 7.647 8.270 -0.469 0.000 0.426 202 R N -2.035 118.265 120.500 -0.333 0.000 2.115 202 R HA -0.221 4.122 4.340 -0.213 -0.131 0.230 202 R C 2.603 178.725 176.300 -0.296 0.000 1.111 202 R CA 3.152 59.077 56.100 -0.291 0.000 0.976 202 R CB -0.217 29.878 30.300 -0.341 0.000 0.870 202 R HN -0.508 7.481 8.270 -0.340 0.077 0.445 203 E N 0.282 120.272 120.200 -0.350 0.000 2.085 203 E HA -0.227 3.950 4.350 -0.288 0.000 0.194 203 E C 1.965 178.464 176.600 -0.169 0.000 0.994 203 E CA 2.678 58.915 56.400 -0.272 0.000 0.801 203 E CB -0.308 29.257 29.700 -0.224 0.000 0.743 203 E HN -0.158 7.884 8.360 -0.388 0.086 0.453 204 A N -2.361 120.399 122.820 -0.100 0.000 1.969 204 A HA -0.207 4.133 4.320 0.032 0.000 0.218 204 A C 1.256 178.927 177.584 0.145 0.000 1.169 204 A CA 2.156 54.250 52.037 0.095 0.000 0.635 204 A CB -0.229 19.025 19.000 0.423 0.000 0.810 204 A HN -0.613 7.470 8.150 -0.113 0.000 0.445 205 A N -4.174 118.679 122.820 0.055 0.000 2.238 205 A HA 0.002 4.373 4.320 0.085 0.000 0.208 205 A C 0.290 177.875 177.584 0.002 0.000 1.177 205 A CA -0.293 51.768 52.037 0.040 0.000 0.804 205 A CB 0.083 19.085 19.000 0.004 0.000 0.823 205 A HN -0.618 7.417 8.150 -0.003 0.114 0.482 206 G N -1.420 107.367 108.800 -0.022 0.000 2.160 206 G HA2 -0.297 3.641 3.960 -0.037 0.000 0.251 206 G HA3 -0.297 3.657 3.960 -0.010 0.000 0.251 206 G C 0.170 175.032 174.900 -0.064 0.000 1.008 206 G CA 0.904 45.984 45.100 -0.034 0.000 0.724 206 G HN -0.461 7.622 8.290 -0.030 0.189 0.514 207 E N -1.765 118.370 120.200 -0.107 0.000 2.415 207 E HA 0.024 4.324 4.350 -0.084 0.000 0.197 207 E C -0.209 176.296 176.600 -0.158 0.000 1.007 207 E CA 0.741 57.070 56.400 -0.118 0.000 0.890 207 E CB 1.776 31.399 29.700 -0.127 0.000 0.891 207 E HN -0.101 8.158 8.360 -0.129 0.023 0.496 208 V N -5.662 114.113 119.914 -0.231 0.000 3.114 208 V HA 0.523 4.531 4.120 -0.187 0.000 0.308 208 V C -2.877 173.075 176.094 -0.237 0.000 1.168 208 V CA -3.979 58.154 62.300 -0.277 0.000 1.015 208 V CB 1.321 32.816 31.823 -0.548 0.000 1.050 208 V HN -0.776 7.272 8.190 -0.237 0.000 0.433 209 P HA 0.006 4.350 4.420 -0.126 0.000 0.264 209 P C 0.175 177.418 177.300 -0.095 0.000 1.193 209 P CA 0.097 63.066 63.100 -0.218 0.000 0.763 209 P CB 0.029 31.416 31.700 -0.522 0.000 0.810 210 K N 5.073 125.473 120.400 -0.001 0.000 2.202 210 K HA 0.000 4.357 4.320 0.062 0.000 0.264 210 K C -0.348 176.384 176.600 0.219 0.000 1.010 210 K CA 0.052 56.379 56.287 0.067 0.000 0.940 210 K CB 0.582 33.069 32.500 -0.023 0.000 0.983 210 K HN 0.133 nan 8.250 nan 0.000 0.475 211 S N -0.016 115.832 115.700 0.246 0.000 4.403 211 S HA 0.109 4.803 4.470 0.224 -0.090 0.183 211 S C 1.269 175.948 174.600 0.132 0.000 1.070 211 S CA 1.288 59.643 58.200 0.259 0.000 1.145 211 S CB 1.508 64.927 63.200 0.365 0.000 1.585 211 S HN 0.423 9.256 8.310 0.217 -0.392 0.634 212 A N 4.252 127.147 122.820 0.124 0.000 1.948 212 A HA -0.050 4.194 4.320 -0.127 0.000 0.220 212 A C 1.402 178.883 177.584 -0.172 0.000 1.177 212 A CA 2.774 54.724 52.037 -0.145 0.000 0.636 212 A CB 0.044 18.720 19.000 -0.541 0.000 0.815 212 A HN -0.122 8.234 8.150 0.343 0.000 0.449 213 L N -7.100 113.968 121.223 -0.258 0.000 2.685 213 L HA -0.003 3.963 4.340 -0.623 0.000 0.233 213 L C -1.031 175.676 176.870 -0.272 0.000 1.173 213 L CA -0.493 53.982 54.840 -0.608 0.000 0.961 213 L CB -0.837 40.491 42.059 -1.218 0.000 1.217 213 L HN -0.621 7.765 8.230 -0.168 -0.257 0.478 214 A N -2.215 120.573 122.820 -0.054 0.000 2.674 214 A HA 0.384 4.758 4.320 0.089 0.000 0.286 214 A C -0.897 176.723 177.584 0.059 0.000 0.980 214 A CA -1.095 50.972 52.037 0.049 0.000 1.028 214 A CB 0.884 19.925 19.000 0.069 0.000 1.199 214 A HN -0.383 7.534 8.150 -0.048 0.203 0.499 215 T N -4.824 109.754 114.554 0.040 0.000 3.882 215 T HA -0.557 3.784 4.350 -0.014 0.000 0.366 215 T C -1.196 173.503 174.700 -0.002 0.000 0.760 215 T CA 0.571 62.678 62.100 0.013 0.000 1.931 215 T CB -2.061 66.820 68.868 0.022 0.000 1.807 215 T HN -0.221 8.040 8.240 0.035 0.000 0.790 216 E N -0.298 119.896 120.200 -0.010 0.000 2.210 216 E HA 0.452 4.780 4.350 -0.037 0.000 0.266 216 E C -2.423 174.130 176.600 -0.078 0.000 0.883 216 E CA -0.906 55.480 56.400 -0.024 0.000 0.761 216 E CB 3.953 33.677 29.700 0.039 0.000 1.156 216 E HN -0.607 7.748 8.360 -0.007 0.000 0.412 217 V N 3.715 123.533 119.914 -0.160 0.000 4.496 217 V HA 0.189 4.456 4.120 -0.137 -0.230 0.146 217 V C -0.497 175.433 176.094 -0.273 0.000 1.365 217 V CA 1.621 63.817 62.300 -0.174 0.000 1.001 217 V CB 2.545 34.292 31.823 -0.127 0.000 1.083 217 V HN 0.007 8.073 8.190 -0.208 0.000 0.624 218 I N 0.496 120.836 120.570 -0.383 0.000 3.111 218 I HA -0.178 4.026 4.170 -0.324 -0.229 0.272 218 I C -1.498 174.383 176.117 -0.394 0.000 1.268 218 I CA 1.402 62.441 61.300 -0.434 0.000 1.467 218 I CB 0.236 37.922 38.000 -0.523 0.000 1.087 218 I HN -0.711 7.250 8.210 -0.415 0.000 0.467 219 Y N -4.036 116.142 120.300 -0.203 0.000 2.658 219 Y HA 0.062 4.465 4.550 -0.246 0.000 0.276 219 Y C -0.947 174.631 175.900 -0.536 0.000 1.167 219 Y CA -2.690 55.259 58.100 -0.252 0.000 1.230 219 Y CB -0.721 37.674 38.460 -0.108 0.000 1.144 219 Y HN -0.492 7.471 8.280 -0.474 0.032 0.529 220 G N -0.363 108.067 108.800 -0.618 0.000 2.587 220 G HA2 -0.317 3.178 3.960 -1.184 0.000 0.686 220 G HA3 -0.317 2.103 3.960 -2.567 0.000 0.686 220 G C -1.986 172.520 174.900 -0.657 0.000 1.236 220 G CA -0.410 43.912 45.100 -1.297 0.000 0.820 220 G HN -0.660 7.183 8.290 -0.456 0.173 0.645 221 N N 0.999 119.396 118.700 -0.505 0.000 2.407 221 N HA 0.157 5.009 4.740 -0.019 -0.123 0.277 221 N C -0.882 174.684 175.510 0.093 0.000 0.995 221 N CA -0.542 52.460 53.050 -0.080 0.000 0.903 221 N CB 2.273 40.764 38.487 0.008 0.000 1.218 221 N HN 0.217 8.196 8.380 -0.668 0.000 0.487 222 N N 2.011 120.771 118.700 0.100 0.000 2.453 222 N HA -0.137 4.625 4.740 0.036 0.000 0.183 222 N C -0.589 174.522 175.510 -0.665 0.000 1.041 222 N CA 1.925 54.877 53.050 -0.163 0.000 0.900 222 N CB 0.938 39.287 38.487 -0.230 0.000 0.961 222 N HN 0.190 8.976 8.380 0.107 -0.341 0.443 223 H N -3.033 116.033 119.070 -0.006 0.000 3.008 223 H HA 0.136 4.532 4.556 -0.268 0.000 0.354 223 H C -0.042 175.005 175.328 -0.468 0.000 1.252 223 H CA -0.460 55.446 56.048 -0.237 0.000 1.117 223 H CB 3.752 33.415 29.762 -0.166 0.000 1.857 223 H HN -0.870 7.334 8.280 -0.057 0.042 0.547 224 G N 0.830 109.137 108.800 -0.823 0.000 2.550 224 G HA2 -0.445 2.738 3.960 -1.295 0.000 0.233 224 G HA3 -0.445 2.522 3.960 -1.655 0.000 0.233 224 G C -1.028 173.113 174.900 -1.266 0.000 1.170 224 G CA 1.154 45.469 45.100 -1.310 0.000 0.693 224 G HN 0.361 8.149 8.290 -0.836 0.000 0.512 225 K N 3.786 123.691 120.400 -0.825 0.000 2.312 225 K HA 0.034 4.081 4.320 -0.454 0.000 0.287 225 K C -0.688 175.752 176.600 -0.267 0.000 1.062 225 K CA -0.771 55.269 56.287 -0.413 0.000 0.934 225 K CB 0.248 32.697 32.500 -0.084 0.000 1.027 225 K HN -0.561 7.242 8.250 -0.601 0.086 0.478 226 Q N 8.037 127.713 119.800 -0.206 0.000 2.844 226 Q HA 0.184 4.432 4.340 -0.152 0.000 0.235 226 Q C -0.902 175.033 176.000 -0.107 0.000 1.336 226 Q CA -1.654 54.064 55.803 -0.142 0.000 1.026 226 Q CB -1.706 26.963 28.738 -0.115 0.000 1.513 226 Q HN -0.165 7.986 8.270 -0.198 0.000 0.577 227 S N 0.691 116.321 115.700 -0.116 0.000 2.606 227 S HA -0.140 4.231 4.470 -0.166 0.000 0.257 227 S C 0.993 175.514 174.600 -0.131 0.000 1.327 227 S CA -0.364 57.755 58.200 -0.136 0.000 0.984 227 S CB 0.902 64.032 63.200 -0.117 0.000 0.941 227 S HN -0.307 7.879 8.310 -0.117 0.053 0.576 228 L N -0.074 121.028 121.223 -0.202 0.000 2.275 228 L HA -0.067 4.209 4.340 -0.105 0.000 0.215 228 L C 1.696 178.516 176.870 -0.083 0.000 1.119 228 L CA 2.467 57.205 54.840 -0.170 0.000 0.790 228 L CB -0.425 41.430 42.059 -0.341 0.000 0.919 228 L HN 0.127 8.198 8.230 -0.265 0.000 0.443 229 D N -2.122 118.238 120.400 -0.067 0.000 2.182 229 D HA -0.275 4.349 4.640 -0.028 0.000 0.201 229 D C 1.264 177.545 176.300 -0.031 0.000 0.986 229 D CA 2.502 56.486 54.000 -0.028 0.000 0.847 229 D CB -1.172 39.636 40.800 0.012 0.000 0.942 229 D HN 0.503 8.802 8.370 -0.077 0.024 0.467 230 K N -2.792 117.581 120.400 -0.045 0.000 2.262 230 K HA -0.060 4.231 4.320 -0.047 0.000 0.200 230 K C -0.011 176.553 176.600 -0.059 0.000 1.049 230 K CA 2.336 58.591 56.287 -0.053 0.000 0.979 230 K CB 0.593 33.051 32.500 -0.070 0.000 0.773 230 K HN -0.378 7.818 8.250 -0.052 0.023 0.474 231 T N -5.726 108.797 114.554 -0.052 0.000 3.274 231 T HA -0.020 4.270 4.350 -0.101 0.000 0.186 231 T C 0.739 175.396 174.700 -0.072 0.000 0.799 231 T CA 0.731 62.786 62.100 -0.075 0.000 1.611 231 T CB 0.877 69.712 68.868 -0.055 0.000 2.155 231 T HN -0.679 7.417 8.240 -0.043 0.118 0.427 232 Y N 2.374 122.626 120.300 -0.080 0.000 2.165 232 Y HA -0.239 4.275 4.550 -0.061 0.000 0.286 232 Y C 2.010 177.860 175.900 -0.083 0.000 1.155 232 Y CA 3.651 61.705 58.100 -0.077 0.000 1.164 232 Y CB -0.001 38.407 38.460 -0.087 0.000 0.978 232 Y HN -0.206 8.186 8.280 0.187 0.000 0.513 233 L N -2.662 118.600 121.223 0.065 0.000 2.109 233 L HA -0.377 3.968 4.340 0.008 0.000 0.207 233 L C 2.148 179.010 176.870 -0.013 0.000 1.086 233 L CA 2.834 57.677 54.840 0.005 0.000 0.760 233 L CB -0.700 41.345 42.059 -0.024 0.000 0.910 233 L HN 0.190 8.454 8.230 0.057 0.000 0.437 234 A N -0.447 122.359 122.820 -0.023 0.000 1.908 234 A HA -0.370 3.932 4.320 -0.030 0.000 0.218 234 A C 1.903 179.464 177.584 -0.038 0.000 1.181 234 A CA 3.011 55.028 52.037 -0.033 0.000 0.627 234 A CB -1.217 17.758 19.000 -0.041 0.000 0.818 234 A HN -0.353 7.784 8.150 -0.022 0.000 0.445 235 A N -2.607 120.185 122.820 -0.047 0.000 1.898 235 A HA -0.300 3.987 4.320 -0.055 0.000 0.216 235 A C 1.821 179.383 177.584 -0.036 0.000 1.181 235 A CA 2.670 54.674 52.037 -0.055 0.000 0.620 235 A CB -0.619 18.326 19.000 -0.092 0.000 0.819 235 A HN -0.364 7.756 8.150 -0.050 0.000 0.442 236 A N -1.097 121.710 122.820 -0.020 0.000 1.883 236 A HA -0.361 3.943 4.320 -0.026 0.000 0.217 236 A C 1.989 179.554 177.584 -0.033 0.000 1.186 236 A CA 2.804 54.827 52.037 -0.024 0.000 0.624 236 A CB -0.542 18.445 19.000 -0.021 0.000 0.822 236 A HN -0.321 7.749 8.150 -0.009 0.075 0.444 237 L N -2.685 118.519 121.223 -0.032 0.000 2.079 237 L HA -0.245 4.075 4.340 -0.034 0.000 0.210 237 L C 3.301 180.153 176.870 -0.031 0.000 1.081 237 L CA 2.220 57.041 54.840 -0.032 0.000 0.752 237 L CB -0.429 41.612 42.059 -0.031 0.000 0.896 237 L HN 0.030 8.243 8.230 -0.029 0.000 0.433 238 G N -2.746 106.035 108.800 -0.032 0.000 2.509 238 G HA2 -0.208 3.735 3.960 -0.029 0.000 0.218 238 G HA3 -0.208 3.732 3.960 -0.033 0.000 0.218 238 G C 0.205 175.088 174.900 -0.029 0.000 1.124 238 G CA 1.546 46.628 45.100 -0.031 0.000 0.776 238 G HN -0.142 8.013 8.290 -0.033 0.115 0.547 239 T N -2.008 112.527 114.554 -0.031 0.000 3.035 239 T HA -0.162 4.172 4.350 -0.028 0.000 0.268 239 T C 1.273 175.958 174.700 -0.025 0.000 1.109 239 T CA 0.415 62.498 62.100 -0.029 0.000 1.119 239 T CB 0.401 