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 1son_1_A DATA FIRST_RESID 1 DATA SEQUENCE GNNVVVLGTQ WGDEGKGKIV DLLTERAKYV VRYQGGHNAG HTLVINGEKT DATA SEQUENCE VLHLIPSGIL RENVTSIIGN GVVLSPAALM KEMKELEDRG IPVRERLLLS DATA SEQUENCE EACPLILDYH VALDNAREKA RGAKAIGTTG RGIGPAYEDK VARRGLRVGD DATA SEQUENCE LFDKETFAEK LKEVMEYHNF QLVNYYKAEA VDYQKVLDDT MAVADILTSM DATA SEQUENCE VVDVSDLLDQ ARQRGDFVMF EGAQGTLLDI DHGTYPYVTS SNTTAGGVAT DATA SEQUENCE GSGLGPRYVD YVLGILKAYS TRVGAGPFPT ELFDETGEFL CKQGNEFGAT DATA SEQUENCE TGRRRRTGWL DTVAVRRAVQ LNSLSGFCLT KLDVLDGLKE VKLCVAYRMP DATA SEQUENCE DGREVTTTPL AADDWKGVEP IYETMPGWSE STFGVKDRSG LPQAALNYIK DATA SEQUENCE RIEELTGVPI DIISTGPDRT ETMILRDPFD A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.871 174.900 -0.048 0.000 0.946 1 G CA 0.000 45.069 45.100 -0.051 0.000 0.502 2 N N 0.577 119.320 118.700 0.073 0.000 2.594 2 N HA 0.117 4.857 4.740 -0.000 0.000 0.237 2 N C -0.002 175.673 175.510 0.274 0.000 1.057 2 N CA 0.135 53.303 53.050 0.195 0.000 0.883 2 N CB 0.584 39.218 38.487 0.244 0.000 1.538 2 N HN 0.360 nan 8.380 nan 0.000 0.451 3 N N 0.532 119.371 118.700 0.231 0.000 2.476 3 N HA 0.309 5.049 4.740 -0.000 0.000 0.257 3 N C -1.482 174.150 175.510 0.204 0.000 0.970 3 N CA -0.144 53.083 53.050 0.294 0.000 0.938 3 N CB 2.061 40.734 38.487 0.309 0.000 1.144 3 N HN -0.175 nan 8.380 nan 0.000 0.500 4 V N 2.537 122.562 119.914 0.185 0.000 2.417 4 V HA 0.426 4.545 4.120 -0.000 0.000 0.291 4 V C 0.096 176.302 176.094 0.187 0.000 1.024 4 V CA -0.776 61.547 62.300 0.038 0.000 0.861 4 V CB 1.984 33.563 31.823 -0.406 0.000 0.985 4 V HN 0.245 nan 8.190 nan 0.000 0.436 5 V N 5.552 125.566 119.914 0.167 0.000 2.532 5 V HA 0.499 4.619 4.120 -0.000 0.000 0.295 5 V C -0.161 176.031 176.094 0.162 0.000 1.041 5 V CA -0.562 61.856 62.300 0.197 0.000 0.926 5 V CB 1.989 33.847 31.823 0.059 0.000 0.992 5 V HN 0.569 nan 8.190 nan 0.000 0.457 6 V N 6.200 126.235 119.914 0.201 0.000 2.376 6 V HA 0.569 4.689 4.120 -0.000 0.000 0.287 6 V C -0.598 175.597 176.094 0.168 0.000 1.015 6 V CA -0.358 62.027 62.300 0.142 0.000 0.834 6 V CB 1.292 33.174 31.823 0.098 0.000 1.001 6 V HN 0.749 nan 8.190 nan 0.000 0.428 7 L N 3.536 124.838 121.223 0.131 0.000 2.359 7 L HA 1.039 5.379 4.340 -0.000 0.000 0.256 7 L C 0.265 177.188 176.870 0.087 0.000 1.026 7 L CA -0.804 54.116 54.840 0.134 0.000 0.828 7 L CB 1.282 43.439 42.059 0.163 0.000 1.406 7 L HN 0.482 nan 8.230 nan 0.000 0.413 8 G N -0.797 108.048 108.800 0.075 0.000 2.353 8 G HA2 0.474 4.434 3.960 -0.000 0.000 0.284 8 G HA3 0.474 4.434 3.960 -0.000 0.000 0.284 8 G C 0.249 175.166 174.900 0.029 0.000 1.172 8 G CA -0.048 45.081 45.100 0.048 0.000 0.854 8 G HN 0.787 nan 8.290 nan 0.000 0.485 9 T N 1.869 116.441 114.554 0.031 0.000 3.055 9 T HA 0.000 4.350 4.350 -0.000 0.000 0.265 9 T C 1.560 176.204 174.700 -0.093 0.000 1.111 9 T CA 1.185 63.296 62.100 0.018 0.000 1.118 9 T CB 0.086 69.010 68.868 0.095 0.000 0.909 9 T HN 0.598 nan 8.240 nan 0.000 0.501 10 Q N -1.012 118.717 119.800 -0.118 0.000 3.079 10 Q HA 0.308 4.648 4.340 -0.000 0.000 0.210 10 Q C 0.207 176.007 176.000 -0.332 0.000 1.169 10 Q CA -0.568 55.078 55.803 -0.262 0.000 0.315 10 Q CB 0.728 29.423 28.738 -0.072 0.000 5.815 10 Q HN 0.339 nan 8.270 nan 0.000 0.311 11 W N 1.142 122.389 121.300 -0.089 0.000 2.570 11 W HA 0.480 5.140 4.660 -0.000 0.000 0.410 11 W C 0.017 176.487 176.519 -0.083 0.000 0.889 11 W CA 0.571 57.849 57.345 -0.111 0.000 2.386 11 W CB 0.537 29.866 29.460 -0.218 0.000 1.228 11 W HN 0.764 nan 8.180 nan 0.000 0.692 12 G N 1.411 110.274 108.800 0.106 0.000 2.685 12 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.387 12 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.387 12 G C 0.112 175.046 174.900 0.055 0.000 1.324 12 G CA -0.296 44.852 45.100 0.080 0.000 0.878 12 G HN 0.147 nan 8.290 nan 0.000 0.527 13 D N -1.044 119.386 120.400 0.050 0.000 3.012 13 D HA -0.159 4.481 4.640 -0.000 0.000 0.222 13 D C 1.251 177.541 176.300 -0.017 0.000 1.167 13 D CA 1.769 55.783 54.000 0.023 0.000 0.854 13 D CB -0.771 40.038 40.800 0.014 0.000 1.107 13 D HN 0.731 nan 8.370 nan 0.000 0.421 14 E N -0.016 120.175 120.200 -0.015 0.000 2.435 14 E HA 0.289 4.639 4.350 -0.000 0.000 0.195 14 E C 1.575 178.150 176.600 -0.041 0.000 1.029 14 E CA 0.846 57.221 56.400 -0.042 0.000 0.865 14 E CB 0.162 29.848 29.700 -0.024 0.000 0.833 14 E HN 0.447 nan 8.360 nan 0.000 0.510 15 G N 1.116 109.890 108.800 -0.043 0.000 2.288 15 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.205 15 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.205 15 G C 0.556 175.387 174.900 -0.115 0.000 1.071 15 G CA 0.201 45.265 45.100 -0.060 0.000 0.788 15 G HN 0.196 nan 8.290 nan 0.000 0.491 16 K N -0.169 120.107 120.400 -0.207 0.000 2.057 16 K HA 0.025 4.345 4.320 -0.000 0.000 0.206 16 K C 2.814 179.176 176.600 -0.395 0.000 1.050 16 K CA 1.182 57.287 56.287 -0.302 0.000 0.935 16 K CB -0.181 32.111 32.500 -0.346 0.000 0.715 16 K HN 0.446 nan 8.250 nan 0.000 0.439 17 G N 2.520 110.980 108.800 -0.567 0.000 2.491 17 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.218 17 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.218 