69.249 68.868 -0.033 0.000 0.900 239 T HN -0.693 7.367 8.240 -0.032 0.161 0.503 240 G N 1.108 109.893 108.800 -0.025 0.000 2.179 240 G HA2 -0.313 3.634 3.960 -0.022 0.000 0.260 240 G HA3 -0.313 3.635 3.960 -0.019 0.000 0.260 240 G C 0.415 175.302 174.900 -0.022 0.000 0.977 240 G CA 0.815 45.902 45.100 -0.022 0.000 0.641 240 G HN -0.349 7.873 8.290 -0.027 0.052 0.533 241 K N -2.578 117.806 120.400 -0.026 0.000 2.413 241 K HA 0.281 4.739 4.320 -0.022 -0.151 0.204 241 K C -1.948 174.630 176.600 -0.036 0.000 1.041 241 K CA -0.461 55.810 56.287 -0.027 0.000 1.082 241 K CB 1.679 34.164 32.500 -0.026 0.000 0.871 241 K HN -0.344 7.823 8.250 -0.029 0.066 0.535 242 V N -0.785 119.106 119.914 -0.040 0.000 2.638 242 V HA 0.907 5.213 4.120 -0.051 -0.217 0.306 242 V C -0.496 175.571 176.094 -0.046 0.000 1.052 242 V CA -2.056 60.215 62.300 -0.048 0.000 0.885 242 V CB 2.479 34.270 31.823 -0.053 0.000 0.999 242 V HN -0.623 7.546 8.190 -0.036 0.000 0.424 243 T N 8.128 122.651 114.554 -0.052 0.000 2.908 243 T HA 0.468 4.788 4.350 -0.050 0.000 0.290 243 T C -1.812 172.849 174.700 -0.066 0.000 1.034 243 T CA -1.387 60.680 62.100 -0.056 0.000 1.010 243 T CB 2.217 71.050 68.868 -0.059 0.000 1.068 243 T HN 0.323 8.530 8.240 -0.054 0.000 0.481 244 I N 2.993 123.522 120.570 -0.069 0.000 2.447 244 I HA 0.361 4.666 4.170 -0.079 -0.182 0.287 244 I C -0.979 175.077 176.117 -0.103 0.000 1.023 244 I CA -1.066 60.189 61.300 -0.075 0.000 1.083 244 I CB 2.136 40.105 38.000 -0.052 0.000 1.245 244 I HN 0.263 8.435 8.210 -0.063 0.000 0.434 245 Q N 8.265 127.968 119.800 -0.162 0.000 2.307 245 Q HA 0.433 4.651 4.340 -0.204 0.000 0.262 245 Q C -1.020 174.891 176.000 -0.148 0.000 0.961 245 Q CA -1.464 54.172 55.803 -0.279 0.000 0.882 245 Q CB 2.792 31.122 28.738 -0.680 0.000 1.264 245 Q HN 0.553 8.729 8.270 -0.156 0.000 0.446 246 T N -1.177 113.377 114.554 0.001 0.000 2.936 246 T HA 0.626 5.187 4.350 0.083 -0.160 0.282 246 T C 0.803 175.654 174.700 0.251 0.000 1.003 246 T CA -2.865 59.293 62.100 0.098 0.000 1.005 246 T CB 2.361 71.247 68.868 0.030 0.000 1.097 246 T HN 0.333 8.568 8.240 -0.008 0.000 0.532 247 L N -2.302 119.029 121.223 0.181 0.000 3.839 247 L HA -0.461 4.238 4.340 0.184 -0.248 0.416 247 L C -1.720 175.225 176.870 0.124 0.000 1.195 247 L CA 0.952 55.886 54.840 0.157 0.000 0.946 247 L CB -2.521 39.581 42.059 0.071 0.000 1.891 247 L HN 0.474 8.792 8.230 0.147 0.000 0.963 248 H N -1.400 117.699 119.070 0.048 0.000 2.638 248 H HA 0.673 5.454 4.556 0.032 -0.207 0.317 248 H C -0.892 174.459 175.328 0.039 0.000 1.006 248 H CA -1.075 54.994 56.048 0.034 0.000 1.222 248 H CB 1.194 30.967 29.762 0.018 0.000 1.419 248 H HN -0.430 7.987 8.280 0.292 0.037 0.489 249 Q N 5.299 125.162 119.800 0.106 0.000 2.325 249 Q HA 0.346 4.735 4.340 0.083 0.000 0.262 249 Q C -1.769 174.266 176.000 0.059 0.000 0.968 249 Q CA -1.821 54.031 55.803 0.081 0.000 0.877 249 Q CB 2.276 31.060 28.738 0.077 0.000 1.253 249 Q HN 0.505 8.808 8.270 0.055 0.000 0.448 250 V N 9.109 129.053 119.914 0.050 0.000 2.521 250 V HA -0.145 4.143 4.120 0.039 -0.144 0.286 250 V C 0.005 176.111 176.094 0.020 0.000 1.034 250 V CA 1.188 63.508 62.300 0.033 0.000 1.045 250 V CB -0.453 31.383 31.823 0.022 0.000 0.974 250 V HN 0.650 8.870 8.190 0.049 0.000 0.480 251 K N 5.214 125.623 120.400 0.016 0.000 2.262 251 K HA 0.283 4.613 4.320 0.016 0.000 0.200 251 K C -0.332 176.269 176.600 0.002 0.000 1.058 251 K CA 0.423 56.718 56.287 0.013 0.000 0.974 251 K CB 2.292 34.801 32.500 0.016 0.000 0.910 251 K HN 0.652 8.914 8.250 0.019 0.000 0.484 252 T N -6.092 108.461 114.554 -0.003 0.000 2.903 252 T HA 0.293 4.624 4.350 -0.031 0.000 0.299 252 T C -2.307 172.382 174.700 -0.018 0.000 1.093 252 T CA -1.378 60.712 62.100 -0.017 0.000 1.002 252 T CB 2.346 71.208 68.868 -0.011 0.000 1.127 252 T HN -0.714 7.528 8.240 0.004 0.000 0.488 253 I N 1.422 121.969 120.570 -0.038 0.000 2.498 253 I HA 0.659 4.985 4.170 -0.003 -0.158 0.290 253 I C -1.738 174.364 176.117 -0.025 0.000 1.032 253 I CA -1.068 60.212 61.300 -0.033 0.000 1.073 253 I CB 3.190 41.136 38.000 -0.091 0.000 1.251 253 I HN 0.741 8.919 8.210 -0.054 0.000 0.426 254 R N 3.868 124.383 120.500 0.026 0.000 2.867 254 R HA 0.745 5.248 4.340 -0.006 -0.166 0.268 254 R C -2.020 174.314 176.300 0.057 0.000 1.014 254 R CA -2.563 53.548 56.100 0.019 0.000 0.946 254 R CB 4.061 34.363 30.300 0.002 0.000 1.208 254 R HN 0.721 9.021 8.270 0.050 0.000 0.477 255 Q N 2.264 122.060 119.800 -0.007 0.000 2.274 255 Q HA 0.573 4.982 4.340 -0.393 -0.305 0.256 255 Q C 0.408 176.323 176.000 -0.142 0.000 0.927 255 Q CA -1.061 54.643 55.803 -0.165 0.000 0.939 255 Q CB 2.105 30.797 28.738 -0.077 0.000 1.201 255 Q HN 0.167 8.440 8.270 0.005 0.000 0.426 256 T N 2.688 117.117 114.554 -0.208 0.000 2.766 256 T HA 0.076 4.374 4.350 -0.087 0.000 0.295 256 T C 1.439 176.068 174.700 -0.118 0.000 1.024 256 T CA -0.312 61.710 62.100 -0.131 0.000 1.018 256 T CB 1.477 70.269 68.868 -0.126 0.000 1.002 256 T HN 0.519 8.444 8.240 -0.336 0.114 0.532 257 K N 1.062 121.413 120.400 -0.081 0.000 2.283 257 K HA -0.214 4.072 4.320 -0.057 0.000 0.202 257 K C -0.304 176.251 176.600 -0.075 0.000 1.048 257 K CA 2.259 58.507 56.287 -0.065 0.000 0.948 257 K CB -0.231 32.240 32.500 -0.048 0.000 0.742 257 K HN 0.462 8.669 8.250 -0.072 0.000 0.458 258 D N -5.537 114.806 120.400 -0.095 0.000 2.368 258 D HA -0.009 4.584 4.640 -0.078 0.000 0.218 258 D C 0.403 176.630 176.300 -0.122 0.000 1.112 258 D CA -0.619 53.324 54.000 -0.095 0.000 0.834 258 D CB -0.317 40.428 40.800 -0.092 0.000 0.953 258 D HN -0.645 7.557 8.370 -0.103 0.106 0.505 259 G N -0.457 108.243 108.800 -0.166 0.000 2.157 259 G HA2 -0.358 3.470 3.960 -0.219 0.000 0.239 259 G HA3 -0.358 3.510 3.960 -0.153 0.000 0.239 259 G C -0.486 174.191 174.900 -0.371 0.000 0.982 259 G CA 0.212 45.181 45.100 -0.218 0.000 0.650 259 G HN -0.136 7.878 8.290 -0.166 0.177 0.527 260 G N -0.582 107.997 108.800 -0.370 0.000 2.525 260 G HA2 0.301 4.035 3.960 -0.377 0.000 0.287 260 G HA3 0.301 4.129 3.960 -0.220 0.000 0.287 260 G C -2.113 172.328 174.900 -0.765 0.000 1.350 260 G CA -1.132 43.718 45.100 -0.416 0.000 1.039 260 G HN -0.572 7.499 8.290 -0.271 0.057 0.513 261 Y N -3.422 116.863 120.300 -0.025 0.000 2.499 261 Y HA 0.682 5.363 4.550 -0.052 -0.162 0.347 261 Y C -1.805 174.090 175.900 -0.009 0.000 0.987 261 Y CA -1.453 56.623 58.100 -0.040 0.000 1.044 261 Y CB 4.420 42.837 38.460 -0.073 0.000 1.245 261 Y HN -0.175 8.104 8.280 -0.002 0.000 0.461 262 A N -0.298 122.589 122.820 0.111 0.000 2.371 262 A HA 0.906 5.438 4.320 0.084 -0.161 0.311 262 A C -2.464 175.159 177.584 0.065 0.000 1.068 262 A CA -2.102 49.979 52.037 0.074 0.000 0.744 262 A CB 3.519 22.540 19.000 0.035 0.000 1.239 262 A HN 0.815 9.032 8.150 0.112 0.000 0.435 263 L N 1.694 122.950 121.223 0.055 0.000 2.362 263 L HA 0.834 5.413 4.340 0.030 -0.221 0.271 263 L C 1.366 178.257 176.870 0.035 0.000 1.002 263 L CA -1.583 53.281 54.840 0.040 0.000 0.818 263 L CB 2.836 44.920 42.059 0.043 0.000 1.298 263 L HN 0.541 8.806 8.230 0.060 0.000 0.420 264 T N 3.524 118.093 114.554 0.025 0.000 2.799 264 T HA 0.672 4.638 4.350 -0.640 0.000 0.286 264 T C -1.481 173.236 174.700 0.028 0.000 0.973 264 T CA -0.819 61.295 62.100 0.024 0.000 1.035 264 T CB 0.626 69.503 68.868 0.015 0.000 0.932 264 T HN 0.129 nan 8.240 nan 0.000 0.469 265 V N 4.599 124.534 119.914 0.035 0.000 2.525 265 V HA 0.506 4.826 4.120 0.045 -0.173 0.299 265 V C -1.402 174.696 176.094 0.007 0.000 1.034 265 V CA -1.605 60.724 62.300 0.048 0.000 0.863 265 V CB 2.080 33.966 31.823 0.105 0.000 0.999 265 V HN 0.485 8.694 8.190 0.032 0.000 0.423 266 E N 6.862 127.051 120.200 -0.018 0.000 2.197 266 E HA 0.420 4.874 4.350 -0.072 -0.147 0.281 266 E C -1.567 174.935 176.600 -0.165 0.000 0.995 266 E CA -1.227 55.131 56.400 -0.069 0.000 0.808 266 E CB 2.060 31.734 29.700 -0.044 0.000 1.093 266 E HN 0.458 8.820 8.360 0.002 0.000 0.394 267 Q N 6.616 126.261 119.800 -0.258 0.000 2.290 267 Q HA 0.783 5.047 4.340 -0.510 -0.230 0.259 267 Q C -1.243 174.639 176.000 -0.197 0.000 0.941 267 Q CA -1.178 54.383 55.803 -0.403 0.000 0.912 267 Q CB 2.695 31.113 28.738 -0.534 0.000 1.244 267 Q HN 0.464 8.615 8.270 -0.198 0.000 0.441 268 K N 7.056 127.372 120.400 -0.139 0.000 2.350 268 K HA 0.856 5.295 4.320 -0.088 -0.172 0.241 268 K C -0.765 175.800 176.600 -0.059 0.000 0.994 268 K CA -1.809 54.427 56.287 -0.085 0.000 0.839 268 K CB 3.793 36.248 32.500 -0.075 0.000 1.244 268 K HN 0.043 8.208 8.250 -0.142 0.000 0.443 269 D N -0.749 119.623 120.400 -0.046 0.000 2.466 269 D HA 0.203 4.819 4.640 -0.039 0.000 0.262 269 D C 1.707 177.986 176.300 -0.036 0.000 1.177 269 D CA -1.397 52.582 54.000 -0.035 0.000 1.035 269 D CB 0.965 41.751 40.800 -0.023 0.000 1.105 269 D HN 0.123 8.464 8.370 -0.049 0.000 0.551 270 T N -7.530 106.982 114.554 -0.071 0.000 3.072 270 T HA -0.235 3.964 4.350 -0.252 0.000 0.266 270 T C 0.287 174.918 174.700 -0.115 0.000 1.127 270 T CA 2.323 64.301 62.100 -0.203 0.000 1.107 270 T CB -0.251 68.438 68.868 -0.298 0.000 0.910 270 T HN 0.109 8.316 8.240 -0.056 0.000 0.513 271 D N 0.958 121.386 120.400 0.047 0.000 2.340 271 D HA 0.033 4.775 4.640 0.170 0.000 0.220 271 D C 1.000 177.428 176.300 0.213 0.000 1.039 271 D CA 0.611 54.695 54.000 0.141 0.000 0.866 271 D CB 0.004 40.857 40.800 0.089 0.000 0.913 271 D HN -0.574 7.946 8.370 0.029 -0.132 0.523 272 G N -1.044 107.828 108.800 0.120 0.000 2.176 272 G HA2 -0.483 3.307 3.960 -0.284 0.000 0.253 272 G HA3 -0.483 3.271 3.960 -0.344 0.000 0.253 272 G C -0.529 174.285 174.900 -0.144 0.000 0.979 272 G CA 0.054 45.050 45.100 -0.172 0.000 0.641 272 G HN -0.245 7.976 8.290 0.107 0.133 0.530 273 K N 0.813 121.175 120.400 -0.063 0.000 2.298 273 K HA -0.053 4.226 4.320 -0.069 0.000 0.280 273 K C -0.721 175.837 176.600 -0.070 0.000 1.032 273 K CA -0.529 55.721 56.287 -0.061 0.000 0.958 273 K CB 0.817 33.296 32.500 -0.034 0.000 0.978 273 K HN -0.431 8.027 8.250 -0.028 -0.224 0.472 274 L N 5.423 126.603 121.223 -0.071 0.000 2.433 274 L HA -0.120 4.172 4.340 -0.080 0.000 0.275 274 L C -0.070 176.765 176.870 -0.058 0.000 1.128 274 L CA 1.028 55.827 54.840 -0.069 0.000 0.875 274 L CB 0.021 42.042 42.059 -0.062 0.000 1.171 274 L HN 0.415 8.603 8.230 -0.069 0.000 0.463 275 L N 7.938 129.120 121.223 -0.067 0.000 2.316 275 L HA 0.102 4.416 4.340 -0.044 0.000 0.207 275 L C 0.272 177.111 176.870 -0.053 0.000 1.070 275 L CA 0.662 55.469 54.840 -0.056 0.000 0.820 275 L CB 0.616 42.638 42.059 -0.062 0.000 0.992 275 L HN 0.941 9.122 8.230 -0.082 0.000 0.466 276 A N -3.291 119.488 122.820 -0.068 0.000 2.599 276 A HA 0.292 4.590 4.320 -0.038 0.000 0.294 276 A C -2.508 175.041 177.584 -0.060 0.000 1.055 276 A CA 0.138 52.144 52.037 -0.053 0.000 0.683 276 A CB 2.338 21.311 19.000 -0.046 0.000 1.278 276 A HN -0.663 7.436 8.150 -0.086 0.000 0.412 277 T N 2.323 116.857 114.554 -0.034 0.000 2.824 277 T HA 0.814 5.334 4.350 -0.033 -0.190 0.282 277 T C -0.623 174.075 