17 G C 1.452 176.283 174.900 -0.115 0.000 1.180 17 G CA 1.233 46.152 45.100 -0.301 0.000 0.774 17 G HN 0.288 nan 8.290 nan 0.000 0.562 18 K N 0.070 120.418 120.400 -0.087 0.000 2.032 18 K HA -0.114 4.205 4.320 -0.000 0.000 0.209 18 K C 2.405 178.985 176.600 -0.034 0.000 1.048 18 K CA 1.462 57.724 56.287 -0.042 0.000 0.927 18 K CB -0.227 32.255 32.500 -0.031 0.000 0.712 18 K HN 0.247 nan 8.250 nan 0.000 0.441 19 I N 1.333 121.875 120.570 -0.046 0.000 2.394 19 I HA -0.190 3.979 4.170 -0.000 0.000 0.251 19 I C 2.396 178.505 176.117 -0.013 0.000 1.136 19 I CA 0.823 62.106 61.300 -0.028 0.000 1.425 19 I CB -1.092 36.891 38.000 -0.028 0.000 1.079 19 I HN 0.047 nan 8.210 nan 0.000 0.425 20 V N 1.428 121.332 119.914 -0.017 0.000 2.244 20 V HA -0.303 3.816 4.120 -0.000 0.000 0.244 20 V C 2.414 178.531 176.094 0.039 0.000 1.042 20 V CA 2.288 64.601 62.300 0.021 0.000 1.006 20 V CB -0.791 31.049 31.823 0.028 0.000 0.641 20 V HN 0.337 nan 8.190 nan 0.000 0.446 21 D N 0.064 120.479 120.400 0.024 0.000 2.127 21 D HA -0.256 4.384 4.640 -0.000 0.000 0.190 21 D C 2.044 178.364 176.300 0.034 0.000 1.000 21 D CA 2.142 56.159 54.000 0.029 0.000 0.839 21 D CB -0.305 40.505 40.800 0.017 0.000 0.955 21 D HN 0.232 nan 8.370 nan 0.000 0.446 22 L N 0.120 121.356 121.223 0.022 0.000 2.010 22 L HA -0.199 4.141 4.340 -0.000 0.000 0.219 22 L C 2.231 179.132 176.870 0.051 0.000 1.077 22 L CA 1.869 56.724 54.840 0.025 0.000 0.773 22 L CB -0.648 41.416 42.059 0.009 0.000 0.892 22 L HN 0.297 nan 8.230 nan 0.000 0.436 23 L N -0.926 120.338 121.223 0.068 0.000 2.313 23 L HA -0.070 4.270 4.340 -0.000 0.000 0.214 23 L C 2.021 179.039 176.870 0.247 0.000 1.119 23 L CA 1.082 56.008 54.840 0.144 0.000 0.809 23 L CB -0.960 41.145 42.059 0.077 0.000 0.933 23 L HN 0.498 nan 8.230 nan 0.000 0.449 24 T N -3.872 110.779 114.554 0.162 0.000 3.308 24 T HA -0.115 4.235 4.350 -0.000 0.000 0.255 24 T C 1.367 176.108 174.700 0.068 0.000 1.162 24 T CA 0.377 62.560 62.100 0.139 0.000 1.031 24 T CB -0.153 68.771 68.868 0.093 0.000 0.973 24 T HN 0.330 nan 8.240 nan 0.000 0.544 25 E N 1.389 121.630 120.200 0.069 0.000 2.153 25 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 25 E C 2.160 178.755 176.600 -0.009 0.000 0.988 25 E CA 0.903 57.319 56.400 0.026 0.000 0.811 25 E CB 0.089 29.811 29.700 0.036 0.000 0.746 25 E HN 0.603 nan 8.360 nan 0.000 0.466 26 R N -0.511 119.979 120.500 -0.017 0.000 2.307 26 R HA 0.309 4.648 4.340 -0.000 0.000 0.200 26 R C 0.385 176.580 176.300 -0.175 0.000 0.893 26 R CA 0.200 56.236 56.100 -0.106 0.000 1.042 26 R CB 0.651 30.885 30.300 -0.109 0.000 1.059 26 R HN -0.048 nan 8.270 nan 0.000 0.530 27 A N 1.710 124.450 122.820 -0.135 0.000 2.407 27 A HA 0.092 4.412 4.320 -0.000 0.000 0.248 27 A C 0.768 178.285 177.584 -0.111 0.000 1.082 27 A CA -0.114 51.881 52.037 -0.069 0.000 0.785 27 A CB 0.673 19.730 19.000 0.095 0.000 1.020 27 A HN 0.179 nan 8.150 nan 0.000 0.489 28 K N 0.270 120.581 120.400 -0.148 0.000 2.242 28 K HA 0.097 4.417 4.320 -0.000 0.000 0.200 28 K C -0.897 175.362 176.600 -0.567 0.000 1.050 28 K CA 0.805 56.858 56.287 -0.389 0.000 0.981 28 K CB 0.057 32.271 32.500 -0.477 0.000 0.795 28 K HN 0.722 nan 8.250 nan 0.000 0.477 29 Y N -0.525 119.764 120.300 -0.019 0.000 2.512 29 Y HA 0.414 4.964 4.550 -0.000 0.000 0.348 29 Y C -0.803 175.064 175.900 -0.056 0.000 0.990 29 Y CA -1.199 56.876 58.100 -0.042 0.000 1.033 29 Y CB 2.230 40.648 38.460 -0.071 0.000 1.259 29 Y HN -0.385 nan 8.280 nan 0.000 0.461 30 V N 2.929 122.907 119.914 0.106 0.000 2.588 30 V HA 0.684 4.804 4.120 -0.000 0.000 0.304 30 V C -1.014 175.075 176.094 -0.008 0.000 1.042 30 V CA -0.900 61.420 62.300 0.033 0.000 0.877 30 V CB 1.807 33.668 31.823 0.063 0.000 0.996 30 V HN 0.531 nan 8.190 nan 0.000 0.425 31 V N 4.237 124.096 119.914 -0.092 0.000 2.577 31 V HA 0.571 4.691 4.120 -0.000 0.000 0.303 31 V C -0.147 176.049 176.094 0.170 0.000 1.042 31 V CA -0.876 61.410 62.300 -0.024 0.000 0.872 31 V CB 2.034 33.727 31.823 -0.218 0.000 0.998 31 V HN 0.741 nan 8.190 nan 0.000 0.423 32 R N 2.798 123.392 120.500 0.156 0.000 2.410 32 R HA 0.347 4.687 4.340 -0.000 0.000 0.288 32 R C -0.104 176.333 176.300 0.229 0.000 1.051 32 R CA -0.173 56.006 56.100 0.133 0.000 1.021 32 R CB 1.068 31.400 30.300 0.053 0.000 1.032 32 R HN 0.940 nan 8.270 nan 0.000 0.481 33 Y N -0.819 119.591 120.300 0.183 0.000 2.563 33 Y HA 0.267 4.817 4.550 -0.000 0.000 0.250 33 Y C -0.460 175.531 175.900 0.152 0.000 1.126 33 Y CA -0.655 57.554 58.100 0.181 0.000 1.231 33 Y CB 0.593 39.182 38.460 0.216 0.000 1.288 33 Y HN 0.438 nan 8.280 nan 0.000 0.537 34 Q N -0.197 119.550 119.800 -0.088 0.000 2.756 34 Q HA 0.642 4.982 4.340 -0.000 0.000 0.295 34 Q C -0.073 175.938 176.000 0.018 0.000 0.903 34 Q CA -0.875 54.949 55.803 0.034 0.000 0.768 34 Q CB 1.036 29.799 28.738 0.041 0.000 1.472 34 Q HN 0.883 nan 8.270 nan 0.000 0.416 35 G N -0.929 107.971 108.800 0.167 0.000 2.681 35 G HA2 0.357 4.316 3.960 -0.000 0.000 0.220 35 G HA3 0.357 4.316 3.960 -0.000 0.000 0.220 35 G C 0.022 175.006 174.900 0.140 0.000 1.353 35 G CA 0.203 45.386 45.100 0.139 0.000 0.872 35 G HN 1.626 nan 8.290 nan 0.000 0.557 36 G N -2.596 106.258 108.800 0.090 0.000 3.214 36 G HA2 0.635 4.595 3.960 -0.000 0.000 0.188 36 G HA3 0.635 4.595 3.960 -0.000 0.000 0.188 36 G C 0.433 175.412 174.900 0.132 0.000 1.126 36 G CA 0.624 45.798 45.100 0.124 0.000 0.796 36 G HN 1.731 nan 8.290 nan 0.000 0.631 37 H N 0.624 119.686 119.070 -0.012 0.000 2.813 37 H HA 0.184 4.740 4.556 -0.000 0.000 0.312 37 H C 0.055 175.391 175.328 0.013 0.000 1.228 37 H CA -0.070 55.983 56.048 0.008 0.000 1.154 37 H CB -0.894 28.853 29.762 -0.025 0.000 1.418 37 H HN 0.390 nan 8.280 nan 0.000 0.525 38 N N -0.293 118.358 118.700 -0.082 0.000 2.433 38 N HA 0.229 4.969 4.740 -0.000 0.000 0.270 38 N C 0.786 176.332 175.510 0.060 0.000 1.354 38 N CA 0.028 53.047 53.050 -0.052 0.000 0.889 38 N CB 0.281 38.680 38.487 -0.147 0.000 1.285 38 N HN 0.229 nan 8.380 nan 0.000 0.503 39 A N 0.683 123.532 122.820 0.049 0.000 1.855 39 A HA 0.463 4.783 4.320 -0.000 0.000 0.213 39 A C 1.572 179.037 177.584 -0.198 0.000 1.195 39 A CA 0.996 52.907 52.037 -0.210 0.000 0.610 39 A CB -1.136 17.544 19.000 -0.534 0.000 0.837 39 A HN 0.899 nan 8.150 nan 0.000 0.444 40 G N -0.191 108.400 108.800 -0.349 0.000 2.324 40 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.292 40 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.292 40 G C -0.249 174.618 174.900 -0.054 0.000 1.079 40 G CA 0.371 45.271 45.100 -0.333 0.000 1.026 40 G HN 0.859 nan 8.290 nan 0.000 0.506 41 H N 0.702 119.659 119.070 -0.188 0.000 2.690 41 H HA 0.374 4.930 4.556 -0.000 0.000 0.289 41 H C 0.308 175.586 175.328 -0.083 0.000 1.089 41 H CA -0.339 55.654 56.048 -0.092 0.000 1.299 41 H CB 0.845 30.572 29.762 -0.060 0.000 1.405 41 H HN 0.230 nan 8.280 nan 0.000 0.463 42 T N 5.531 120.117 114.554 0.053 0.000 2.817 42 T HA 0.284 4.634 4.350 -0.000 0.000 0.293 42 T C 0.236 174.947 174.700 0.018 0.000 0.964 42 T CA -0.489 61.625 62.100 0.024 0.000 1.085 42 T CB 0.597 69.480 68.868 0.026 0.000 0.921 42 T HN 0.336 nan 8.240 nan 0.000 0.502 43 L N 3.321 124.555 121.223 0.020 0.000 2.349 43 L HA 0.578 4.918 4.340 -0.000 0.000 0.278 43 L C -0.718 176.165 176.870 0.021 0.000 0.996 43 L CA -1.079 53.771 54.840 0.017 0.000 0.825 43 L CB 1.910 43.980 42.059 0.019 0.000 1.243 43 L HN 0.358 nan 8.230 nan 0.000 0.412 44 V N 4.877 124.803 119.914 0.020 0.000 2.304 44 V HA 0.381 4.501 4.120 -0.000 0.000 0.278 44 V C -0.249 175.857 176.094 0.020 0.000 1.018 44 V CA -0.269 62.047 62.300 0.026 0.000 0.814 44 V CB 1.465 33.309 31.823 0.036 0.000 1.021 44 V HN 0.457 nan 8.190 nan 0.000 0.440 45 I N 4.154 124.735 120.570 0.019 0.000 2.328 45 I HA 0.377 4.547 4.170 -0.000 0.000 0.287 45 I C 0.801 176.929 176.117 0.018 0.000 1.012 45 I CA 0.022 61.331 61.300 0.016 0.000 1.195 45 I CB 0.845 38.854 38.000 0.014 0.000 1.350 45 I HN 0.718 nan 8.210 nan 0.000 0.464 46 N N 4.890 123.600 118.700 0.017 0.000 2.686 46 N HA -0.265 4.475 4.740 -0.000 0.000 0.249 46 N C 0.986 176.511 175.510 0.024 0.000 1.082 46 N CA 0.608 53.669 53.050 0.019 0.000 0.725 46 N CB -0.834 37.662 38.487 0.015 0.000 1.009 46 N HN 1.111 nan 8.380 nan 0.000 0.545 47 G N -0.542 108.276 108.800 0.030 0.000 2.424 47 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.207 47 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.207 47 G C -0.277 174.642 174.900 0.031 0.000 1.061 47 G CA 0.041 45.161 45.100 0.034 0.000 0.657 47 G HN 0.580 nan 8.290 nan 0.000 0.508 48 E N 1.667 121.882 120.200 0.026 0.000 2.316 48 E HA 0.447 4.797 4.350 -0.000 0.000 0.275 48 E C -0.326 176.290 176.600 0.026 0.000 1.029 48 E CA -0.121 56.294 56.400 0.024 0.000 0.871 48 E CB 1.776 31.488 29.700 0.020 0.000 1.022 48 E HN 0.547 nan 8.360 nan 0.000 0.418 49 K N 2.646 123.062 120.400 0.028 0.000 2.307 49 K HA 0.291 4.611 4.320 -0.000 0.000 0.263 49 K C -1.199 175.417 176.600 0.026 0.000 0.973 49 K CA -0.431 55.873 56.287 0.029 0.000 0.846 49 K CB 1.401 33.922 32.500 0.034 0.000 1.100 49 K HN 0.477 nan 8.250 nan 0.000 0.438 50 T N 2.577 117.145 114.554 0.023 0.000 2.829 50 T HA 0.383 4.733 4.350 -0.000 0.000 0.280 50 T C -0.942 173.766 174.700 0.014 0.000 0.999 50 T CA -0.694 61.419 62.100 0.021 0.000 0.983 50 T CB 1.630 70.510 68.868 0.021 0.000 0.968 50 T HN 0.304 nan 8.240 nan 0.000 0.446 51 V N 4.277 124.193 119.914 0.004 0.000 2.407 51 V HA 0.487 4.607 4.120 -0.000 0.000 0.291 51 V C -0.591 175.456 176.094 -0.078 0.000 1.018 51 V CA -0.773 61.502 62.300 -0.041 0.000 0.842 51 V CB 1.186 32.990 31.823 -0.032 0.000 0.996 51 V HN 0.709 nan 8.190 nan 0.000 0.426 52 L N 4.379 125.532 121.223 -0.117 0.000 2.329 52 L HA 0.604 4.944 4.340 -0.000 0.000 0.279 52 L C 0.809 177.528 176.870 -0.251 0.000 1.014 52 L CA -0.539 54.245 54.840 -0.094 0.000 0.814 52 L CB 1.793 43.849 42.059 -0.006 0.000 1.257 52 L HN 0.637 nan 8.230 nan 0.000 0.424 53 H N 1.838 120.904 119.070 -0.006 0.000 2.481 53 H HA 0.150 4.706 4.556 -0.000 0.000 0.291 53 H C 0.952 176.259 175.328 -0.034 0.000 1.009 53 H CA 0.647 56.672 56.048 -0.038 0.000 1.282 53 H CB 1.290 31.053 29.762 0.001 0.000 1.457 53 H HN 0.443 nan 8.280 nan 0.000 0.525 54 L N 0.776 122.076 121.223 0.128 0.000 2.519 54 L HA 0.302 4.642 4.340 -0.000 0.000 0.194 54 