174.700 -0.002 0.000 0.993 277 T CA -0.852 61.234 62.100 -0.023 0.000 0.967 277 T CB 1.229 70.088 68.868 -0.015 0.000 0.960 277 T HN 0.068 8.293 8.240 -0.025 0.000 0.441 278 K N 7.223 127.631 120.400 0.013 0.000 2.328 278 K HA 0.440 4.777 4.320 0.028 0.000 0.246 278 K C -2.080 174.544 176.600 0.040 0.000 0.955 278 K CA -2.029 54.279 56.287 0.034 0.000 0.817 278 K CB 2.991 35.529 32.500 0.064 0.000 1.208 278 K HN 0.472 8.728 8.250 0.011 0.000 0.432 279 E N 0.912 121.136 120.200 0.040 0.000 2.146 279 E HA 0.717 5.304 4.350 0.040 -0.213 0.282 279 E C -0.695 175.937 176.600 0.053 0.000 0.989 279 E CA -1.835 54.590 56.400 0.042 0.000 0.799 279 E CB 0.655 30.376 29.700 0.034 0.000 1.088 279 E HN 0.143 8.526 8.360 0.038 0.000 0.397 280 I N 6.188 126.792 120.570 0.057 0.000 2.436 280 I HA 0.268 4.806 4.170 0.062 -0.331 0.289 280 I C -1.396 174.764 176.117 0.071 0.000 1.010 280 I CA -0.810 60.526 61.300 0.059 0.000 1.098 280 I CB 2.756 40.785 38.000 0.049 0.000 1.266 280 I HN 0.250 8.493 8.210 0.055 0.000 0.434 281 S N 5.452 121.211 115.700 0.098 0.000 2.677 281 S HA 1.167 5.865 4.470 0.117 -0.158 0.304 281 S C -0.964 173.720 174.600 0.141 0.000 1.108 281 S CA -1.877 56.407 58.200 0.139 0.000 0.944 281 S CB 3.570 66.868 63.200 0.163 0.000 1.127 281 S HN 0.742 9.116 8.310 0.106 0.000 0.511 282 C N -2.336 117.070 119.300 0.176 0.000 3.321 282 C HA 0.882 5.469 4.460 -0.085 -0.178 0.329 282 C C -0.894 174.201 174.990 0.175 0.000 1.394 282 C CA -1.959 57.116 59.018 0.094 0.000 1.291 282 C CB 3.507 31.280 27.740 0.055 0.000 1.606 282 C HN 0.609 8.949 8.230 0.184 0.000 0.463 283 R N 1.382 121.929 120.500 0.078 0.000 2.075 283 R HA -0.037 4.241 4.340 -0.103 0.000 0.220 283 R C -0.580 175.572 176.300 -0.247 0.000 1.118 283 R CA 1.729 57.722 56.100 -0.179 0.000 0.986 283 R CB 1.396 31.446 30.300 -0.417 0.000 0.884 283 R HN 0.030 8.323 8.270 0.040 0.000 0.439 284 Y N -3.656 116.789 120.300 0.241 0.000 2.341 284 Y HA 0.374 5.199 4.550 0.193 -0.159 0.338 284 Y C -1.800 174.212 175.900 0.186 0.000 0.965 284 Y CA -1.608 56.637 58.100 0.242 0.000 1.108 284 Y CB 2.557 41.253 38.460 0.393 0.000 1.180 284 Y HN -0.262 8.089 8.280 0.119 0.000 0.458 285 L N 2.715 123.982 121.223 0.074 0.000 2.349 285 L HA 0.658 5.249 4.340 0.163 -0.154 0.278 285 L C -2.338 174.441 176.870 -0.151 0.000 0.996 285 L CA -1.396 53.428 54.840 -0.027 0.000 0.825 285 L CB 3.376 45.276 42.059 -0.266 0.000 1.243 285 L HN 0.317 8.499 8.230 -0.080 0.000 0.412 286 F N 5.626 125.631 119.950 0.092 0.000 2.426 286 F HA 0.370 5.151 4.527 0.167 -0.153 0.348 286 F C -1.497 174.311 175.800 0.014 0.000 1.124 286 F CA -1.695 56.365 58.000 0.100 0.000 1.008 286 F CB 2.627 41.676 39.000 0.081 0.000 1.139 286 F HN 0.765 9.315 8.300 0.417 0.000 0.452 287 L N 3.133 124.432 121.223 0.126 0.000 2.265 287 L HA 0.182 4.548 4.340 0.042 0.000 0.288 287 L C -0.145 176.767 176.870 0.071 0.000 1.058 287 L CA -0.136 54.735 54.840 0.052 0.000 0.809 287 L CB 0.178 42.226 42.059 -0.018 0.000 1.179 287 L HN 0.808 9.099 8.230 0.101 0.000 0.429 288 G N 2.819 111.648 108.800 0.048 0.000 4.543 288 G HA2 0.279 4.393 3.960 0.037 0.000 0.286 288 G HA3 0.279 4.232 3.960 0.025 0.022 0.286 288 G C -1.073 173.834 174.900 0.011 0.000 1.112 288 G CA 0.351 45.469 45.100 0.031 0.000 0.870 288 G HN 0.753 9.067 8.290 0.040 0.000 0.540 289 A N 0.751 123.573 122.820 0.004 0.000 2.278 289 A HA 0.141 4.453 4.320 -0.013 0.000 0.212 289 A C -0.962 176.621 177.584 -0.003 0.000 1.213 289 A CA -0.663 51.368 52.037 -0.010 0.000 0.840 289 A CB 0.321 19.308 19.000 -0.023 0.000 0.866 289 A HN -0.383 7.783 8.150 0.004 -0.014 0.489 290 G N -1.949 106.862 108.800 0.020 0.000 2.707 290 G HA2 -0.370 3.632 3.960 0.069 0.000 0.686 290 G HA3 -0.370 3.625 3.960 0.057 0.000 0.686 290 G C 0.164 175.092 174.900 0.048 0.000 1.315 290 G CA -0.516 44.614 45.100 0.050 0.000 0.832 290 G HN -0.407 8.083 8.290 0.022 -0.187 0.573 291 S N 0.109 115.872 115.700 0.106 0.000 2.372 291 S HA -0.408 4.188 4.470 0.117 -0.055 0.227 291 S C 1.901 176.523 174.600 0.037 0.000 1.044 291 S CA 3.218 61.507 58.200 0.150 0.000 1.050 291 S CB 0.034 63.425 63.200 0.318 0.000 0.901 291 S HN 0.454 8.841 8.310 0.129 0.000 0.447 292 L N -1.468 119.791 121.223 0.060 0.000 2.044 292 L HA -0.106 4.065 4.340 -0.281 0.000 0.205 292 L C 2.115 178.889 176.870 -0.160 0.000 1.075 292 L CA 2.509 57.305 54.840 -0.073 0.000 0.747 292 L CB -0.534 41.599 42.059 0.124 0.000 0.903 292 L HN -0.275 8.034 8.230 0.133 0.000 0.435 293 G N -2.286 106.474 108.800 -0.068 0.000 2.394 293 G HA2 -0.267 3.656 3.960 -0.062 0.000 0.215 293 G HA3 -0.267 3.809 3.960 -0.046 -0.143 0.215 293 G C 1.260 176.107 174.900 -0.088 0.000 1.165 293 G CA 1.935 46.995 45.100 -0.067 0.000 0.784 293 G HN -0.398 7.876 8.290 -0.026 0.000 0.535 294 S N 2.451 118.102 115.700 -0.081 0.000 2.368 294 S HA -0.309 4.118 4.470 -0.071 0.000 0.224 294 S C 2.018 176.542 174.600 -0.128 0.000 1.029 294 S CA 4.104 62.255 58.200 -0.081 0.000 0.988 294 S CB 0.084 63.257 63.200 -0.045 0.000 0.838 294 S HN 0.043 8.316 8.310 -0.062 0.000 0.462 295 T N 5.291 119.724 114.554 -0.202 0.000 2.708 295 T HA -0.376 3.864 4.350 -0.184 0.000 0.266 295 T C 1.450 175.985 174.700 -0.275 0.000 1.037 295 T CA 4.841 66.769 62.100 -0.287 0.000 1.146 295 T CB -0.033 68.502 68.868 -0.555 0.000 0.865 295 T HN -0.727 7.390 8.240 -0.205 0.000 0.435 296 E N 2.057 122.084 120.200 -0.288 0.000 2.077 296 E HA -0.327 3.954 4.350 -0.114 0.000 0.193 296 E C 2.250 178.799 176.600 -0.085 0.000 0.989 296 E CA 3.148 59.465 56.400 -0.139 0.000 0.800 296 E CB -0.199 29.461 29.700 -0.067 0.000 0.746 296 E HN -0.500 7.664 8.360 -0.328 0.000 0.452 297 L N -1.482 119.685 121.223 -0.093 0.000 2.042 297 L HA -0.372 3.925 4.340 -0.071 0.000 0.210 297 L C 2.453 179.253 176.870 -0.117 0.000 1.076 297 L CA 3.222 58.009 54.840 -0.088 0.000 0.749 297 L CB -0.042 41.968 42.059 -0.082 0.000 0.893 297 L HN -0.533 7.636 8.230 -0.102 0.000 0.432 298 L N -2.577 118.573 121.223 -0.121 0.000 2.095 298 L HA -0.409 3.848 4.340 -0.139 0.000 0.204 298 L C 2.182 178.981 176.870 -0.118 0.000 1.080 298 L CA 2.906 57.673 54.840 -0.122 0.000 0.759 298 L CB -0.467 41.530 42.059 -0.104 0.000 0.914 298 L HN -0.513 7.645 8.230 -0.120 0.000 0.439 299 V N -0.397 119.455 119.914 -0.104 0.000 2.343 299 V HA -0.497 3.578 4.120 -0.074 0.000 0.247 299 V C 1.810 177.741 176.094 -0.271 0.000 1.051 299 V CA 4.238 66.481 62.300 -0.095 0.000 1.036 299 V CB -0.922 30.905 31.823 0.006 0.000 0.654 299 V HN 0.218 8.347 8.190 -0.101 0.000 0.451 300 R N -0.166 120.139 120.500 -0.325 0.000 2.083 300 R HA -0.500 3.039 4.340 -1.334 0.000 0.237 300 R C 2.204 178.246 176.300 -0.430 0.000 1.137 300 R CA 4.046 59.779 56.100 -0.612 0.000 0.951 300 R CB -0.189 29.958 30.300 -0.255 0.000 0.851 300 R HN -0.022 8.135 8.270 -0.188 0.000 0.434 301 A N -1.813 120.863 122.820 -0.240 0.000 1.902 301 A HA -0.178 4.049 4.320 -0.155 0.000 0.217 301 A C 2.579 180.075 177.584 -0.146 0.000 1.181 301 A CA 2.709 54.644 52.037 -0.171 0.000 0.623 301 A CB -0.665 18.245 19.000 -0.150 0.000 0.818 301 A HN -0.214 7.812 8.150 -0.207 0.000 0.443 302 R N -1.097 119.321 120.500 -0.137 0.000 2.070 302 R HA -0.268 4.242 4.340 -0.030 -0.188 0.233 302 R C 1.593 177.836 176.300 -0.094 0.000 1.137 302 R CA 2.961 59.017 56.100 -0.074 0.000 0.945 302 R CB 0.209 30.483 30.300 -0.043 0.000 0.845 302 R HN -0.195 7.984 8.270 -0.152 0.000 0.430 303 D N -4.667 115.619 120.400 -0.190 0.000 2.349 303 D HA 0.012 4.627 4.640 -0.042 0.000 0.215 303 D C 1.193 177.421 176.300 -0.121 0.000 1.016 303 D CA 1.619 55.537 54.000 -0.137 0.000 0.870 303 D CB 0.048 40.787 40.800 -0.102 0.000 0.917 303 D HN -0.296 7.905 8.370 -0.282 0.000 0.524 304 T N -6.258 108.182 114.554 -0.189 0.000 3.069 304 T HA 0.165 4.512 4.350 -0.005 0.000 0.252 304 T C 1.094 175.772 174.700 -0.037 0.000 1.053 304 T CA -0.514 61.541 62.100 -0.073 0.000 0.964 304 T CB 1.321 70.139 68.868 -0.083 0.000 1.005 304 T HN -0.312 7.732 8.240 -0.268 0.036 0.532 305 G N 2.651 111.427 108.800 -0.040 0.000 2.159 305 G HA2 -0.318 3.642 3.960 0.001 0.000 0.256 305 G HA3 -0.318 3.642 3.960 0.001 0.000 0.256 305 G C 0.516 175.414 174.900 -0.004 0.000 0.977 305 G CA 0.653 45.748 45.100 -0.009 0.000 0.652 305 G HN -0.395 7.691 8.290 -0.061 0.167 0.531 306 T N -3.518 111.021 114.554 -0.025 0.000 3.054 306 T HA -0.029 4.319 4.350 -0.003 0.000 0.259 306 T C -0.683 174.008 174.700 -0.015 0.000 1.092 306 T CA 0.911 63.000 62.100 -0.019 0.000 1.121 306 T CB 0.968 69.815 68.868 -0.034 0.000 0.912 306 T HN -0.395 7.772 8.240 -0.048 0.044 0.489 307 L N 0.527 121.737 121.223 -0.022 0.000 2.529 307 L HA 0.711 5.095 4.340 0.074 0.000 0.246 307 L C -2.169 174.791 176.870 0.151 0.000 1.394 307 L CA -2.784 52.060 54.840 0.006 0.000 0.906 307 L CB 1.265 43.177 42.059 -0.245 0.000 1.170 307 L HN -0.511 7.598 8.230 -0.037 0.099 0.501 308 P HA 0.021 4.482 4.420 0.068 0.000 0.230 308 P C -0.184 177.187 177.300 0.118 0.000 1.158 308 P CA 1.055 64.219 63.100 0.105 0.000 0.769 308 P CB 0.021 31.762 31.700 0.068 0.000 0.807 309 N N -1.648 117.168 118.700 0.194 0.000 2.268 309 N HA 0.139 4.885 4.740 0.009 0.000 0.204 309 N C -0.064 175.513 175.510 0.111 0.000 1.124 309 N CA -0.580 52.492 53.050 0.037 0.000 0.838 309 N CB 0.424 38.760 38.487 -0.252 0.000 0.994 309 N HN -0.348 8.192 8.380 0.367 0.061 0.489 310 L N -0.568 120.802 121.223 0.245 0.000 2.461 310 L HA -0.174 4.291 4.340 0.209 0.000 0.272 310 L C 0.131 177.049 176.870 0.079 0.000 1.197 310 L CA 0.800 55.744 54.840 0.173 0.000 0.836 310 L CB 0.445 42.572 42.059 0.114 0.000 1.105 310 L HN -0.888 7.442 8.230 0.273 0.064 0.477 311 N N 1.195 119.931 118.700 0.060 0.000 2.405 311 N HA 0.049 4.809 4.740 0.033 0.000 0.269 311 N C 0.846 176.380 175.510 0.039 0.000 1.249 311 N CA -1.078 51.995 53.050 0.039 0.000 0.974 311 N CB 0.660 39.166 38.487 0.030 0.000 1.204 311 N HN 0.051 8.471 8.380 0.067 0.000 0.565 312 S N -2.306 113.416 115.700 0.036 0.000 2.481 312 S HA -0.170 4.325 4.470 0.042 0.000 0.231 312 S C 0.934 175.563 174.600 0.048 0.000 0.996 312 S CA 2.745 60.969 58.200 0.040 0.000 0.942 312 S CB -0.510 62.711 63.200 0.035 0.000 0.768 312 S HN 0.364 8.692 8.310 0.031 0.000 0.520 313 E N 1.169 121.396 120.200 0.046 0.000 2.358 313 E HA -0.050 4.336 4.350 0.060 0.000 0.195 313 E C -0.165 176.473 176.600 0.064 0.000 1.010 313 E CA 0.379 56.811 56.400 0.054 0.000 0.856 313 E CB 0.067 29.793 29.700 0.044 0.000 0.795 313 E HN -0.643 7.877 8.360 0.040 -0.136 0.504 314 V N -0.007 119.939 119.914 0.054 0.000 2.493 314 V HA -0.516 3.632 4.120 0.047 0.000 0.292 314 V C 0.919 177.059 176.094 0.077 0.000 1.016 314 V CA 2.351 64.681 62.300 0.049 0.000 1.097 314 V CB -1.869 29.969 31.823 0.025 0.000 0.947 314 V HN -0.821 7.507 8.190 0.047 -0.109 0.479 315 G N 7.153 116.018 108.800 0.108 0.000 2.232 315 G HA2 -0.376 3.723 3.960 0.232 0.000 0.226 315 G HA3 -0.376 3.698 3.960 0.191 0.000 0.226 315 G C -1.640 173.428 174.900 0.281 0.000 0.996 315 G CA 0.280 45.506 45.100 0.209 0.000 0.626 315 G HN 0.958 9.302 8.290 0.090 0.000 0.509 316 A N 0.249 123.187 122.820 0.196 0.000 2.252 316 A HA 0.370 4.802 4.320 0.186 0.000 0.305 316 A C -0.624 177.088 177.584 0.212 0.000 1.097 316 A CA -1.675 50.471 52.037 0.182 0.000 0.849 316 A CB 1.380 20.450 19.000 0.118 0.000 1.142 316 A HN -0.624 7.553 8.150 0.154 0.065 0.499 317 G N -2.582 106.335 108.800 0.196 0.000 2.160 317 G HA2 -0.410 3.636 3.960 0.144 0.000 0.244 317 G HA3 -0.410 3.629 3.960 0.131 0.000 0.244 317 G C -0.657 174.371 174.900 0.213 0.000 1.022 317 G CA -0.090 45.112 45.100 0.169 0.000 0.741 317 G HN 0.372 8.772 8.290 0.183 0.000 0.508 318 W N 2.635 123.998 121.300 0.106 0.000 2.315 318 W HA 0.268 5.165 4.660 0.101 -0.176 0.316 318 W C -2.000 174.534 176.519 0.024 0.000 1.211 318 W CA 0.098 57.491 57.345 0.081 0.000 1.201 318 W CB 1.590 31.078 29.460 0.046 0.000 1.184 318 W HN -0.393 8.039 8.180 0.419 0.000 0.544 319 G N 3.937 112.172 108.800 -0.943 0.000 2.690 319 G HA2 0.472 3.846 3.960 -0.977 0.000 0.293 319 G HA3 0.472 4.103 3.960 -0.548 0.000 0.293 319 G C -3.058 170.840 174.900 -1.669 0.000 1.399 319 G CA -1.262 43.195 45.100 -1.072 0.000 0.890 319 G HN 0.666 8.304 8.290 -1.086 0.000 0.485 320 P HA 0.250 4.080 4.420 -0.984 0.000 0.249 320 P C -0.520 176.516 177.300 -0.440 0.000 1.583 320 P CA -1.029 61.528 63.100 -0.906 0.000 0.988 320 P CB -0.271 30.990 31.700 -0.733 0.000 1.530 321 N N -0.180 118.326 118.700 -0.324 0.000 2.708 321 N HA -0.417 4.399 4.740 -0.056 -0.110 0.249 321 N C 0.107 175.601 175.510 -0.027 0.000 1.097 321 N CA 1.044 54.041 53.050 -0.088 0.000 0.710 321 N CB -1.053 37.465 38.487 0.051 0.000 1.032 321 N HN -0.296 7.735 8.380 -0.426 0.093 0.551 322 G N -6.421 102.338 108.800 -0.070 0.000 2.233 322 G HA2 -0.548 3.420 3.960 0.012 0.000 0.270 322 G HA3 -0.548 3.650 3.960 0.089 -0.184 0.270 322 G C -0.611 174.273 174.900 -0.027 0.000 1.011 322 G CA 0.745 45.850 45.100 0.009 0.000 0.762 322 G HN 0.595 8.773 8.290 -0.141 0.028 0.511 323 N N 1.299 119.892 118.700 -0.178 0.000 2.468 323 N HA 0.149 5.010 4.740 -0.121 -0.194 0.265 323 N C -1.206 174.166 175.510 -0.231 0.000 1.199 323 N CA 1.012 53.899 53.050 -0.271 0.000 0.928 323 N CB 0.857 38.949 38.487 -0.658 0.000 1.059 323 N HN -0.634 7.571 8.380 -0.248 0.026 0.467 324 I N 1.991 122.587 120.570 0.043 0.000 2.656 324 I HA 0.453 4.912 4.170 0.216 -0.159 0.292 324 I C -2.028 174.269 176.117 0.299 0.000 1.144 324 I CA -2.286 59.138 61.300 0.206 0.000 1.038 324 I CB 4.030 42.157 38.000 0.210 0.000 1.244 324 I HN 0.205 8.475 8.210 0.100 0.000 0.420 325 M N 7.251 126.996 119.600 0.241 0.000 2.336 325 M HA 0.858 5.589 4.480 0.095 -0.194 0.342 325 M C -1.621 174.669 176.300 -0.016 0.000 1.128 325 M CA -1.036 54.271 55.300 0.011 0.000 1.016 325 M CB 3.330 35.723 32.600 -0.344 0.000 1.665 325 M HN -0.003 8.460 8.290 0.288 0.000 0.445 326 T N 4.423 118.992 114.554 0.026 0.000 2.762 326 T HA 0.726 5.184 4.350 -0.047 -0.136 0.301 326 T C -2.737 171.943 174.700 -0.032 0.000 1.299 326 T CA -2.363 59.657 62.100 -0.133 0.000 1.005 326 T CB 2.366 70.912 68.868 -0.536 0.000 1.377 326 T HN 0.272 8.547 8.240 0.059 0.000 0.504 327 A N -0.323 122.450 122.820 -0.079 0.000 2.574 327 A HA 0.930 5.425 4.320 0.021 -0.162 0.297 327 A C -2.248 175.363 177.584 0.044 0.000 1.062 327 A CA -0.939 51.087 52.037 -0.018 0.000 0.686 327 A CB 3.579 22.517 19.000 -0.103 0.000 1.285 327 A HN 0.363 8.404 8.150 -0.182 0.000 0.403 328 R N 0.233 120.781 120.500 0.080 0.000 2.637 328 R HA 0.455 4.887 4.340 -0.028 -0.109 0.291 328 R C -1.530 174.763 176.300 -0.012 0.000 0.963 328 R CA -1.849 54.267 56.100 0.026 0.000 0.901 328 R CB 4.410 34.759 30.300 0.083 0.000 1.160 328 R HN 0.474 8.799 8.270 0.092 0.000 0.457 329 A N 3.362 126.154 122.820 -0.047 0.000 2.309 329 A HA 0.187 4.508 4.320 0.003 0.000 0.290 329 A C -1.420 176.090 177.584 -0.123 0.000 1.206 329 A CA -0.888 51.123 52.037 -0.042 0.000 0.850 329 A CB 0.664 19.645 19.000 -0.033 0.000 1.118 329 A HN 0.303 8.413 8.150 -0.068 0.000 0.523 330 N N 5.697 124.349 118.700 -0.080 0.000 2.467 330 N HA 0.009 4.566 4.740 -0.304 0.000 0.262 330 N C -0.333 174.985 175.510 -0.320 0.000 1.234 330 N CA -0.084 52.855 53.050 -0.184 0.000 0.952 330 N CB 1.648 40.123 38.487 -0.020 0.000 1.158 330 N HN -0.261 8.128 8.380 0.014 0.000 0.463 331 H N 0.629 119.415 119.070 -0.474 0.000 2.913 331 H HA -0.044 4.014 4.556 -0.830 0.000 0.365 331 H C 1.545 176.426 175.328 -0.745 0.000 1.155 331 H CA 0.692 56.165 56.048 -0.958 0.000 1.417 331 H CB 0.944 29.468 29.762 -2.064 0.000 1.386 331 H HN 0.216 8.022 8.280 -0.791 0.000 0.614 332 M N 0.108 119.351 119.600 -0.595 0.000 2.279 332 M HA -0.200 3.793 4.480 -0.811 0.000 0.264 332 M C 1.569 177.941 176.300 0.120 0.000 1.062 332 M CA 2.441 57.513 55.300 -0.381 0.000 1.099 332 M CB -0.502 31.953 32.600 -0.241 0.000 1.394 332 M HN 0.450 8.346 8.290 -0.657 0.000 0.426 333 W N -5.281 116.111 121.300 0.154 0.000 3.077 333 W HA -0.067 4.682 4.660 0.148 0.000 0.245 333 W C -1.142 175.484 176.519 0.179 0.000 1.316 333 W CA -0.961 56.473 57.345 0.147 0.000 1.537 333 W CB -0.593 28.906 29.460 0.065 0.000 1.131 333 W HN -0.204 7.734 8.180 -0.356 0.028 0.695 334 N N 0.232 118.996 118.700 0.106 0.000 2.818 334 N HA 0.363 5.193 4.740 0.149 0.000 0.301 334 N C -2.702 172.887 175.510 0.133 0.000 1.821 334 N CA -2.184 50.934 53.050 0.114 0.000 0.930 334 N CB -0.123 38.382 38.487 0.030 0.000 1.263 334 N HN -0.380 7.795 8.380 -0.020 0.193 0.487 335 P HA 0.032 4.236 4.420 -0.498 -0.083 0.271 335 P C -0.518 176.655 177.300 -0.212 0.000 1.218 335 P CA -0.215 62.740 63.100 -0.243 0.000 0.780 335 P CB 0.422 31.942 31.700 -0.301 0.000 0.901 336 T N -4.493 109.875 114.554 -0.311 0.000 3.081 336 T HA 0.005 4.297 4.350 -0.097 0.000 0.250 336 T C -0.204 174.372 174.700 -0.207 0.000 1.100 336 T CA 0.006 61.999 62.100 -0.178 0.000 1.038 336 T CB 0.878 69.667 68.868 -0.133 0.000 0.962 336 T HN 0.118 8.368 8.240 -0.465 -0.289 0.516 337 G N 0.658 109.251 108.800 -0.345 0.000 2.784 337 G HA2 -0.218 3.522 3.960 -0.367 0.000 0.686 337 G HA3 -0.218 3.566 3.960 -0.294 0.000 0.686 337 G C -0.691 173.926 174.900 -0.471 0.000 1.156 337 G CA -0.483 44.399 45.100 -0.363 0.000 0.757 337 G HN -0.640 7.766 8.290 -0.435 -0.377 0.642 338 A N 0.899 123.363 122.820 -0.594 0.000 2.119 338 A HA -0.080 3.882 4.320 -0.597 0.000 0.216 338 A C -1.166 175.886 177.584 -0.887 0.000 1.152 338 A CA 1.012 52.603 52.037 -0.744 0.000 0.708 338 A CB 0.604 19.096 19.000 -0.846 0.000 0.805 338 A HN 0.278 8.086 8.150 -0.570 0.000 0.460 339 H N -2.261 116.541 119.070 -0.446 0.000 2.638 339 H HA 0.295 4.586 4.556 -0.442 0.000 0.303 339 H C -1.480 173.596 175.328 -0.419 0.000 1.034 339 H CA -1.369 54.285 56.048 -0.656 0.000 1.225 339 H CB 0.453 29.383 29.762 -1.387 0.000 1.394 339 H HN -0.104 7.717 8.280 -0.677 0.053 0.477 340 Q N 5.155 124.948 119.800 -0.011 0.000 2.309 340 Q HA 0.289 4.811 4.340 0.050 -0.152 0.270 340 Q C -0.992 175.068 176.000 0.101 0.000 1.023 340 Q CA -1.712 54.059 55.803 -0.053 0.000 0.758 340 Q CB 2.638 31.087 28.738 -0.483 0.000 1.247 340 Q HN 0.296 8.598 8.270 0.052 0.000 0.455 341 S N 3.861 119.635 115.700 0.123 0.000 2.552 341 S HA -0.139 4.460 4.470 0.004 -0.126 0.289 341 S C 1.944 176.496 174.600 -0.080 0.000 1.304 341 S CA -0.057 58.126 58.200 -0.029 0.000 1.063 341 S CB 0.723 63.754 63.200 -0.280 0.000 0.848 341 S HN -0.022 8.355 8.310 0.111 0.000 0.499 342 S N 6.398 122.046 115.700 -0.087 0.000 2.561 342 S HA 0.125 4.211 4.470 -0.640 0.000 0.225 342 S C 0.105 174.686 174.600 -0.031 0.000 0.977 342 S CA -0.139 58.004 58.200 -0.094 0.000 0.926 342 S CB 0.147 63.287 63.200 -0.100 0.000 0.769 342 S HN 0.365 nan 8.310 nan 0.000 0.533 343 I N 4.598 125.188 120.570 0.033 0.000 2.312 343 I HA 0.457 4.683 4.170 0.093 0.000 0.290 343 I C -2.171 174.198 176.117 0.419 0.000 1.008 343 I CA -4.336 57.043 61.300 0.131 0.000 1.226 343 I CB 0.121 38.096 38.000 -0.042 0.000 1.371 343 I HN -0.758 7.394 8.210 0.021 0.071 0.468 344 P HA 0.046 nan 4.420 nan 0.000 0.269 344 P C -1.748 175.844 177.300 0.487 0.000 1.215 344 P CA -0.008 63.398 63.100 0.509 0.000 0.780 344 P CB 0.338 32.248 31.700 0.350 0.000 0.898 345 A N -0.344 122.727 122.820 0.419 0.000 2.312 345 A HA 0.317 4.788 4.320 0.251 0.000 0.215 345 A C -1.705 175.908 177.584 0.049 0.000 1.256 345 A CA -0.428 51.708 52.037 0.164 0.000 0.966 345 A CB 2.048 20.912 19.000 -0.226 0.000 1.053 345 A HN 0.530 8.967 8.150 0.480 0.000 0.510 346 L N -2.509 118.751 121.223 0.061 0.000 2.388 346 L HA 0.928 5.382 4.340 -0.132 -0.193 0.264 346 L C -1.711 175.229 176.870 0.117 0.000 0.998 346 L CA -0.867 53.947 54.840 -0.043 0.000 0.817 346 L CB 4.532 46.511 42.059 -0.134 0.000 1.338 346 L HN -0.597 7.731 8.230 0.163 0.000 0.414 347 G N 1.281 110.170 108.800 0.148 0.000 2.605 347 G HA2 0.802 5.166 3.960 0.308 0.000 0.296 347 G HA3 0.802 5.012 3.960 0.440 0.015 0.296 347 G C -2.519 172.513 174.900 0.220 0.000 1.304 347 G CA -1.607 43.674 45.100 0.301 0.000 0.941 347 G HN 0.531 8.872 8.290 0.085 0.000 0.475 348 I N -0.300 120.414 120.570 0.241 0.000 2.307 348 I HA 0.209 4.537 4.170 -0.015 -0.167 0.289 348 I C -1.719 174.331 176.117 -0.113 0.000 1.021 348 I CA -0.288 61.043 61.300 0.051 0.000 1.224 348 I CB 1.160 39.183 38.000 0.039 0.000 1.376 348 I HN 0.552 8.966 8.210 0.341 0.000 0.470 349 D N 8.010 128.173 120.400 -0.395 0.000 2.428 349 D HA 0.139 4.066 4.640 -1.188 0.000 0.221 349 D C -1.539 174.535 176.300 -0.378 0.000 1.123 349 D CA -1.208 52.300 54.000 -0.821 0.000 0.869 349 D CB 0.851 41.088 40.800 -0.937 0.000 1.032 349 D HN -0.254 7.943 8.370 -0.288 0.000 0.506 350 A N 5.008 127.682 122.820 -0.244 0.000 2.855 350 A HA 0.322 4.549 4.320 -0.155 0.000 0.301 350 A C -1.031 176.502 177.584 -0.085 0.000 1.076 350 A CA -1.406 50.541 52.037 -0.150 0.000 1.004 350 A CB 0.516 19.421 19.000 -0.157 0.000 1.152 350 A HN 0.528 8.546 8.150 -0.220 0.000 0.531 351 W N 2.227 123.389 121.300 -0.230 0.000 2.291 351 W HA 0.192 4.772 4.660 -0.134 0.000 0.312 351 W C -2.497 173.940 176.519 -0.136 0.000 1.061 351 W CA -0.520 56.730 57.345 -0.159 0.000 1.296 351 W CB 1.905 31.296 29.460 -0.116 0.000 1.223 351 W HN -0.304 8.296 8.180 -0.029 -0.437 0.421 352 D N 4.641 124.885 120.400 -0.261 0.000 2.513 352 D HA 0.175 4.828 4.640 0.021 0.000 0.222 352 D C 0.136 176.347 176.300 -0.148 0.000 1.210 352 D CA -1.207 52.725 54.000 -0.114 0.000 0.825 352 D CB 0.905 41.637 40.800 -0.114 0.000 1.037 352 D HN -0.368 7.708 8.370 -0.490 0.000 0.506 353 N N -3.796 114.665 118.700 -0.397 0.000 2.984 353 N HA -0.399 4.158 4.740 -0.306 0.000 0.227 353 N C -0.643 174.721 175.510 -0.243 0.000 0.903 353 N CA 1.740 54.667 53.050 -0.206 0.000 0.995 353 N CB -1.460 37.132 38.487 0.176 0.000 1.065 353 N HN 0.032 7.878 8.380 -0.890 0.000 0.585 354 S N -0.470 115.043 115.700 -0.311 0.000 2.661 354 S HA 0.262 4.644 4.470 -0.147 0.000 0.265 354 S C 0.372 174.790 174.600 -0.304 0.000 1.225 354 S CA 0.022 58.084 58.200 -0.231 0.000 0.986 354 S CB 1.983 65.076 63.200 -0.178 0.000 1.008 354 S HN -0.317 8.004 8.310 -0.340 -0.216 0.565 355 D N -0.605 119.678 120.400 -0.195 0.000 2.371 355 D HA -0.023 4.500 4.640 -0.196 0.000 0.221 355 D C 0.981 177.155 176.300 -0.209 0.000 0.986 355 D CA 2.181 56.072 54.000 -0.182 0.000 0.899 355 D CB -0.714 40.023 40.800 -0.104 0.000 0.902 355 D HN 0.426 8.709 8.370 -0.145 0.000 0.530 356 S N -2.222 113.342 115.700 -0.226 0.000 2.575 356 S HA 0.054 4.424 4.470 -0.167 0.000 0.215 356 S C -0.044 174.388 174.600 -0.280 0.000 0.966 356 S CA 0.406 58.482 58.200 -0.206 0.000 0.911 356 S CB 0.654 63.758 63.200 -0.159 0.000 0.780 356 S HN -0.653 7.466 8.310 -0.224 0.056 0.514 357 S N 2.050 117.464 115.700 -0.476 0.000 2.552 357 S HA -0.189 4.147 4.470 -0.518 -0.177 0.289 357 S C -1.122 173.254 174.600 -0.373 0.000 1.304 357 S CA 2.021 59.814 58.200 -0.678 0.000 1.063 357 S CB 0.699 62.850 63.200 -1.748 0.000 0.848 357 S HN -0.570 7.252 8.310 -0.518 0.177 0.499 358 V N 2.847 122.710 119.914 -0.086 0.000 2.733 358 V HA 0.463 4.934 4.120 0.258 -0.196 0.306 358 V C -2.290 174.015 176.094 0.351 0.000 1.084 358 V CA -1.245 61.155 62.300 0.167 0.000 0.905 358 V CB 3.643 35.499 31.823 0.054 0.000 1.010 358 V HN 0.036 8.049 8.190 -0.108 0.112 0.424 359 F N 7.266 127.422 119.950 0.342 0.000 2.434 359 F HA 0.637 5.454 4.527 0.178 -0.184 0.355 359 F C -1.025 174.898 175.800 0.205 0.000 1.115 359 F CA -1.805 56.328 58.000 0.222 0.000 1.010 359 F CB 2.380 41.461 39.000 0.135 0.000 1.234 359 F HN 0.401 9.083 8.300 0.638 0.000 0.439 360 A N 8.382 131.547 122.820 0.576 0.000 2.273 360 A HA 0.436 4.372 4.320 -0.640 0.000 0.315 360 A C -0.210 177.658 177.584 0.473 0.000 1.256 360 A CA -0.692 51.638 52.037 0.489 0.000 0.851 360 A CB 0.268 19.590 19.000 0.537 0.000 1.172 360 A HN 0.545 nan 8.150 nan 0.000 0.508 361 E N 6.116 126.544 120.200 0.380 0.000 2.415 361 E HA 0.124 4.090 4.350 -0.640 0.000 0.263 361 E C -1.446 175.390 176.600 0.393 0.000 0.995 361 E CA -0.365 56.231 56.400 0.326 0.000 0.915 361 E CB 0.859 30.712 29.700 0.256 0.000 0.951 361 E HN 0.299 nan 8.360 nan 0.000 0.449 362 I N 6.458 127.245 120.570 0.361 0.000 2.281 362 I HA 0.018 4.360 4.170 0.286 0.000 0.293 362 I C -1.505 174.822 176.117 0.350 0.000 1.085 362 I CA -0.361 61.135 61.300 0.326 0.000 1.257 362 I CB -0.327 37.854 38.000 0.301 0.000 1.430 362 I HN -0.197 8.212 8.210 0.330 0.000 0.489 363 A N 8.206 131.132 122.820 0.177 0.000 2.301 363 A HA 0.658 5.243 4.320 0.190 -0.151 0.298 363 A C -2.664 174.883 177.584 -0.062 0.000 1.185 363 A CA -3.407 48.698 52.037 0.115 0.000 0.830 363 A CB 0.727 19.743 19.000 0.027 0.000 1.112 363 A HN 0.261 8.432 8.150 0.034 0.000 0.508 364 P HA 0.108 3.734 4.420 -1.521 -0.118 0.274 364 P C -1.114 175.895 177.300 -0.485 0.000 1.237 364 P CA -0.680 61.884 63.100 -0.892 0.000 0.793 364 P CB 1.132 32.318 31.700 -0.856 0.000 0.977 365 M N -1.322 117.966 119.600 -0.521 0.000 2.465 365 M HA 0.433 4.745 4.480 -0.279 0.000 0.316 365 M C -1.399 174.702 176.300 -0.331 0.000 1.121 365 M CA -2.303 52.778 55.300 -0.364 0.000 0.934 365 M CB 1.672 34.031 32.600 -0.402 0.000 1.692 365 M HN 0.240 8.490 8.290 -0.665 -0.359 0.444 366 P HA 0.195 4.518 4.420 -0.160 0.000 0.255 366 P C -0.581 176.624 177.300 -0.158 0.000 1.248 366 P CA 0.131 63.133 63.100 -0.163 0.000 0.807 366 P CB 0.675 32.315 31.700 -0.101 0.000 1.150 367 A N -1.268 121.408 122.820 -0.240 0.000 1.978 367 A HA -0.249 4.014 4.320 -0.095 0.000 0.220 367 A C 0.676 178.132 177.584 -0.214 0.000 1.170 367 A CA 1.799 53.699 52.037 -0.229 0.000 0.636 367 A CB -0.183 18.510 19.000 -0.511 0.000 0.810 367 A HN 0.044 7.946 8.150 -0.318 0.056 0.448 368 G N -5.585 103.053 108.800 -0.271 0.000 2.176 368 G HA2 -0.361 3.634 3.960 -0.239 0.000 0.253 368 G HA3 -0.361 3.518 3.960 -0.135 0.000 0.253 368 G C -1.290 173.440 174.900 -0.284 0.000 0.979 368 G CA 0.369 45.334 45.100 -0.226 0.000 0.641 368 G HN 0.478 8.574 8.290 -0.323 0.000 0.530 369 L N -6.642 114.380 121.223 -0.335 0.000 2.359 369 L HA 0.495 4.631 4.340 -0.340 0.000 0.256 369 L C -1.937 174.660 176.870 -0.454 0.000 1.026 369 L CA -3.165 51.473 54.840 -0.336 0.000 0.828 369 L CB 2.758 44.697 42.059 -0.199 0.000 1.406 369 L HN -0.830 7.097 8.230 -0.366 0.083 0.413 370 E N -0.569 119.342 120.200 -0.483 0.000 2.324 370 E HA 0.003 3.919 4.350 -0.724 0.000 0.271 370 E C -0.119 176.087 176.600 -0.657 0.000 1.028 370 E CA 0.660 56.627 56.400 -0.722 0.000 0.890 370 E CB 0.304 29.430 29.700 -0.956 0.000 1.004 370 E HN 0.243 8.358 8.360 -0.407 0.000 0.431 371 T N 0.346 114.522 114.554 -0.630 0.000 3.004 371 T HA 0.304 4.660 4.350 0.009 0.000 0.266 371 T C 0.575 175.325 174.700 0.084 0.000 0.986 371 T CA -1.050 60.891 62.100 -0.266 0.000 0.902 371 T CB 1.400 69.875 68.868 -0.655 0.000 1.118 371 T HN 0.164 7.991 8.240 -0.688 0.000 0.522 372 W N -3.503 117.686 121.300 -0.184 0.000 3.207 372 W HA -0.375 4.276 4.660 -0.149 -0.081 0.291 372 W C -1.602 174.826 176.519 -0.152 0.000 1.105 372 W CA 0.843 58.099 57.345 -0.149 0.000 0.612 372 W CB -2.266 27.121 29.460 -0.121 0.000 2.140 372 W HN -0.158 7.904 8.180 -0.666 -0.281 1.420 373 V N -0.348 119.528 119.914 -0.063 0.000 2.465 373 V HA 0.370 4.634 4.120 -0.021 -0.156 0.279 373 V C 0.427 176.437 176.094 -0.141 0.000 1.045 373 V CA -0.625 61.624 62.300 -0.085 0.000 0.938 373 V CB 0.445 32.190 31.823 -0.129 0.000 0.986 373 V HN -0.723 7.301 8.190 -0.173 0.062 0.467 374 S N 6.716 122.343 115.700 -0.123 0.000 2.442 374 S HA 0.291 4.624 4.470 -0.228 0.000 0.297 374 S C -1.985 172.353 174.600 -0.436 0.000 1.131 374 S CA -0.589 57.466 58.200 -0.243 0.000 1.092 374 S CB 1.435 64.545 63.200 -0.151 0.000 0.998 374 S HN 0.282 8.550 8.310 -0.070 0.000 0.478 375 L N 5.885 126.777 121.223 -0.551 0.000 2.334 375 L HA 0.596 4.880 4.340 -0.314 -0.132 0.276 375 L C -2.239 174.233 176.870 -0.663 0.000 1.014 375 L CA -1.195 53.380 54.840 -0.440 0.000 0.815 375 L CB 3.749 45.674 42.059 -0.224 0.000 1.268 375 L HN 0.330 8.279 8.230 -0.468 0.000 0.428 376 Y N 1.344 121.624 120.300 -0.033 0.000 2.457 376 Y HA 0.705 5.718 4.550 0.116 -0.394 0.343 376 Y C -1.559 174.372 175.900 0.053 0.000 0.994 376 Y CA -1.979 56.135 58.100 0.024 0.000 1.031 376 Y CB 4.013 42.403 38.460 -0.117 0.000 1.246 376 Y HN 0.626 8.875 8.280 -0.053 0.000 0.449 377 L N 2.935 124.325 121.223 0.279 0.000 2.295 377 L HA 0.583 5.184 4.340 0.208 -0.137 0.281 377 L C -1.498 175.552 176.870 0.300 0.000 1.018 377 L CA -1.557 53.424 54.840 0.235 0.000 0.841 377 L CB 2.067 44.234 42.059 0.179 0.000 1.218 377 L HN -0.189 8.225 8.230 0.306 0.000 0.424 378 A N 6.541 129.551 122.820 0.316 0.000 2.331 378 A HA 0.307 4.987 4.320 0.396 -0.122 0.283 378 A C -1.383 176.355 177.584 0.258 0.000 1.142 378 A CA -1.290 50.957 52.037 0.349 0.000 0.812 378 A CB 2.052 21.294 19.000 0.404 0.000 1.074 378 A HN 0.871 9.197 8.150 0.293 0.000 0.497 379 I N 3.834 124.577 120.570 0.289 0.000 2.354 379 I HA 0.405 4.696 4.170 0.202 0.000 0.292 379 I C -0.480 175.882 176.117 0.407 0.000 0.989 379 I CA -0.814 60.650 61.300 0.272 0.000 1.188 379 I CB 1.484 39.608 38.000 0.207 0.000 1.342 379 I HN 0.552 8.964 8.210 0.338 0.000 0.457 380 T N 2.586 117.346 114.554 0.343 0.000 2.888 380 T HA 0.643 5.305 4.350 0.253 -0.160 0.288 380 T C -0.855 174.004 174.700 0.265 0.000 1.063 380 T CA -2.547 59.709 62.100 0.260 0.000 1.010 380 T CB 2.981 71.919 68.868 0.116 0.000 1.214 380 T HN -0.124 8.271 8.240 0.258 0.000 0.533 381 K N 1.528 121.934 120.400 0.010 0.000 2.414 381 K HA 0.219 4.676 4.320 0.229 0.000 0.251 381 K C -1.662 174.955 176.600 0.028 0.000 1.037 381 K CA -0.951 55.358 56.287 0.037 0.000 0.980 381 K CB 0.771 33.122 32.500 -0.249 0.000 1.280 381 K HN 0.262 8.437 8.250 -0.126 0.000 0.451 382 N N 6.431 125.187 118.700 0.093 0.000 2.448 382 N HA 0.380 5.149 4.740 0.048 0.000 0.279 382 N C -1.174 174.400 175.510 0.106 0.000 1.025 382 N CA -3.492 49.608 53.050 0.083 0.000 0.898 382 N CB 1.591 40.145 38.487 0.110 0.000 1.303 382 N HN 0.128 8.587 8.380 0.132 0.000 0.495 383 P HA 0.078 4.553 4.420 0.091 0.000 0.233 383 P C -0.136 177.220 177.300 0.093 0.000 1.167 383 P CA 0.336 63.484 63.100 0.080 0.000 0.770 383 P CB 0.275 32.004 31.700 0.048 0.000 0.837 384 Q N 1.099 120.962 119.800 0.105 0.000 2.361 384 Q HA -0.116 4.248 4.340 0.040 0.000 0.276 384 Q C -0.534 175.629 176.000 0.272 0.000 1.022 384 Q CA 1.087 56.950 55.803 0.098 0.000 0.898 384 Q CB 0.642 29.363 28.738 -0.028 0.000 1.246 384 Q HN -0.443 8.119 8.270 0.100 -0.233 0.410 385 R N 0.619 121.266 120.500 0.246 0.000 2.795 385 R HA 0.628 5.430 4.340 0.510 -0.156 0.275 385 R C -0.189 176.349 176.300 0.396 0.000 0.981 385 R CA -2.064 54.258 56.100 0.370 0.000 0.917 385 R CB 3.141 33.567 30.300 0.210 0.000 1.202 385 R HN 0.008 8.356 8.270 0.130 0.000 0.469 386 G N -0.462 108.684 108.800 0.577 0.000 2.552 386 G HA2 0.628 4.801 3.960 0.262 0.000 0.324 386 G HA3 0.628 4.929 3.960 0.502 -0.041 0.324 386 G C -2.139 172.873 174.900 0.185 0.000 1.217 386 G CA -1.240 44.094 45.100 0.391 0.000 0.989 386 G HN 0.593 9.284 8.290 0.669 0.000 0.490 387 T N 2.458 117.016 114.554 0.007 0.000 2.861 387 T HA 0.706 5.296 4.350 0.103 -0.179 0.287 387 T C -1.224 173.374 174.700 -0.170 0.000 1.003 387 T CA -0.964 61.138 62.100 0.004 0.000 0.977 387 T CB 3.276 72.175 68.868 0.052 0.000 0.996 387 T HN 0.202 8.767 8.240 -0.028 -0.342 0.448 388 F N 5.907 125.831 119.950 -0.045 0.000 2.421 388 F HA 0.177 4.783 4.527 -0.151 -0.169 0.358 388 F C -0.728 175.072 175.800 -0.001 0.000 1.115 388 F CA 0.628 58.578 58.000 -0.083 0.000 1.160 388 F CB 0.363 39.310 39.000 -0.089 0.000 1.123 388 F HN 0.575 9.067 8.300 0.320 0.000 0.508 389 V N 2.047 122.048 119.914 0.146 0.000 2.881 389 V HA 0.327 4.550 4.120 0.173 0.000 0.316 389 V C -2.451 173.763 176.094 0.201 0.000 1.070 389 V CA -2.846 59.545 62.300 0.152 0.000 0.976 389 V CB 3.950 35.824 31.823 0.084 0.000 1.038 389 V HN 0.346 8.590 8.190 0.089 0.000 0.446 390 Y N 6.104 126.443 120.300 0.064 0.000 2.313 390 Y HA 0.106 4.813 4.550 0.066 -0.117 0.332 390 Y C -1.394 174.534 175.900 0.046 0.000 1.071 390 Y CA -0.741 57.392 58.100 0.056 0.000 1.169 390 Y CB 1.242 39.727 38.460 0.042 0.000 1.192 390 Y HN 0.547 9.003 8.280 0.294 0.000 0.487 391 D N 7.840 127.925 120.400 -0.524 0.000 2.454 391 D HA 0.159 4.620 4.640 -0.298 0.000 0.225 391 D C -0.574 175.222 176.300 -0.841 0.000 1.081 391 D CA -2.220 51.495 54.000 -0.475 0.000 0.864 391 D CB 1.053 41.712 40.800 -0.235 0.000 1.040 391 D HN 0.200 8.279 8.370 -0.486 0.000 0.517 392 A N 6.718 129.145 122.820 -0.655 0.000 2.019 392 A HA -0.217 3.762 4.320 -0.568 0.000 0.219 392 A C 0.599 178.072 177.584 -0.185 0.000 1.164 392 A CA 2.257 54.067 52.037 -0.379 0.000 0.644 392 A CB -0.358 18.650 19.000 0.013 0.000 0.805 392 A HN 0.577 8.484 8.150 -0.406 0.000 0.449 393 A N -2.056 120.670 