L C 0.602 177.497 176.870 0.043 0.000 1.072 54 L CA 0.593 55.482 54.840 0.082 0.000 0.845 54 L CB -0.090 42.025 42.059 0.094 0.000 1.138 54 L HN -0.060 nan 8.230 nan 0.000 0.487 55 I N 2.535 123.132 120.570 0.045 0.000 2.683 55 I HA 0.050 4.220 4.170 -0.000 0.000 0.286 55 I C -1.811 174.331 176.117 0.041 0.000 1.175 55 I CA -1.399 59.924 61.300 0.039 0.000 1.429 55 I CB 0.052 38.075 38.000 0.037 0.000 1.371 55 I HN 0.134 nan 8.210 nan 0.000 0.569 56 P HA 0.007 nan 4.420 nan 0.000 0.268 56 P C 0.138 177.482 177.300 0.073 0.000 1.208 56 P CA 0.071 63.212 63.100 0.068 0.000 0.777 56 P CB 0.479 32.221 31.700 0.070 0.000 0.875 57 S N 0.834 116.594 115.700 0.101 0.000 2.727 57 S HA 0.040 4.510 4.470 -0.000 0.000 0.226 57 S C 1.603 176.239 174.600 0.060 0.000 0.963 57 S CA 0.646 58.898 58.200 0.086 0.000 0.950 57 S CB -0.713 62.551 63.200 0.105 0.000 0.779 57 S HN 0.713 nan 8.310 nan 0.000 0.532 58 G N 0.493 109.326 108.800 0.056 0.000 3.233 58 G HA2 0.134 4.094 3.960 -0.000 0.000 0.234 58 G HA3 0.134 4.094 3.960 -0.000 0.000 0.234 58 G C 0.911 175.829 174.900 0.029 0.000 1.137 58 G CA -0.313 44.813 45.100 0.043 0.000 0.763 58 G HN 0.459 nan 8.290 nan 0.000 0.549 59 I N 0.632 121.221 120.570 0.032 0.000 2.567 59 I HA 0.009 4.178 4.170 -0.000 0.000 0.257 59 I C 2.171 178.298 176.117 0.016 0.000 1.184 59 I CA 0.981 62.295 61.300 0.024 0.000 1.451 59 I CB 0.155 38.171 38.000 0.028 0.000 1.089 59 I HN 0.136 nan 8.210 nan 0.000 0.441 60 L N -0.101 121.132 121.223 0.017 0.000 2.446 60 L HA 0.078 4.417 4.340 -0.000 0.000 0.219 60 L C 1.001 177.874 176.870 0.005 0.000 1.116 60 L CA 0.080 54.927 54.840 0.012 0.000 0.844 60 L CB -0.453 41.614 42.059 0.014 0.000 0.970 60 L HN -0.021 nan 8.230 nan 0.000 0.457 61 R N 0.659 121.161 120.500 0.004 0.000 2.390 61 R HA 0.039 4.379 4.340 -0.000 0.000 0.291 61 R C 0.789 177.079 176.300 -0.017 0.000 1.070 61 R CA -0.161 55.936 56.100 -0.006 0.000 1.014 61 R CB 1.211 31.508 30.300 -0.004 0.000 1.007 61 R HN 0.092 nan 8.270 nan 0.000 0.466 62 E N 2.361 122.548 120.200 -0.022 0.000 2.107 62 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 62 E C 1.104 177.677 176.600 -0.046 0.000 0.982 62 E CA 1.135 57.517 56.400 -0.029 0.000 0.809 62 E CB 0.210 29.895 29.700 -0.025 0.000 0.756 62 E HN 0.602 nan 8.360 nan 0.000 0.459 63 N N 0.179 118.844 118.700 -0.058 0.000 2.463 63 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 63 N C 0.349 175.785 175.510 -0.123 0.000 1.078 63 N CA 0.217 53.215 53.050 -0.087 0.000 0.902 63 N CB 0.237 38.670 38.487 -0.089 0.000 0.970 63 N HN -0.052 nan 8.380 nan 0.000 0.451 64 V N 1.000 120.853 119.914 -0.102 0.000 2.716 64 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 64 V C 0.129 176.158 176.094 -0.109 0.000 1.053 64 V CA -0.478 61.747 62.300 -0.125 0.000 0.984 64 V CB 1.730 33.516 31.823 -0.063 0.000 1.021 64 V HN 0.105 nan 8.190 nan 0.000 0.467 65 T N 2.263 116.733 114.554 -0.140 0.000 2.792 65 T HA 0.419 4.769 4.350 -0.000 0.000 0.280 65 T C -0.260 174.483 174.700 0.072 0.000 0.990 65 T CA -0.398 61.681 62.100 -0.034 0.000 0.960 65 T CB 1.329 70.180 68.868 -0.028 0.000 0.939 65 T HN 0.630 nan 8.240 nan 0.000 0.439 66 S N 2.968 118.710 115.700 0.070 0.000 2.508 66 S HA 0.680 5.150 4.470 -0.000 0.000 0.284 66 S C -0.197 174.456 174.600 0.089 0.000 1.192 66 S CA -0.724 57.523 58.200 0.079 0.000 1.070 66 S CB 0.517 63.749 63.200 0.054 0.000 1.004 66 S HN 0.531 nan 8.310 nan 0.000 0.493 67 I N 2.256 122.875 120.570 0.083 0.000 2.730 67 I HA 0.488 4.658 4.170 -0.000 0.000 0.298 67 I C -0.943 175.212 176.117 0.064 0.000 1.089 67 I CA -0.734 60.607 61.300 0.068 0.000 1.041 67 I CB 1.910 39.940 38.000 0.049 0.000 1.235 67 I HN 0.444 nan 8.210 nan 0.000 0.423 68 I N 3.659 124.266 120.570 0.061 0.000 2.390 68 I HA 0.345 4.515 4.170 -0.000 0.000 0.283 68 I C 0.753 176.918 176.117 0.079 0.000 1.016 68 I CA -0.328 61.012 61.300 0.067 0.000 1.151 68 I CB 1.454 39.481 38.000 0.045 0.000 1.293 68 I HN 0.675 nan 8.210 nan 0.000 0.458 69 G N 4.296 113.167 108.800 0.119 0.000 2.684 69 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.255 69 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.255 69 G C 1.030 176.001 174.900 0.118 0.000 1.219 69 G CA -0.490 44.693 45.100 0.139 0.000 0.901 69 G HN 0.805 nan 8.290 nan 0.000 0.548 70 N N -0.046 118.722 118.700 0.114 0.000 2.443 70 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 70 N C 1.807 177.382 175.510 0.109 0.000 1.037 70 N CA 1.155 54.261 53.050 0.094 0.000 0.896 70 N CB -0.178 38.362 38.487 0.088 0.000 0.959 70 N HN 0.504 nan 8.380 nan 0.000 0.442 71 G N 0.687 109.583 108.800 0.160 0.000 2.572 71 G HA2 0.052 4.012 3.960 -0.000 0.000 0.216 71 G HA3 0.052 4.012 3.960 -0.000 0.000 0.216 71 G C 0.481 175.493 174.900 0.186 0.000 1.133 71 G CA -0.101 45.123 45.100 0.206 0.000 0.791 71 G HN 0.197 nan 8.290 nan 0.000 0.538 72 V N 2.385 122.368 119.914 0.115 0.000 2.470 72 V HA 0.191 4.311 4.120 -0.000 0.000 0.276 72 V C 0.569 176.638 176.094 -0.042 0.000 1.040 72 V CA -0.829 61.508 62.300 0.062 0.000 1.008 72 V CB 1.004 32.858 31.823 0.051 0.000 0.990 72 V HN 0.210 nan 8.190 nan 0.000 0.477 73 V N 4.993 124.817 119.914 -0.151 0.000 2.405 73 V HA 0.469 4.589 4.120 -0.000 0.000 0.264 73 V C -0.191 175.836 176.094 -0.113 0.000 1.048 73 V CA -0.331 61.813 62.300 -0.259 0.000 0.966 73 V CB 0.674 32.175 31.823 -0.538 0.000 1.015 73 V HN 0.712 nan 8.190 nan 0.000 0.477 74 L N 4.737 125.902 121.223 -0.097 0.000 2.325 74 L HA 0.727 5.067 4.340 -0.000 0.000 0.279 74 L C 0.399 177.194 176.870 -0.124 0.000 1.054 74 L CA -0.012 54.778 54.840 -0.085 0.000 0.804 74 L CB 1.913 43.934 42.059 -0.062 0.000 1.200 74 L HN 0.868 nan 8.230 nan 0.000 0.436 75 S N 4.895 120.476 115.700 -0.199 0.000 2.530 75 S HA 0.524 4.994 4.470 -0.000 0.000 0.322 75 S C -2.014 172.470 174.600 -0.192 0.000 1.085 75 S CA -1.457 56.586 58.200 -0.262 0.000 1.096 75 S CB 1.553 64.406 63.200 -0.577 0.000 0.988 75 S HN 0.559 nan 8.310 nan 0.000 0.466 76 P HA -0.019 nan 4.420 nan 0.000 0.216 76 P C 1.441 178.684 177.300 -0.094 0.000 1.153 76 P CA 1.411 64.452 63.100 -0.098 0.000 0.848 76 P CB 0.080 31.730 31.700 -0.082 0.000 0.787 77 A N 0.294 123.051 122.820 -0.104 0.000 1.845 77 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 77 A C 2.384 179.915 177.584 -0.088 0.000 1.195 77 A CA 2.346 54.333 52.037 -0.084 0.000 0.616 77 A CB -1.709 17.244 19.000 -0.079 0.000 0.832 77 A HN 0.183 nan 8.150 nan 0.000 0.443 78 A N -0.626 122.104 122.820 -0.150 0.000 1.908 78 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 78 A C 2.162 179.713 177.584 -0.056 0.000 1.181 78 A CA 1.874 53.845 52.037 -0.111 0.000 0.627 78 A CB -0.679 18.175 19.000 -0.243 0.000 0.818 78 A HN 0.798 nan 8.150 nan 0.000 0.445 79 L N -0.734 120.443 121.223 -0.077 0.000 2.046 79 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 79 L C 2.446 179.302 176.870 -0.024 0.000 1.077 79 L CA 2.550 57.366 54.840 -0.039 0.000 0.747 79 L CB -0.493 41.537 42.059 -0.049 0.000 0.896 79 L HN 0.535 nan 8.230 nan 0.000 0.432 80 M N -0.635 118.944 119.600 -0.034 0.000 2.067 80 M HA -0.273 4.207 4.480 -0.000 0.000 0.260 80 M C 2.408 178.702 176.300 -0.009 0.000 1.069 80 M CA 2.245 57.531 55.300 -0.022 0.000 1.117 80 M CB -0.307 32.276 32.600 -0.028 0.000 1.334 80 M HN 0.360 nan 8.290 nan 0.000 0.407 81 K N 0.018 120.413 120.400 -0.008 0.000 2.103 81 K HA -0.259 4.061 4.320 -0.000 0.000 0.207 81 K C 1.737 178.349 176.600 0.019 0.000 1.048 81 K CA 2.063 58.353 56.287 0.005 0.000 0.930 81 K CB -0.200 32.304 32.500 0.006 0.000 0.716 81 K HN 0.490 nan 8.250 nan 0.000 0.444 82 E N -0.063 120.152 120.200 0.025 0.000 2.216 82 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 82 E C 2.001 178.618 176.600 0.027 0.000 0.988 82 E CA 0.627 57.050 56.400 0.040 0.000 0.834 82 E CB 0.096 29.829 29.700 0.056 0.000 0.772 82 E HN 0.327 nan 8.360 nan 0.000 0.479 83 M N 0.176 119.786 119.600 0.016 0.000 2.156 83 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 83 M C 2.347 178.654 176.300 0.011 0.000 1.067 83 M CA 1.212 56.519 55.300 0.012 0.000 1.131 83 M CB -0.005 32.597 32.600 0.004 0.000 1.368 83 M HN -0.047 nan 8.290 nan 0.000 0.416 84 K N 0.612 121.018 120.400 0.009 0.000 2.009 84 K HA -0.208 4.112 4.320 -0.000 0.000 0.210 84 K C 1.619 178.226 176.600 0.013 0.000 1.049 84 K CA 1.793 58.086 56.287 0.009 0.000 0.929 84 K CB -0.087 32.416 32.500 0.006 0.000 0.714 84 K HN 0.345 nan 8.250 nan 0.000 0.440 85 E N 0.635 120.846 120.200 0.018 0.000 2.065 85 E HA -0.242 4.108 4.350 -0.000 0.000 0.201 85 E C 2.147 178.759 176.600 0.019 0.000 1.016 85 E CA 1.781 58.194 56.400 0.021 0.000 0.818 85 E CB -0.219 29.498 29.700 0.030 0.000 0.749 85 E HN 0.312 nan 8.360 nan 0.000 0.453 86 L N 0.752 121.987 121.223 0.020 0.000 2.131 86 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 86 L C 2.338 179.216 176.870 0.013 0.000 1.092 86 L CA 1.116 55.966 54.840 0.018 0.000 0.759 86 L CB -0.290 41.780 42.059 0.020 0.000 0.903 86 L HN 0.139 nan 8.230 nan 0.000 0.435 87 E N -0.185 120.022 120.200 0.012 0.000 2.107 87 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 87 E C 1.682 178.287 176.600 0.008 0.000 0.982 87 E CA 0.941 57.346 56.400 0.009 0.000 0.809 87 E CB 0.023 29.727 29.700 0.007 0.000 0.756 87 E HN 0.430 nan 8.360 nan 0.000 0.459 88 D N 0.764 121.170 120.400 0.009 0.000 2.123 88 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 88 D C 1.679 177.984 176.300 0.009 0.000 0.992 88 D CA 1.070 55.076 54.000 0.009 0.000 0.833 88 D CB -0.157 40.649 40.800 0.010 0.000 0.954 88 D HN 0.069 nan 8.370 nan 0.000 0.455 89 R N -0.581 119.925 120.500 0.011 0.000 2.339 89 R HA 0.148 4.488 4.340 -0.000 0.000 0.199 89 R C 1.326 177.631 176.300 0.009 0.000 1.018 89 R CA 0.689 56.795 56.100 0.011 0.000 1.036 89 R CB 0.179 30.487 30.300 0.014 0.000 0.899 89 R HN 0.232 nan 8.270 nan 0.000 0.473 90 G N 0.473 109.278 108.800 0.008 0.000 2.176 90 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.232 90 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.232 90 G C 0.025 174.928 174.900 0.006 0.000 0.986 90 G CA -0.569 44.535 45.100 0.006 0.000 0.643 90 G HN 0.101 nan 8.290 nan 0.000 0.522 91 I N 2.457 123.031 120.570 0.007 0.000 2.379 91 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 91 I C -1.561 174.560 176.117 