122.820 -0.156 0.000 1.877 393 A HA -0.163 4.126 4.320 -0.052 0.000 0.216 393 A C 1.441 178.978 177.584 -0.079 0.000 1.186 393 A CA 2.553 54.541 52.037 -0.083 0.000 0.620 393 A CB -0.015 18.947 19.000 -0.064 0.000 0.822 393 A HN -0.267 7.941 8.150 -0.178 -0.166 0.443 394 T N -6.662 107.826 114.554 -0.111 0.000 3.086 394 T HA -0.089 4.234 4.350 -0.047 0.000 0.250 394 T C 0.473 175.133 174.700 -0.067 0.000 1.074 394 T CA -0.465 61.592 62.100 -0.073 0.000 0.988 394 T CB 1.056 69.892 68.868 -0.054 0.000 0.988 394 T HN -0.700 7.638 8.240 -0.151 -0.188 0.530 395 D N 0.980 121.300 120.400 -0.134 0.000 2.699 395 D HA -0.496 4.133 4.640 -0.084 -0.039 0.239 395 D C -2.319 174.005 176.300 0.040 0.000 1.136 395 D CA 1.457 55.440 54.000 -0.028 0.000 0.668 395 D CB -0.972 39.884 40.800 0.093 0.000 1.060 395 D HN -0.230 7.843 8.370 -0.216 0.168 0.429 396 R N -3.652 116.801 120.500 -0.079 0.000 2.686 396 R HA 0.663 5.231 4.340 0.135 -0.147 0.283 396 R C -1.718 174.641 176.300 0.099 0.000 0.978 396 R CA -3.047 53.090 56.100 0.062 0.000 0.897 396 R CB 3.420 33.750 30.300 0.050 0.000 1.192 396 R HN -0.742 7.371 8.270 -0.261 0.000 0.457 397 A N 4.746 127.712 122.820 0.244 0.000 2.343 397 A HA 0.496 5.315 4.320 0.291 -0.325 0.305 397 A C -0.808 176.969 177.584 0.321 0.000 1.308 397 A CA -1.016 51.197 52.037 0.292 0.000 0.949 397 A CB 0.237 19.390 19.000 0.254 0.000 1.148 397 A HN 0.554 9.163 8.150 0.236 -0.317 0.545 398 K N 5.297 125.822 120.400 0.207 0.000 2.211 398 K HA 0.230 4.724 4.320 0.289 0.000 0.275 398 K C -1.116 175.405 176.600 -0.131 0.000 1.024 398 K CA -1.337 55.032 56.287 0.136 0.000 0.887 398 K CB 1.948 34.501 32.500 0.087 0.000 1.084 398 K HN 0.797 9.042 8.250 0.176 0.111 0.463 399 L N 6.018 126.874 121.223 -0.612 0.000 2.369 399 L HA -0.071 3.705 4.340 -1.180 -0.144 0.279 399 L C -1.027 175.557 176.870 -0.477 0.000 1.108 399 L CA -0.077 54.118 54.840 -1.075 0.000 0.852 399 L CB 0.602 41.464 42.059 -1.996 0.000 1.169 399 L HN 0.470 8.249 8.230 -0.752 0.000 0.452 400 N N 5.508 124.020 118.700 -0.313 0.000 2.807 400 N HA 0.064 4.753 4.740 -0.085 0.000 0.259 400 N C -1.794 173.699 175.510 -0.029 0.000 1.149 400 N CA -0.339 52.637 53.050 -0.122 0.000 1.042 400 N CB -0.252 38.188 38.487 -0.079 0.000 1.367 400 N HN 0.147 8.305 8.380 -0.369 0.000 0.516 401 W N 4.736 125.906 121.300 -0.216 0.000 2.785 401 W HA 0.706 5.542 4.660 -0.055 -0.210 0.333 401 W C -2.093 174.394 176.519 -0.053 0.000 1.062 401 W CA -1.604 55.679 57.345 -0.103 0.000 1.233 401 W CB 4.032 33.429 29.460 -0.104 0.000 1.413 401 W HN -0.413 7.697 8.180 0.024 0.084 0.489 402 T N 0.170 114.406 114.554 -0.529 0.000 2.918 402 T HA 0.435 4.809 4.350 -0.109 -0.090 0.286 402 T C 0.553 175.008 174.700 -0.408 0.000 1.026 402 T CA -2.108 59.799 62.100 -0.321 0.000 1.031 402 T CB 3.385 72.105 68.868 -0.246 0.000 1.046 402 T HN 0.068 8.108 8.240 -0.835 -0.302 0.479 403 R N 2.073 122.526 120.500 -0.077 0.000 2.120 403 R HA -0.319 4.122 4.340 0.169 0.000 0.234 403 R C 1.923 178.189 176.300 -0.058 0.000 1.123 403 R CA 3.833 59.951 56.100 0.031 0.000 0.975 403 R CB -0.062 30.285 30.300 0.078 0.000 0.866 403 R HN 0.577 9.213 8.270 -0.020 -0.378 0.446 404 D N -1.144 119.182 120.400 -0.123 0.000 2.190 404 D HA -0.234 4.360 4.640 -0.076 0.000 0.200 404 D C 2.297 178.480 176.300 -0.195 0.000 0.992 404 D CA 3.103 57.027 54.000 -0.127 0.000 0.854 404 D CB -0.946 39.781 40.800 -0.122 0.000 0.936 404 D HN 0.324 8.587 8.370 -0.126 0.031 0.462 405 Q N -3.063 116.499 119.800 -0.397 0.000 2.364 405 Q HA -0.208 3.900 4.340 -0.388 0.000 0.207 405 Q C 1.039 176.902 176.000 -0.228 0.000 0.970 405 Q CA 2.416 57.885 55.803 -0.557 0.000 0.888 405 Q CB -0.073 27.864 28.738 -1.335 0.000 0.951 405 Q HN -0.198 7.518 8.270 -0.486 0.262 0.469 406 N N -2.130 116.577 118.700 0.013 0.000 2.336 406 N HA -0.042 4.868 4.740 0.284 0.000 0.189 406 N C 0.326 175.876 175.510 0.066 0.000 1.113 406 N CA 0.165 53.336 53.050 0.201 0.000 0.858 406 N CB 0.346 39.019 38.487 0.309 0.000 0.970 406 N HN -0.440 7.763 8.380 -0.033 0.157 0.471 407 A N 1.321 124.139 122.820 -0.004 0.000 1.908 407 A HA -0.079 4.223 4.320 -0.030 0.000 0.218 407 A C -1.388 176.175 177.584 -0.034 0.000 1.181 407 A CA 4.841 56.861 52.037 -0.029 0.000 0.627 407 A CB -2.363 16.610 19.000 -0.045 0.000 0.818 407 A HN -0.209 7.751 8.150 -0.034 0.170 0.445 408 P HA -0.177 4.219 4.420 -0.040 0.000 0.217 408 P C 1.137 178.425 177.300 -0.019 0.000 1.150 408 P CA 2.897 65.983 63.100 -0.024 0.000 0.832 408 P CB -0.593 31.101 31.700 -0.010 0.000 0.787 409 A N -2.220 120.611 122.820 0.017 0.000 1.877 409 A HA -0.233 4.103 4.320 0.027 0.000 0.216 409 A C 2.131 179.707 177.584 -0.014 0.000 1.186 409 A CA 3.006 55.060 52.037 0.029 0.000 0.620 409 A CB -0.807 18.238 19.000 0.074 0.000 0.822 409 A HN -0.736 7.440 8.150 0.042 0.000 0.443 410 V N -0.968 118.914 119.914 -0.053 0.000 2.287 410 V HA -0.688 3.304 4.120 -0.214 0.000 0.248 410 V C 2.014 177.928 176.094 -0.300 0.000 1.053 410 V CA 4.748 66.922 62.300 -0.211 0.000 1.027 410 V CB -0.435 31.262 31.823 -0.209 0.000 0.646 410 V HN 0.015 8.192 8.190 -0.021 0.000 0.447 411 N N -0.540 118.052 118.700 -0.180 0.000 2.120 411 N HA -0.320 4.299 4.740 -0.201 0.000 0.188 411 N C 2.116 177.553 175.510 -0.122 0.000 1.024 411 N CA 3.132 56.087 53.050 -0.158 0.000 0.852 411 N CB -0.828 37.600 38.487 -0.099 0.000 1.003 411 N HN -0.105 8.199 8.380 -0.128 0.000 0.424 412 A N -0.248 122.520 122.820 -0.086 0.000 1.873 412 A HA -0.164 4.112 4.320 -0.074 0.000 0.215 412 A C 1.787 179.363 177.584 -0.015 0.000 1.186 412 A CA 2.998 54.998 52.037 -0.062 0.000 0.616 412 A CB -0.758 18.202 19.000 -0.067 0.000 0.823 412 A HN -0.321 7.782 8.150 -0.079 0.000 0.442 413 A N -1.212 121.629 122.820 0.035 0.000 1.902 413 A HA -0.438 4.044 4.320 0.272 0.000 0.217 413 A C 1.470 179.238 177.584 0.307 0.000 1.181 413 A CA 3.287 55.464 52.037 0.232 0.000 0.623 413 A CB -0.770 18.429 19.000 0.331 0.000 0.818 413 A HN -0.158 7.992 8.150 0.001 0.000 0.443 414 K N -0.462 119.910 120.400 -0.046 0.000 2.057 414 K HA -0.269 4.288 4.320 0.395 0.000 0.207 414 K C 2.031 178.729 176.600 0.162 0.000 1.049 414 K CA 3.047 59.343 56.287 0.014 0.000 0.931 414 K CB 0.078 32.309 32.500 -0.447 0.000 0.714 414 K HN 0.099 8.192 8.250 -0.263 0.000 0.440 415 A N -0.457 122.384 122.820 0.035 0.000 1.902 415 A HA -0.255 4.091 4.320 0.043 0.000 0.217 415 A C 2.008 179.593 177.584 0.002 0.000 1.181 415 A CA 3.018 55.067 52.037 0.020 0.000 0.623 415 A CB -0.720 18.261 19.000 -0.031 0.000 0.818 415 A HN -0.272 7.866 8.150 -0.020 0.000 0.443 416 L N -1.722 119.470 121.223 -0.051 0.000 2.005 416 L HA -0.281 3.941 4.340 -0.197 0.000 0.207 416 L C 2.065 178.766 176.870 -0.282 0.000 1.072 416 L CA 3.285 57.989 54.840 -0.227 0.000 0.744 416 L CB -0.570 41.267 42.059 -0.370 0.000 0.895 416 L HN -0.649 7.568 8.230 -0.021 0.000 0.433 417 F N -2.517 117.492 119.950 0.098 0.000 2.407 417 F HA -0.328 4.173 4.527 -0.043 0.000 0.299 417 F C 2.172 178.013 175.800 0.068 0.000 1.097 417 F CA 3.753 61.803 58.000 0.082 0.000 1.422 417 F CB -0.650 38.498 39.000 0.246 0.000 1.067 417 F HN -0.128 8.271 8.300 0.165 0.000 0.539 418 D N 0.110 120.674 120.400 0.273 0.000 2.144 418 D HA -0.285 4.434 4.640 0.130 0.000 0.199 418 D C 2.393 178.721 176.300 0.046 0.000 0.984 418 D CA 3.620 57.716 54.000 0.159 0.000 0.834 418 D CB -0.709 40.201 40.800 0.184 0.000 0.955 418 D HN 0.238 8.780 8.370 0.318 0.019 0.465 419 R N -0.657 119.845 120.500 0.005 0.000 2.081 419 R HA -0.289 4.043 4.340 -0.013 0.000 0.235 419 R C 2.580 178.859 176.300 -0.035 0.000 1.131 419 R CA 3.350 59.433 56.100 -0.029 0.000 0.960 419 R CB -0.098 30.162 30.300 -0.067 0.000 0.856 419 R HN -0.749 7.522 8.270 0.001 0.000 0.436 420 I N -0.559 119.978 120.570 -0.054 0.000 2.202 420 I HA -0.473 3.676 4.170 -0.035 0.000 0.242 420 I C 1.596 177.699 176.117 -0.023 0.000 1.091 420 I CA 3.891 65.168 61.300 -0.037 0.000 1.368 420 I CB -0.267 37.710 38.000 -0.038 0.000 1.058 420 I HN -0.672 7.414 8.210 -0.072 0.081 0.410 421 N N -0.322 118.348 118.700 -0.051 0.000 2.120 421 N HA -0.231 4.449 4.740 -0.100 0.000 0.188 421 N C 2.471 177.965 175.510 -0.026 0.000 1.024 421 N CA 2.546 55.542 53.050 -0.089 0.000 0.852 421 N CB -0.343 38.026 38.487 -0.196 0.000 1.003 421 N HN -0.111 8.241 8.380 -0.047 0.000 0.424 422 K N 0.650 121.047 120.400 -0.005 0.000 2.057 422 K HA -0.295 4.039 4.320 0.024 0.000 0.207 422 K C 2.242 178.859 176.600 0.029 0.000 1.049 422 K CA 2.929 59.226 56.287 0.018 0.000 0.931 422 K CB -0.029 32.482 32.500 0.019 0.000 0.714 422 K HN -0.145 8.100 8.250 -0.009 0.000 0.440 423 A N -2.542 120.291 122.820 0.023 0.000 2.015 423 A HA -0.118 4.223 4.320 0.035 0.000 0.219 423 A C 0.995 178.622 177.584 0.071 0.000 1.163 423 A CA 2.323 54.382 52.037 0.036 0.000 0.646 423 A CB -0.015 18.999 19.000 0.022 0.000 0.806 423 A HN -0.346 7.810 8.150 0.011 0.000 0.448 424 N N -4.788 113.961 118.700 0.082 0.000 2.184 424 N HA 0.042 4.907 4.740 0.210 0.000 0.206 424 N C -0.027 175.617 175.510 0.223 0.000 1.151 424 N CA 0.121 53.268 53.050 0.162 0.000 0.878 424 N CB 2.113 40.660 38.487 0.099 0.000 1.014 424 N HN -0.681 7.581 8.380 0.051 0.149 0.512 425 G N 0.619 109.499 108.800 0.132 0.000 2.249 425 G HA2 -0.450 3.568 3.960 0.096 0.000 0.273 425 G HA3 -0.450 3.631 3.960 0.202 0.000 0.273 425 G C -1.086 173.876 174.900 0.103 0.000 1.036 425 G CA 1.100 46.287 45.100 0.144 0.000 0.824 425 G HN -0.089 8.255 8.290 0.089 0.000 0.504 426 T N -3.022 111.506 114.554 -0.043 0.000 2.948 426 T HA 0.245 4.501 4.350 -0.157 0.000 0.285 426 T C -1.337 173.288 174.700 -0.125 0.000 1.019 426 T CA -1.858 60.145 62.100 -0.161 0.000 1.013 426 T CB 2.838 71.526 68.868 -0.301 0.000 1.117 426 T HN -0.767 7.422 8.240 -0.039 0.027 0.533 427 I N -5.623 114.874 120.570 -0.122 0.000 2.957 427 I HA 0.492 4.575 4.170 -0.144 0.000 0.310 427 I C -1.743 174.281 176.117 -0.155 0.000 1.063 427 I CA -2.682 58.564 61.300 -0.090 0.000 1.033 427 I CB 3.370 41.417 38.000 0.079 0.000 1.230 427 I HN 0.116 8.252 8.210 -0.124 0.000 0.447 428 Y N -0.523 119.755 120.300 -0.037 0.000 2.426 428 Y HA -0.056 4.504 4.550 -0.210 -0.135 0.344 428 Y C 0.870 176.619 175.900 -0.251 0.000 1.256 428 Y CA 1.474 59.417 58.100 -0.263 0.000 1.451 428 Y CB 0.623 38.702 38.460 -0.636 0.000 1.342 428 Y HN 0.102 8.346 8.280 -0.060 0.000 0.600 429 R N -0.421 120.024 120.500 -0.091 0.000 2.539 429 R HA 0.075 4.433 4.340 0.030 0.000 0.275 429 R C -0.258 175.846 176.300 -0.326 0.000 1.077 429 R CA -0.804 55.237 56.100 -0.099 0.000 1.097 429 R CB 0.629 30.882 30.300 -0.079 0.000 1.018 429 R HN -0.075 8.159 8.270 -0.061 0.000 0.483 430 Y N -1.181 119.111 120.300 -0.013 0.000 2.527 430 Y HA 0.052 4.594 4.550 -0.015 0.000 0.247 430 Y C -0.484 175.388 175.900 -0.047 0.000 1.138 430 Y CA 1.054 59.145 58.100 -0.014 0.000 1.228 430 Y CB 1.502 39.977 38.460 0.024 0.000 1.252 430 Y HN 0.346 8.730 8.280 0.174 0.000 0.531 431 D N -1.339 119.068 120.400 0.011 0.000 2.440 431 D HA 0.184 4.823 4.640 -0.002 0.000 0.216 431 D C 0.588 176.785 176.300 -0.172 0.000 1.150 431 D CA -0.378 53.595 54.000 -0.044 0.000 0.832 431 D CB -1.088 39.695 40.800 -0.029 0.000 0.992 431 D HN -0.049 8.309 8.370 -0.020 0.000 0.502 432 L N -1.655 119.344 121.223 -0.373 0.000 2.446 432 L HA 0.007 4.135 4.340 -0.353 0.000 0.219 432 L C -0.786 175.752 176.870 -0.553 0.000 1.116 432 L CA 1.579 56.075 54.840 -0.572 0.000 0.844 432 L CB 0.186 41.679 42.059 -0.943 0.000 0.970 432 L HN -0.332 7.653 8.230 -0.409 0.000 0.457 433 F N -4.531 115.392 119.950 -0.045 0.000 2.818 433 F HA 0.013 4.494 4.527 -0.076 0.000 0.369 433 F C -0.652 175.095 175.800 -0.088 0.000 1.327 433 F CA -0.875 57.084 58.000 -0.070 0.000 1.211 433 F CB -0.149 38.818 39.000 -0.054 0.000 1.036 433 F HN -0.272 7.844 8.300 -0.223 0.051 0.510 434 G N -0.390 108.394 108.800 -0.027 0.000 2.497 434 G HA2 -0.201 3.648 3.960 -0.185 0.000 0.686 434 G HA3 -0.201 3.737 3.960 -0.037 0.000 0.686 434 G C -0.845 174.037 174.900 -0.030 0.000 1.288 434 G CA -0.762 44.293 45.100 -0.076 0.000 0.899 434 G HN -0.799 7.456 8.290 -0.059 0.000 0.608 435 T N -5.422 109.112 114.554 -0.034 0.000 3.023 435 T HA -0.253 4.093 4.350 -0.005 0.000 0.266 435 T C 0.313 175.024 174.700 0.018 0.000 1.093 435 T CA 0.755 62.852 62.100 -0.005 0.000 1.129 435 T CB 0.024 68.889 68.868 -0.005 0.000 0.899 435 T HN 0.175 8.383 8.240 -0.052 0.000 0.491 436 Q N 0.639 120.456 119.800 0.028 0.000 2.352 436 Q HA -0.028 4.332 4.340 0.034 0.000 0.260 436 Q C -0.714 175.332 176.000 0.077 0.000 0.976 436 Q CA -0.386 55.444 55.803 0.045 0.000 0.881 436 Q CB 0.180 28.945 28.738 0.045 0.000 1.235 436 Q HN -0.288 7.972 8.270 0.021 0.023 0.419 437 L N 1.664 122.936 121.223 0.083 0.000 2.700 437 L HA -0.225 4.375 4.340 0.183 -0.150 0.272 437 L C 0.602 177.604 176.870 0.220 0.000 1.176 437 L CA 0.677 55.604 54.840 0.144 0.000 0.961 437 L CB -0.565 41.521 42.059 0.045 0.000 1.249 437 L HN 0.164 8.427 8.230 0.054 0.000 0.487 438 K N 6.201 126.768 120.400 0.278 0.000 2.695 438 K HA 0.192 4.667 4.320 0.259 0.000 0.255 438 K C -1.409 175.308 176.600 0.195 0.000 1.016 438 K CA -0.569 55.869 56.287 0.251 0.000 0.928 438 K CB 2.688 35.318 32.500 0.217 0.000 1.235 438 K HN 0.073 8.494 8.250 0.285 0.000 0.467 439 A N 3.300 126.133 122.820 0.022 0.000 2.132 439 A HA 0.112 4.321 4.320 -0.433 -0.149 0.213 439 A C -1.239 175.988 177.584 -0.596 0.000 1.154 439 A CA 0.823 52.574 52.037 -0.476 0.000 0.753 439 A CB 0.793 19.143 19.000 -1.083 0.000 0.826 439 A HN 0.351 8.589 8.150 0.147 0.000 0.469 440 F N -2.710 117.235 119.950 -0.009 0.000 2.499 440 F HA 0.539 5.210 4.527 -0.057 -0.179 0.333 440 F C -1.054 174.653 175.800 -0.155 0.000 1.138 440 F CA -1.971 55.988 58.000 -0.068 0.000 0.945 440 F CB 2.893 41.848 39.000 -0.075 0.000 1.181 440 F HN -0.575 7.777 8.300 0.161 0.044 0.435 441 A N 4.328 126.921 122.820 -0.378 0.000 2.404 441 A HA 0.067 4.173 4.320 -0.355 0.000 0.273 441 A C -1.127 176.480 177.584 0.038 0.000 1.144 441 A CA -0.121 51.638 52.037 -0.464 0.000 0.806 441 A CB 0.645 18.940 19.000 -1.175 0.000 1.080 441 A HN 0.543 8.378 8.150 -0.525 0.000 0.509 442 D N 0.289 120.750 120.400 0.101 0.000 2.563 442 D HA 0.114 4.828 4.640 0.122 0.000 0.237 442 D C -1.228 175.169 176.300 0.161 0.000 1.282 442 D CA -1.248 52.834 54.000 0.136 0.000 0.816 442 D CB 1.353 42.231 40.800 0.130 0.000 1.066 442 D HN 0.259 8.669 8.370 0.067 0.000 0.501 443 D N -4.443 116.071 120.400 0.190 0.000 2.785 443 D HA 0.095 4.858 4.640 0.205 0.000 0.324 443 D C -1.871 174.575 176.300 0.243 0.000 1.523 443 D CA -0.700 53.421 54.000 0.202 0.000 0.789 443 D CB -0.893 40.022 40.800 0.192 0.000 1.171 443 D HN -0.410 8.103 8.370 0.238 0.000 0.447 444 F N 0.050 120.031 119.950 0.052 0.000 2.631 444 F HA 0.847 5.717 4.527 0.218 -0.212 0.328 444 F C -1.598 174.232 175.800 0.050 0.000 1.067 444 F CA -2.020 56.048 58.000 0.114 0.000 0.969 444 F CB 1.348 40.380 39.000 0.054 0.000 1.332 444 F HN -0.666 7.713 8.300 0.131 0.000 0.490 445 C N 0.627 119.831 119.300 -0.159 0.000 3.284 445 C HA 0.492 4.568 4.460 -0.640 0.000 0.338 445 C C -1.700 173.456 174.990 0.278 0.000 1.237 445 C CA -0.643 58.108 59.018 -0.445 0.000 1.276 445 C CB 1.756 29.305 27.740 -0.319 0.000 1.601 445 C HN 0.090 nan 8.230 nan 0.000 0.494 446 Y N -0.985 119.316 120.300 0.002 0.000 2.481 446 Y HA 0.209 4.916 4.550 0.263 0.000 0.258 446 Y C -0.105 175.925 175.900 0.217 0.000 1.103 446 Y CA -2.177 55.996 58.100 0.123 0.000 1.287 446 Y CB 1.215 39.700 38.460 0.042 0.000 1.108 446 Y HN 0.072 8.500 8.280 -0.190 -0.262 0.529 447 H N -1.439 117.748 119.070 0.196 0.000 2.317 447 H HA 0.359 4.986 4.556 0.119 0.000 0.231 447 H C -2.780 172.547 175.328 -0.001 0.000 1.442 447 H CA -3.766 52.333 56.048 0.084 0.000 1.336 447 H CB 0.603 30.373 29.762 0.013 0.000 1.533 447 H HN -0.799 7.680 8.280 0.047 -0.171 0.522 448 P HA 0.022 4.418 4.420 -0.040 0.000 0.271 448 P C -2.114 175.206 177.300 0.033 0.000 1.220 448 P CA 0.086 63.297 63.100 0.186 0.000 0.768 448 P CB 0.776 32.816 31.700 0.567 0.000 0.848 449 L N 2.029 123.065 121.223 -0.312 0.000 2.436 449 L HA 0.370 4.834 4.340 -0.036 -0.146 0.268 449 L C -0.658 176.083 176.870 -0.214 0.000 0.974 449 L CA -0.902 53.827 54.840 -0.185 0.000 0.826 449 L CB 3.421 45.370 42.059 -0.183 0.000 1.291 449 L HN 0.044 7.810 8.230 -0.773 0.000 0.406 450 G N 1.623 110.443 108.800 0.034 0.000 2.566 450 G HA2 -0.324 3.893 3.960 0.088 0.000 0.599 450 G HA3 -0.324 3.874 3.960 0.091 -0.184 0.599 450 G C -0.822 174.281 174.900 0.338 0.000 1.292 450 G CA -0.212 44.966 45.100 0.129 0.000 0.922 450 G HN 0.510 8.835 8.290 0.058 0.000 0.514 451 G N -3.597 105.397 108.800 0.323 0.000 2.307 451 G HA2 -0.388 3.889 3.960 0.402 0.000 0.210 451 G HA3 -0.388 3.733 3.960 0.269 0.000 0.210 451 G C -1.449 173.529 174.900 0.130 0.000 1.005 451 G CA 0.682 45.960 45.100 0.297 0.000 0.634 451 G HN -0.220 8.229 8.290 0.265 0.000 0.496 452 C N 1.287 120.639 119.300 0.087 0.000 3.370 452 C HA 0.344 4.831 4.460 0.046 0.000 0.190 452 C C -1.090 173.923 174.990 0.038 0.000 1.647 452 C CA -0.718 58.327 59.018 0.045 0.000 1.277 452 C CB -0.452 27.296 27.740 0.013 0.000 2.037 452 C HN -0.207 8.011 8.230 0.099 0.071 0.537 453 V N 2.189 122.129 119.914 0.044 0.000 2.655 453 V HA -0.144 4.040 4.120 0.016 -0.054 0.300 453 V C -0.072 176.022 176.094 0.001 0.000 1.044 453 V CA 0.195 62.508 62.300 0.021 0.000 1.095 453 V CB 0.458 32.294 31.823 0.023 0.000 0.952 453 V HN 0.079 8.303 8.190 0.058 0.000 0.485 454 L N 7.170 128.381 121.223 -0.021 0.000 2.584 454 L HA -0.257 4.068 4.340 -0.025 0.000 0.272 454 L C 0.584 177.427 176.870 -0.045 0.000 1.195 454 L CA 1.392 56.209 54.840 -0.039 0.000 0.920 454 L CB -0.221 41.795 42.059 -0.073 0.000 1.173 454 L HN 0.040 8.149 8.230 -0.026 0.105 0.489 455 G N 4.424 113.206 108.800 -0.029 0.000 2.195 455 G HA2 -0.372 3.622 3.960 -0.018 0.000 0.246 455 G HA3 -0.372 3.566 3.960 -0.038 0.000 0.246 455 G C -0.341 174.555 174.900 -0.006 0.000 0.984 455 G CA 0.789 45.875 45.100 -0.024 0.000 0.633 455 G HN -0.077 8.201 8.290 -0.018 0.000 0.525 456 K N -0.190 120.211 120.400 0.001 0.000 2.363 456 K HA 0.198 4.525 4.320 0.011 0.000 0.215 456 K C 0.293 176.907 176.600 0.022 0.000 1.179 456 K CA 0.169 56.464 56.287 0.013 0.000 0.856 456 K CB 1.361 33.870 32.500 0.016 0.000 1.371 456 K HN -0.141 8.030 8.250 -0.001 0.078 0.455 457 A N -1.527 121.309 122.820 0.026 0.000 2.123 457 A HA 0.111 4.625 4.320 0.033 -0.173 0.214 457 A C -0.702 176.900 177.584 0.029 0.000 1.152 457 A CA 1.202 53.257 52.037 0.030 0.000 0.728 457 A CB 1.504 20.523 19.000 0.032 0.000 0.814 457 A HN -0.334 7.831 8.150 0.025 0.000 0.464 458 T N -7.809 106.760 114.554 0.026 0.000 2.838 458 T HA 0.752 5.329 4.350 0.039 -0.203 0.292 458 T C -1.473 173.248 174.700 0.035 0.000 1.113 458 T CA -3.227 58.894 62.100 0.035 0.000 1.008 458 T CB 2.872 71.763 68.868 0.038 0.000 1.259 458 T HN -0.807 7.390 8.240 0.021 0.055 0.520 459 D N -1.062 119.374 120.400 0.060 0.000 2.398 459 D HA -0.085 4.583 4.640 0.046 0.000 0.264 459 D C 1.174 177.489 176.300 0.025 0.000 1.263 459 D CA -0.966 53.074 54.000 0.067 0.000 1.037 459 D CB 0.608 41.481 40.800 0.122 0.000 1.101 459 D HN 0.123 8.539 8.370 0.075 0.000 0.551 460 D N -3.497 116.893 120.400 -0.017 0.000 2.363 460 D HA -0.106 4.423 4.640 -0.186 0.000 0.226 460 D C -0.483 175.504 176.300 -0.522 0.000 1.020 460 D CA 2.010 55.863 54.000 -0.245 0.000 0.892 460 D CB -0.603 40.009 40.800 -0.313 0.000 0.900 460 D HN 0.392 8.792 8.370 0.050 0.000 0.531 461 Y N -2.840 117.472 120.300 0.020 0.000 2.641 461 Y HA 0.263 5.011 4.550 -0.018 -0.208 0.248 461 Y C 0.192 176.113 175.900 0.036 0.000 1.170 461 Y CA -1.626 56.479 58.100 0.008 0.000 1.201 461 Y CB 1.010 39.472 38.460 0.003 0.000 1.232 461 Y HN -0.380 8.221 8.280 0.135 -0.240 0.537 462 G N -0.960 107.916 108.800 0.126 0.000 2.143 462 G HA2 -0.436 3.569 3.960 0.076 0.000 0.249 462 G HA3 -0.436 3.741 3.960 0.124 -0.143 0.249 462 G C -0.566 174.442 174.900 0.179 0.000 0.981 462 G CA -0.006 45.168 45.100 0.123 0.000 0.665 462 G HN -0.520 7.851 8.290 0.077 -0.035 0.528 463 R N 0.561 121.192 120.500 0.218 0.000 2.370 463 R HA 0.032 4.620 4.340 0.187 -0.136 0.309 463 R C 0.352 176.684 176.300 0.053 0.000 1.059 463 R CA -0.062 56.141 56.100 0.171 0.000 0.981 463 R CB 0.194 30.609 30.300 0.192 0.000 0.972 463 R HN -0.354 8.293 8.270 0.228 -0.241 0.437 464 V N 5.864 125.762 119.914 -0.027 0.000 2.529 464 V HA -0.257 3.872 4.120 0.016 0.000 0.292 464 V C -0.506 175.622 176.094 0.057 0.000 1.028 464 V CA 1.396 63.698 62.300 0.003 0.000 1.074 464 V CB 0.316 32.109 31.823 -0.050 0.000 0.958 464 V HN 0.225 8.347 8.190 -0.114 0.000 0.481 465 A N 7.228 130.083 122.820 0.058 0.000 2.511 465 A HA -0.160 4.178 4.320 0.031 0.000 0.242 465 A C 0.486 178.101 177.584 0.052 0.000 1.069 465 A CA 1.663 53.727 52.037 0.044 0.000 0.763 465 A CB -0.021 18.998 19.000 0.031 0.000 1.001 465 A HN 0.054 8.233 8.150 0.050 0.000 0.498 466 G N 1.837 110.606 108.800 -0.051 0.000 2.213 466 G HA2 -0.230 3.582 3.960 -0.247 0.000 0.236 466 G HA3 -0.230 3.731 3.960 -0.261 -0.158 0.236 466 G C -0.926 173.615 174.900 -0.599 0.000 0.991 466 G CA 0.294 45.236 45.100 -0.263 0.000 0.629 466 G HN 0.354 8.617 8.290 -0.045 0.000 0.517 467 Y N -0.979 119.312 120.300 -0.014 0.000 2.553 467 Y HA 0.158 4.726 4.550 0.030 0.000 0.347 467 Y C -1.136 174.749 175.900 -0.025 0.000 1.019 467 Y CA -0.995 57.108 58.100 0.006 0.000 1.032 467 Y CB 3.740 42.209 38.460 0.016 0.000 1.284 467 Y HN -0.744 7.490 8.280 0.030 0.063 0.466 468 K N 1.634 122.133 120.400 0.166 0.000 2.138 468 K HA 0.259 4.598 4.320 0.031 0.000 0.263 468 K C -0.358 176.281 176.600 0.066 0.000 0.965 468 K CA -0.867 55.468 56.287 0.079 0.000 0.868 468 K CB 2.232 34.777 32.500 0.074 0.000 1.083 468 K HN 0.584 8.973 8.250 0.231 0.000 0.443 469 N N -1.219 117.416 118.700 -0.107 0.000 2.782 469 N HA -0.424 4.237 4.740 -0.131 0.000 0.251 469 N C -2.415 172.681 175.510 -0.691 0.000 1.101 469 N CA 0.552 53.497 53.050 -0.174 0.000 0.764 469 N CB -0.403 38.206 38.487 0.203 0.000 1.122 469 N HN 0.747 9.073 8.380 -0.090 0.000 0.561 470 L N -2.187 118.385 121.223 -1.085 0.000 2.376 470 L HA 0.719 4.603 4.340 -1.022 -0.157 0.275 470 L C -2.175 174.082 176.870 -1.022 0.000 0.987 470 L CA -0.606 53.622 54.840 -1.021 0.000 0.828 470 L CB 2.867 44.479 42.059 -0.746 0.000 1.249 470 L HN -0.706 6.917 8.230 -0.944 0.040 0.409 471 Y N 3.919 123.988 120.300 -0.385 0.000 2.512 471 Y HA 0.696 5.321 4.550 -0.178 -0.182 0.348 471 Y C -1.370 174.438 175.900 -0.153 0.000 0.990 471 Y CA -2.458 55.475 58.100 -0.279 0.000 1.033 471 Y CB 4.195 42.367 38.460 -0.480 0.000 1.259 471 Y HN 0.698 8.632 8.280 -0.576 0.000 0.461 472 V N 0.514 120.483 119.914 0.091 0.000 2.555 472 V HA 0.441 4.738 4.120 0.064 -0.139 0.302 472 V C -0.081 176.076 176.094 0.104 0.000 1.038 472 V CA -1.085 61.257 62.300 0.069 0.000 0.887 472 V CB 2.352 34.188 31.823 0.021 0.000 0.991 472 V HN 0.572 8.828 8.190 0.109 0.000 0.434 473 T N -1.542 113.070 114.554 0.096 0.000 3.058 473 T HA 0.249 4.650 4.350 0.086 0.000 0.278 473 T C -0.589 174.137 174.700 0.043 0.000 0.974 473 T CA -1.207 60.944 62.100 0.086 0.000 0.893 473 T CB 1.158 70.093 68.868 0.112 0.000 1.138 473 T HN 0.400 8.688 8.240 0.080 0.000 0.529 474 D N 0.432 120.857 120.400 0.042 0.000 2.784 474 D HA 0.160 4.827 4.640 0.045 0.000 0.256 474 D C 0.838 177.164 176.300 0.043 0.000 1.129 474 D CA -1.328 52.699 54.000 0.045 0.000 1.102 474 D CB 1.189 42.019 40.800 0.051 0.000 1.330 474 D HN -0.812 7.583 8.370 0.043 0.000 0.626 475 G N -2.107 106.728 108.800 0.059 0.000 2.535 475 G HA2 -0.275 3.706 3.960 0.035 0.000 0.218 475 G HA3 -0.275 3.727 3.960 0.070 0.000 0.218 475 G C 1.147 176.084 174.900 0.060 0.000 1.122 475 G CA 2.177 47.309 45.100 0.055 0.000 0.769 475 G HN 0.441 8.775 8.290 0.073 0.000 0.549 476 S N 2.752 118.492 115.700 0.066 0.000 2.442 476 S HA -0.249 4.411 4.470 0.117 -0.120 0.236 476 S C 1.428 176.058 174.600 0.051 0.000 1.007 476 S CA 3.408 61.652 58.200 0.073 0.000 0.965 476 S CB -0.386 62.837 63.200 0.039 0.000 0.773 476 S HN -0.318 8.259 8.310 0.060 -0.231 0.504 477 L N -0.066 121.174 121.223 0.028 0.000 2.217 477 L HA -0.047 4.517 4.340 0.011 -0.217 0.211 477 L C 0.055 176.917 176.870 -0.012 0.000 1.107 477 L CA 1.387 56.231 54.840 0.007 0.000 0.783 477 L CB 0.202 42.260 42.059 -0.002 0.000 0.919 477 L HN -0.426 7.775 8.230 0.029 0.046 0.442 478 I N -1.240 119.321 120.570 -0.015 0.000 2.441 478 I HA 0.106 4.237 4.170 -0.064 0.000 0.287 478 I C -1.331 174.756 176.117 -0.050 0.000 1.049 478 I CA -3.446 57.827 61.300 -0.044 0.000 1.381 478 I CB -1.356 36.621 38.000 -0.037 0.000 1.409 478 I HN -0.804 7.364 8.210 0.000 0.042 0.523 479 P HA 0.179 4.585 4.420 -0.024 0.000 0.220 479 P C -0.180 177.087 177.300 -0.055 0.000 1.806 479 P CA -0.545 62.525 63.100 -0.051 0.000 0.976 479 P CB -1.665 29.996 31.700 -0.064 0.000 1.952 480 G N -0.162 108.581 108.800 -0.094 0.000 2.225 480 G HA2 -0.493 3.477 3.960 -0.298 0.000 0.254 480 G HA3 -0.493 3.392 3.960 -0.126 0.000 0.254 480 G C -1.974 172.851 174.900 -0.127 0.000 0.988 480 G CA 0.771 45.771 45.100 -0.166 0.000 0.625 480 G HN 0.377 8.526 8.290 -0.096 0.083 0.527 481 S N -2.032 113.651 115.700 -0.028 0.000 2.548 481 S HA 0.358 5.026 4.470 0.047 -0.169 0.278 481 S C -1.138 173.538 174.600 0.126 0.000 1.150 481 S CA -0.684 57.567 58.200 0.085 0.000 0.907 481 S CB 2.118 65.461 63.200 0.238 0.000 1.108 481 S HN -1.034 7.098 8.310 -0.038 0.155 0.459 482 V N 6.028 126.014 119.914 0.119 0.000 3.382 482 V HA 0.271 4.528 4.120 0.228 0.000 0.296 482 V C -0.474 175.631 176.094 0.018 0.000 1.529 482 V CA -1.656 60.727 62.300 0.138 0.000 1.048 482 V CB 1.660 33.502 31.823 0.031 0.000 0.878 482 V HN 0.761 9.306 8.190 0.060 -0.319 0.442 483 G N -0.207 108.425 108.800 -0.280 0.000 2.179 483 G HA2 -0.250 2.807 3.960 -1.504 0.000 0.260 483 G HA3 -0.250 2.603 3.960 -1.844 0.000 0.260 483 G C -1.586 172.852 174.900 -0.770 0.000 0.977 483 G CA 0.913 45.298 45.100 -1.191 0.000 0.641 483 G HN -0.548 7.847 8.290 -0.108 -0.170 0.533 484 V N -7.906 111.746 119.914 -0.437 0.000 3.226 484 V HA 0.210 3.977 4.120 -0.589 0.000 0.304 484 V C -2.014 173.854 176.094 -0.377 0.000 1.336 484 V CA -3.207 58.810 62.300 -0.472 0.000 1.066 484 V CB 1.968 33.511 31.823 -0.467 0.000 1.087 484 V HN -0.875 7.038 8.190 -0.330 0.079 0.451 485 N N 1.296 119.734 118.700 -0.437 0.000 2.357 485 N HA 0.000 4.318 4.740 -0.704 0.000 0.257 485 N C -0.617 174.574 175.510 -0.532 0.000 1.250 485 N CA 0.586 53.315 53.050 -0.534 0.000 0.862 485 N CB 0.239 38.458 38.487 -0.446 0.000 1.066 485 N HN 0.088 8.180 8.380 -0.481 0.000 0.468 486 P HA 0.110 4.379 4.420 -0.251 0.000 0.245 486 P C 0.263 177.405 177.300 -0.265 0.000 1.203 486 P CA 1.120 64.030 63.100 -0.317 0.000 0.792 486 P CB 0.702 32.261 31.700 -0.236 0.000 0.997 487 F N -2.253 117.466 119.950 -0.385 0.000 2.234 487 F HA -0.191 3.986 4.527 -0.584 0.000 0.299 487 F C 0.965 176.517 175.800 -0.413 0.000 1.087 487 F CA 1.991 59.619 58.000 -0.620 0.000 1.340 487 F CB -1.720 36.528 39.000 -1.253 0.000 1.031 487 F HN -0.046 7.947 8.300 -0.512 0.000 0.500 488 V N 1.098 120.871 119.914 -0.236 0.000 2.343 488 V HA -0.520 3.698 4.120 0.165 0.000 0.247 488 V C 1.894 178.074 176.094 0.144 0.000 1.051 488 V CA 4.688 67.006 62.300 0.029 0.000 1.036 488 V CB -0.583 31.209 31.823 -0.052 0.000 0.654 488 V HN -0.046 7.793 8.190 -0.585 0.000 0.451 489 T N 2.921 117.554 114.554 0.132 0.000 2.708 489 T HA -0.411 4.139 4.350 0.334 0.000 0.266 489 T C 2.079 176.795 174.700 0.026 0.000 1.037 489 T CA 5.069 67.285 62.100 0.193 0.000 1.146 489 T CB -0.306 68.686 68.868 0.208 0.000 0.865 489 T HN -0.802 7.451 8.240 0.022 0.000 0.435 490 I N 1.486 122.052 120.570 -0.007 0.000 2.163 490 I HA -0.568 3.595 4.170 -0.012 0.000 0.243 490 I C 1.743 177.843 176.117 -0.028 0.000 1.085 490 I CA 4.443 65.733 61.300 -0.017 0.000 1.347 490 I CB -0.441 37.552 38.000 -0.012 0.000 1.044 490 I HN -0.377 7.818 8.210 -0.025 0.000 0.408 491 T N 1.974 116.524 114.554 -0.008 0.000 2.708 491 T HA -0.438 3.881 4.350 -0.051 0.000 0.266 491 T C 1.751 176.405 174.700 -0.078 0.000 1.037 491 T CA 5.040 67.131 62.100 -0.015 0.000 1.146 491 T CB -0.229 68.700 68.868 0.101 0.000 0.865 491 T HN -0.285 7.956 8.240 0.001 0.000 0.435 492 A N 2.041 124.783 122.820 -0.130 0.000 1.898 492 A HA -0.190 4.029 4.320 -0.169 0.000 0.216 492 A C 1.659 179.036 177.584 -0.345 0.000 1.181 492 A CA 2.945 54.801 52.037 -0.302 0.000 0.620 492 A CB -0.522 17.992 19.000 -0.811 0.000 0.819 492 A HN -0.016 8.080 8.150 -0.090 0.000 0.442 493 L N -0.517 120.535 121.223 -0.285 0.000 2.046 493 L HA -0.247 3.927 4.340 -0.277 0.000 0.208 493 L C 1.730 178.480 176.870 -0.201 0.000 1.077 493 L CA 2.649 57.356 54.840 -0.221 0.000 0.747 493 L CB -0.446 41.554 42.059 -0.099 0.000 0.896 493 L HN -0.096 7.988 8.230 -0.244 0.000 0.432 494 A N -1.556 121.175 122.820 -0.147 0.000 1.933 494 A HA -0.382 3.883 4.320 -0.092 0.000 0.218 494 A C 2.059 179.550 177.584 -0.155 0.000 1.175 494 A CA 3.346 55.310 52.037 -0.122 0.000 0.628 494 A CB -0.875 18.061 19.000 -0.107 0.000 0.814 494 A HN -0.116 7.956 8.150 -0.131 0.000 0.444 495 E N -1.502 118.596 120.200 -0.171 0.000 2.051 495 E HA -0.376 3.930 4.350 -0.073 0.000 0.192 495 E C 2.454 178.866 176.600 -0.314 0.000 0.991 495 E CA 3.221 59.540 56.400 -0.136 0.000 0.799 495 E CB -0.312 29.386 29.700 -0.004 0.000 0.748 495 E HN -0.307 7.954 8.360 -0.165 0.000 0.449 496 R N -0.980 119.101 120.500 -0.698 0.000 2.083 496 R HA -0.407 2.969 4.340 -1.606 0.000 0.237 496 R C 2.000 178.114 176.300 -0.311 0.000 1.137 496 R CA 3.571 59.047 56.100 -1.039 0.000 0.951 496 R CB -0.101 29.541 30.300 -1.096 0.000 0.851 496 R HN -0.322 7.561 8.270 -0.645 0.000 0.434 497 N N -0.925 117.680 118.700 -0.157 0.000 2.106 497 N HA -0.229 4.651 4.740 0.234 0.000 0.188 497 N C 2.324 177.814 175.510 -0.033 0.000 1.029 497 N CA 2.963 56.033 53.050 0.033 0.000 0.848 497 N CB -0.247 38.259 38.487 0.032 0.000 1.007 497 N HN -0.233 8.019 8.380 -0.214 0.000 0.423 498 V N 1.181 121.046 119.914 -0.082 0.000 2.515 498 V HA -0.508 3.558 4.120 -0.090 0.000 0.250 498 V C 0.937 176.962 176.094 -0.114 0.000 1.058 498 V CA 3.855 66.092 62.300 -0.105 0.000 1.064 498 V CB 0.048 31.781 31.823 -0.151 0.000 0.675 498 V HN -0.001 8.130 8.190 -0.098 0.000 0.461 499 E N 0.198 120.343 120.200 -0.092 0.000 2.085 499 E HA -0.435 3.881 4.350 -0.057 0.000 0.194 499 E C 1.975 178.523 176.600 -0.086 0.000 0.994 499 E CA 3.629 59.994 56.400 -0.059 0.000 0.801 499 E CB -0.227 29.481 29.700 0.013 0.000 0.743 499 E HN -0.636 7.664 8.360 -0.100 0.000 0.453 500 R N -1.015 119.410 120.500 -0.125 0.000 2.066 500 R HA -0.202 4.023 4.340 -0.192 0.000 0.232 500 R C 2.428 178.593 176.300 -0.225 0.000 1.131 500 R CA 2.134 58.094 56.100 -0.234 0.000 0.955 500 R CB -0.705 29.284 30.300 -0.518 0.000 0.851 500 R HN -0.782 7.423 8.270 -0.108 0.000 0.432 501 I N -0.575 119.873 120.570 -0.204 0.000 2.226 501 I HA -0.508 3.556 4.170 -0.177 0.000 0.245 501 I C 1.962 177.974 176.117 -0.175 0.000 1.100 501 I CA 4.529 65.702 61.300 -0.213 0.000 1.374 501 I CB -0.019 37.755 38.000 -0.377 0.000 1.057 501 I HN -0.194 7.908 8.210 -0.181 0.000 0.413 502 I N -0.998 119.476 120.570 -0.160 0.000 2.226 502 I HA -0.603 3.462 4.170 -0.175 0.000 0.245 502 I C 2.304 178.360 176.117 -0.101 0.000 1.100 502 I CA 4.222 65.436 61.300 -0.143 0.000 1.374 502 I CB -0.454 37.469 38.000 -0.129 0.000 1.057 502 I HN -0.080 8.037 8.210 -0.155 0.000 0.413 503 K N -0.412 119.934 120.400 -0.089 0.000 2.057 503 K HA -0.318 3.972 4.320 -0.049 0.000 0.207 503 K C 2.033 178.600 176.600 -0.054 0.000 1.049 503 K CA 2.869 59.118 56.287 -0.064 0.000 0.931 503 K CB 0.028 32.490 32.500 -0.064 0.000 0.714 503 K HN -0.667 7.523 8.250 -0.099 0.000 0.440 504 Q N -3.754 116.004 119.800 -0.070 0.000 2.339 504 Q HA -0.000 4.322 4.340 -0.030 0.000 0.205 504 Q C 1.278 177.280 176.000 0.004 0.000 0.925 504 Q CA 1.584 57.362 55.803 -0.042 0.000 0.898 504 Q CB 0.580 29.276 28.738 -0.069 0.000 1.013 504 Q HN -0.304 7.908 8.270 -0.097 0.000 0.504 505 D N -2.012 118.394 120.400 0.009 0.000 2.455 505 D HA 0.196 4.907 4.640 0.117 0.000 0.228 505 D C 1.130 177.491 176.300 0.101 0.000 1.070 505 D CA 1.806 55.861 54.000 0.092 0.000 0.881 505 D CB 1.440 42.343 40.800 0.171 0.000 1.087 505 D HN 0.034 8.384 8.370 -0.033 0.000 0.498 506 V N -1.888 118.004 119.914 -0.037 0.000 2.672 506 V HA -0.078 3.984 4.120 -0.097 0.000 0.242 506 V C 0.286 176.391 176.094 0.018 0.000 1.059 506 V CA 1.745 63.968 62.300 -0.128 0.000 1.081 506 V CB 1.110 32.711 31.823 -0.371 0.000 0.752 506 V HN -0.695 7.455 8.190 -0.066 0.000 0.472 507 T N 0.000 114.555 114.554 0.002 0.000 3.816 507 T HA 0.000 3.966 4.350 -0.640 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