0.006 0.000 1.063 91 I CA -2.894 58.410 61.300 0.007 0.000 1.351 91 I CB 0.642 38.648 38.000 0.011 0.000 1.410 91 I HN -0.049 nan 8.210 nan 0.000 0.505 92 P HA 0.068 nan 4.420 nan 0.000 0.231 92 P C 1.168 178.471 177.300 0.005 0.000 1.756 92 P CA -0.028 63.074 63.100 0.003 0.000 0.990 92 P CB 0.242 31.942 31.700 0.000 0.000 1.973 93 V N 2.253 122.172 119.914 0.008 0.000 2.317 93 V HA -0.287 3.833 4.120 -0.000 0.000 0.251 93 V C 2.624 178.725 176.094 0.011 0.000 1.065 93 V CA 1.958 64.264 62.300 0.011 0.000 1.049 93 V CB -1.070 30.761 31.823 0.012 0.000 0.651 93 V HN 0.396 nan 8.190 nan 0.000 0.450 94 R N -0.181 120.324 120.500 0.008 0.000 2.237 94 R HA -0.112 4.227 4.340 -0.000 0.000 0.219 94 R C 1.967 178.273 176.300 0.010 0.000 1.080 94 R CA 1.150 57.256 56.100 0.009 0.000 0.995 94 R CB -0.195 30.109 30.300 0.006 0.000 0.875 94 R HN 0.666 nan 8.270 nan 0.000 0.462 95 E N 0.581 120.786 120.200 0.008 0.000 2.478 95 E HA -0.040 4.309 4.350 -0.000 0.000 0.194 95 E C 0.934 177.539 176.600 0.007 0.000 1.045 95 E CA 0.317 56.720 56.400 0.006 0.000 0.868 95 E CB 0.379 30.079 29.700 0.000 0.000 0.885 95 E HN 0.349 nan 8.360 nan 0.000 0.505 96 R N 0.353 120.859 120.500 0.011 0.000 2.592 96 R HA 0.270 4.610 4.340 -0.000 0.000 0.439 96 R C -0.378 175.938 176.300 0.028 0.000 0.995 96 R CA -0.286 55.822 56.100 0.013 0.000 1.141 96 R CB -0.005 30.295 30.300 -0.001 0.000 1.495 96 R HN -0.065 nan 8.270 nan 0.000 0.579 97 L N 1.350 122.591 121.223 0.031 0.000 2.341 97 L HA 0.604 4.944 4.340 -0.000 0.000 0.278 97 L C -1.444 175.452 176.870 0.042 0.000 1.005 97 L CA -0.809 54.054 54.840 0.038 0.000 0.818 97 L CB 1.826 43.902 42.059 0.028 0.000 1.259 97 L HN 0.109 nan 8.230 nan 0.000 0.418 98 L N 5.429 126.683 121.223 0.052 0.000 2.371 98 L HA 0.687 5.027 4.340 -0.000 0.000 0.262 98 L C -0.931 175.966 176.870 0.045 0.000 1.006 98 L CA -0.820 54.051 54.840 0.051 0.000 0.818 98 L CB 2.143 44.242 42.059 0.065 0.000 1.354 98 L HN 0.653 nan 8.230 nan 0.000 0.415 99 L N -1.198 120.049 121.223 0.040 0.000 2.303 99 L HA 0.769 5.109 4.340 -0.000 0.000 0.256 99 L C -0.418 176.476 176.870 0.041 0.000 1.034 99 L CA -0.714 54.147 54.840 0.035 0.000 0.832 99 L CB 1.896 43.966 42.059 0.017 0.000 1.403 99 L HN 0.463 nan 8.230 nan 0.000 0.419 100 S N -0.655 115.069 115.700 0.041 0.000 2.489 100 S HA 0.206 4.676 4.470 -0.000 0.000 0.291 100 S C 0.671 175.293 174.600 0.037 0.000 1.151 100 S CA -0.373 57.857 58.200 0.049 0.000 1.082 100 S CB 1.079 64.314 63.200 0.059 0.000 1.019 100 S HN 0.888 nan 8.310 nan 0.000 0.492 101 E N 3.434 123.668 120.200 0.057 0.000 2.516 101 E HA 0.046 4.396 4.350 -0.000 0.000 0.199 101 E C 1.044 177.663 176.600 0.032 0.000 1.069 101 E CA 0.691 57.115 56.400 0.039 0.000 0.876 101 E CB -0.073 29.710 29.700 0.138 0.000 0.843 101 E HN 0.574 nan 8.360 nan 0.000 0.530 102 A N 0.547 123.392 122.820 0.043 0.000 2.308 102 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 102 A C 0.716 178.317 177.584 0.029 0.000 1.216 102 A CA -0.427 51.636 52.037 0.044 0.000 0.864 102 A CB -0.070 18.964 19.000 0.057 0.000 0.902 102 A HN 0.369 nan 8.150 nan 0.000 0.499 103 C N 2.126 121.434 119.300 0.013 0.000 2.648 103 C HA 0.310 4.770 4.460 -0.000 0.000 0.415 103 C C -2.088 172.887 174.990 -0.025 0.000 1.366 103 C CA -0.728 58.286 59.018 -0.006 0.000 1.756 103 C CB -0.179 27.552 27.740 -0.015 0.000 2.549 103 C HN 0.377 nan 8.230 nan 0.000 0.597 104 P HA 0.262 nan 4.420 nan 0.000 0.272 104 P C -0.718 176.552 177.300 -0.051 0.000 1.230 104 P CA 0.019 63.090 63.100 -0.049 0.000 0.788 104 P CB 0.421 32.044 31.700 -0.127 0.000 0.949 105 L N 2.735 123.964 121.223 0.011 0.000 2.295 105 L HA 0.459 4.799 4.340 -0.000 0.000 0.285 105 L C 0.272 177.171 176.870 0.049 0.000 1.035 105 L CA -0.617 54.234 54.840 0.019 0.000 0.806 105 L CB 0.715 42.818 42.059 0.073 0.000 1.214 105 L HN 0.218 nan 8.230 nan 0.000 0.426 106 I N 4.214 124.777 120.570 -0.011 0.000 2.385 106 I HA 0.448 4.618 4.170 -0.000 0.000 0.294 106 I C -0.305 175.829 176.117 0.028 0.000 0.988 106 I CA -0.321 61.012 61.300 0.055 0.000 1.265 106 I CB 1.396 39.366 38.000 -0.051 0.000 1.388 106 I HN 0.428 nan 8.210 nan 0.000 0.480 107 L N 4.053 125.257 121.223 -0.031 0.000 2.409 107 L HA 0.396 4.735 4.340 -0.000 0.000 0.255 107 L C 0.838 177.458 176.870 -0.417 0.000 1.027 107 L CA -0.783 53.897 54.840 -0.266 0.000 0.834 107 L CB 1.554 43.460 42.059 -0.255 0.000 1.426 107 L HN 0.501 nan 8.230 nan 0.000 0.411 108 D N 0.587 120.871 120.400 -0.194 0.000 2.370 108 D HA -0.305 4.335 4.640 -0.000 0.000 0.190 108 D C 1.719 177.951 176.300 -0.112 0.000 1.019 108 D CA 2.835 56.782 54.000 -0.090 0.000 0.869 108 D CB -0.219 40.597 40.800 0.026 0.000 0.944 108 D HN 0.714 nan 8.370 nan 0.000 0.456 109 Y N -0.228 120.010 120.300 -0.102 0.000 2.384 109 Y HA -0.109 4.441 4.550 -0.000 0.000 0.289 109 Y C 2.096 177.913 175.900 -0.138 0.000 1.152 109 Y CA 1.198 59.223 58.100 -0.124 0.000 1.258 109 Y CB -1.423 36.961 38.460 -0.128 0.000 0.979 109 Y HN 0.255 nan 8.280 nan 0.000 0.549 110 H N -0.361 118.444 119.070 -0.441 0.000 2.333 110 H HA -0.063 4.493 4.556 -0.000 0.000 0.302 110 H C 2.202 177.435 175.328 -0.158 0.000 1.075 110 H CA 1.311 57.175 56.048 -0.307 0.000 1.348 110 H CB 0.016 29.569 29.762 -0.349 0.000 1.393 110 H HN 0.248 nan 8.280 nan 0.000 0.509 111 V N 0.978 120.892 119.914 0.001 0.000 2.343 111 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 111 V C 2.620 178.700 176.094 -0.023 0.000 1.051 111 V CA 1.538 63.834 62.300 -0.007 0.000 1.036 111 V CB -0.859 30.962 31.823 -0.002 0.000 0.654 111 V HN 0.536 nan 8.190 nan 0.000 0.451 112 A N -0.283 122.526 122.820 -0.019 0.000 1.908 112 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 112 A C 2.248 179.795 177.584 -0.062 0.000 1.181 112 A CA 1.896 53.922 52.037 -0.019 0.000 0.627 112 A CB -0.543 18.471 19.000 0.024 0.000 0.818 112 A HN 0.493 nan 8.150 nan 0.000 0.445 113 L N -0.859 120.330 121.223 -0.057 0.000 2.093 113 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 113 L C 2.398 179.179 176.870 -0.148 0.000 1.085 113 L CA 1.427 56.198 54.840 -0.115 0.000 0.755 113 L CB -0.437 41.597 42.059 -0.040 0.000 0.904 113 L HN 0.391 nan 8.230 nan 0.000 0.435 114 D N 0.220 120.573 120.400 -0.079 0.000 2.092 114 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 114 D C 1.846 178.094 176.300 -0.087 0.000 0.994 114 D CA 1.311 55.272 54.000 -0.066 0.000 0.828 114 D CB -0.000 40.777 40.800 -0.039 0.000 0.963 114 D HN 0.179 nan 8.370 nan 0.000 0.450 115 N N 0.505 119.153 118.700 -0.086 0.000 2.084 115 N HA -0.117 4.623 4.740 -0.000 0.000 0.190 115 N C 1.763 177.196 175.510 -0.128 0.000 1.030 115 N CA 1.571 54.572 53.050 -0.082 0.000 0.849 115 N CB -0.812 37.638 38.487 -0.062 0.000 1.012 115 N HN 0.238 nan 8.380 nan 0.000 0.423 116 A N 1.983 124.672 122.820 -0.218 0.000 1.873 116 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 116 A C 2.213 179.565 177.584 -0.387 0.000 1.193 116 A CA 1.541 53.344 52.037 -0.389 0.000 0.629 116 A CB -0.516 18.028 19.000 -0.760 0.000 0.826 116 A HN 0.260 nan 8.150 nan 0.000 0.447 117 R N -0.799 119.490 120.500 -0.353 0.000 2.096 117 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 117 R C 2.015 178.293 176.300 -0.037 0.000 1.127 117 R CA 1.220 57.245 56.100 -0.126 0.000 0.968 117 R CB -0.364 29.906 30.300 -0.050 0.000 0.861 117 R HN 0.545 nan 8.270 nan 0.000 0.440 118 E N 1.120 121.288 120.200 -0.055 0.000 2.028 118 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 118 E C 1.879 178.474 176.600 -0.008 0.000 0.988 118 E CA 0.926 57.314 56.400 -0.021 0.000 0.799 118 E CB -0.134 29.550 29.700 -0.025 0.000 0.755 118 E HN 0.243 nan 8.360 nan 0.000 0.447 119 K N 0.684 121.069 120.400 -0.025 0.000 2.074 119 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 119 K C 1.984 178.594 176.600 0.017 0.000 1.048 119 K CA 1.459 57.741 56.287 -0.009 0.000 0.926 119 K CB -0.078 32.409 32.500 -0.021 0.000 0.713 119 K HN 0.052 nan 8.250 nan 0.000 0.444 120 A N 1.123 123.964 122.820 0.036 0.000 1.968 120 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 120 A C 1.979 179.607 177.584 0.074 0.000 1.169 120 A CA 0.905 52.993 52.037 0.085 0.000 0.638 120 A CB -0.317 18.800 19.000 0.195 0.000 0.812 120 A HN 0.319 nan 8.150 nan 0.000 0.446 121 R N -0.897 119.638 120.500 0.058 0.000 2.189 121 R HA 0.073 4.413 4.340 -0.000 0.000 0.223 121 R C 1.714 178.042 176.300 0.045 0.000 1.092 121 R CA 0.514 56.645 56.100 0.052 0.000 0.989 121 R CB -0.461 29.862 30.300 0.038 0.000 0.876 121 R HN 0.643 nan 8.270 nan 0.000 0.457 122 G N 0.282 109.104 108.800 0.037 0.000 2.622 122 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.307 122 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.307 122 G C 0.812 175.732 174.900 0.033 0.000 1.226 122 G CA 0.526 45.644 45.100 0.030 0.000 0.997 122 G HN 0.427 nan 8.290 nan 0.000 0.551 123 A N -0.113 122.727 122.820 0.033 0.000 2.168 123 A HA 0.256 4.576 4.320 -0.000 0.000 0.215 123 A C 1.841 179.459 177.584 0.057 0.000 1.152 123 A CA 2.097 54.155 52.037 0.034 0.000 0.716 123 A CB -0.246 18.770 19.000 0.026 0.000 0.794 123 A HN 0.619 nan 8.150 nan 0.000 0.465 124 K N 0.265 120.710 120.400 0.074 0.000 2.498 124 K HA 0.445 4.765 4.320 -0.000 0.000 0.207 124 K C 0.388 177.072 176.600 0.139 0.000 1.033 124 K CA 0.148 56.509 56.287 0.123 0.000 1.138 124 K CB 0.460 33.015 32.500 0.092 0.000 0.860 124 K HN 0.356 nan 8.250 nan 0.000 0.490 125 A N 0.927 123.808 122.820 0.103 0.000 2.507 125 A HA 0.071 4.391 4.320 -0.000 0.000 0.235 125 A C 1.122 178.807 177.584 0.167 0.000 1.070 125 A CA 0.028 52.117 52.037 0.087 0.000 0.768 125 A CB 0.084 19.114 19.000 0.049 0.000 1.011 125 A HN 0.310 nan 8.150 nan 0.000 0.502 126 I N 0.745 121.386 120.570 0.119 0.000 2.400 126 I HA 0.145 4.315 4.170 -0.000 0.000 0.248 126 I C 1.695 177.895 176.117 0.138 0.000 1.109 126 I CA 1.435 62.844 61.300 0.182 0.000 1.425 126 I CB -0.105 37.906 38.000 0.019 0.000 1.094 126 I HN 0.966 nan 8.210 nan 0.000 0.425 127 G N 1.285 110.120 108.800 0.058 0.000 2.151 127 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.156 127 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.156 127 G C 0.253 175.158 174.900 0.009 0.000 1.017 127 G CA -0.159 44.955 45.100 0.023 0.000 0.686 127 G HN 0.182 nan 8.290 nan 0.000 0.503 128 T N 1.208 115.764 114.554 0.004 0.000 2.934 128 T HA 0.284 4.634 4.350 -0.000 0.000 0.321 128 T C 2.087 176.774 174.700 -0.023 0.000 1.080 128 T CA 1.152 63.245 62.100 -0.011 0.000 1.132 128 T CB 0.873 69.730 68.868 -0.018 0.000 1.039 128 T HN 0.988 nan 8.240 nan 0.000 0.543 129 T N -0.491 114.041 114.554 -0.036 0.000 3.163 129 T HA 0.180 4.530 4.350 -0.000 0.000 0.260 129 T C 1.801 176.457 174.700 -0.072 0.000 1.156 129 T CA 0.504 62.571 62.100 -0.055 0.000 1.072 129 T CB -0.495 68.326 68.868 -0.078 0.000 0.937 129 T HN 1.194 nan 8.240 nan 0.000 0.528 130 G N 1.914 110.678 108.800 -0.059 0.000 2.162 130 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.260 130 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.260 130 G C 0.782 175.645 174.900 -0.062 0.000 0.976 130 G CA 0.257 45.325 45.100 -0.055 0.000 0.655 130 G HN 0.595 nan 8.290 nan 0.000 0.533 131 R N 0.106 120.546 120.500 -0.100 0.000 2.356 131 R HA 0.419 4.759 4.340 -0.000 0.000 0.234 131 R C 1.937 178.243 176.300 0.011 0.000 0.929 131 R CA 0.618 56.657 56.100 -0.101 0.000 1.084 131 R CB 0.039 30.074 30.300 -0.443 0.000 1.105 131 R HN 1.209 nan 8.270 nan 0.000 0.515 132 G N 1.251 110.045 108.800 -0.010 0.000 2.179 132 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.257 132 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.257 132 G C 0.837 175.711 174.900 -0.044 0.000 1.010 132 G CA 0.163 45.259 45.100 -0.007 0.000 0.736 132 G HN 0.243 nan 8.290 nan 0.000 0.513 133 I N 0.859 121.421 120.570 -0.014 0.000 2.142 133 I HA -0.100 4.069 4.170 -0.000 0.000 0.240 133 I C 3.023 179.191 176.117 0.085 0.000 1.078 133 I CA 2.150 63.467 61.300 0.027 0.000 1.343 133 I CB -1.648 36.395 38.000 0.071 0.000 1.046 133 I HN 0.270 nan 8.210 nan 0.000 0.405 134 G N 2.021 110.867 108.800 0.075 0.000 2.446 134 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 134 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 134 G C -0.470 174.467 174.900 0.062 0.000 1.168 134 G CA 0.712 45.868 45.100 0.095 0.000 0.771 134 G HN 0.316 nan 8.290 nan 0.000 0.551 135 P HA 0.006 nan 4.420 nan 0.000 0.217 135 P C 2.205 179.387 177.300 -0.198 0.000 1.150 135 P CA 1.775 64.859 63.100 -0.027 0.000 0.832 135 P CB -0.098 31.607 31.700 0.009 0.000 0.787 136 A N -1.313 121.195 122.820 -0.520 0.000 1.877 136 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 136 A C 2.044 179.459 177.584 -0.281 0.000 1.186 136 A CA 1.568 53.173 52.037 -0.720 0.000 0.620 136 A CB -1.974 16.620 19.000 -0.676 0.000 0.822 136 A HN 0.120 nan 8.150 nan 0.000 0.443 137 Y N -0.140 120.093 120.300 -0.112 0.000 2.181 137 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 137 Y C 2.481 178.387 175.900 0.010 0.000 1.146 137 Y CA 1.713 59.796 58.100 -0.028 0.000 1.164 137 Y CB -0.295 38.160 38.460 -0.010 0.000 0.982 137 Y HN 0.519 nan 8.280 nan 0.000 0.515 138 E N 0.245 120.548 120.200 0.171 0.000 2.085 138 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 138 E C 1.441 178.139 176.600 0.164 0.000 0.994 138 E CA 1.688 58.183 56.400 0.158 0.000 0.801 138 E CB -0.087 29.709 29.700 0.160 0.000 0.743 138 E HN 0.411 nan 8.360 nan 0.000 0.453 139 D N 0.330 120.836 120.400 0.177 0.000 2.117 139 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 139 D C 1.845 178.229 176.300 0.140 0.000 0.987 139 D CA 1.138 55.272 54.000 0.222 0.000 0.829 139 D CB -0.195 40.813 40.800 0.347 0.000 0.961 139 D HN 0.187 nan 8.370 nan 0.000 0.460 140 K N 0.774 121.236 120.400 0.103 0.000 2.009 140 K HA -0.148 4.171 4.320 -0.000 0.000 0.210 140 K C 2.000 178.653 176.600 0.088 0.000 1.049 140 K CA 1.886 58.223 56.287 0.084 0.000 0.929 140 K CB -0.173 32.365 32.500 0.064 0.000 0.714 140 K HN 0.155 nan 8.250 nan 0.000 0.440 141 V N -1.486 118.489 119.914 0.103 0.000 2.913 141 V HA 0.040 4.160 4.120 -0.000 0.000 0.260 141 V C 1.853 177.983 176.094 0.061 0.000 1.098 141 V CA 1.561 63.910 62.300 0.081 0.000 1.121 141 V CB -0.639 31.234 31.823 0.083 0.000 0.714 141 V HN 0.356 nan 8.190 nan 0.000 0.487 142 A N -0.157 122.702 122.820 0.065 0.000 2.275 142 A HA 0.382 4.702 4.320 -0.000 0.000 0.212 142 A C 1.345 178.939 177.584 0.017 0.000 1.201 142 A CA 0.141 52.200 52.037 0.037 0.000 0.843 142 A CB -0.390 18.634 19.000 0.041 0.000 0.873 142 A HN 0.614 nan 8.150 nan 0.000 0.492 143 R N -1.353 119.168 120.500 0.034 0.000 3.758 143 R HA -0.227 4.113 4.340 -0.000 0.000 0.299 143 R C 1.067 177.376 176.300 0.015 0.000 1.182 143 R CA 1.485 57.601 56.100 0.027 0.000 0.809 143 R CB -2.274 28.034 30.300 0.013 0.000 1.249 143 R HN 0.814 nan 8.270 nan 0.000 0.497 144 R N -1.156 119.360 120.500 0.026 0.000 2.373 144 R HA 0.220 4.559 4.340 -0.000 0.000 0.221 144 R C 0.862 177.207 176.300 0.075 0.000 0.893 144 R CA 0.440 56.545 56.100 0.010 0.000 1.049 144 R CB 0.629 30.894 30.300 -0.058 0.000 1.119 144 R HN 0.124 nan 8.270 nan 0.000 0.535 145 G N 1.574 110.447 108.800 0.122 0.000 2.537 145 G HA2 0.440 4.400 3.960 -0.000 0.000 0.273 145 G HA3 0.440 4.400 3.960 -0.000 0.000 0.273 145 G C -0.304 174.682 174.900 0.143 0.000 1.189 145 G CA -0.788 44.419 45.100 0.179 0.000 0.881 145 G HN 0.038 nan 8.290 nan 0.000 0.535 146 L N -0.176 121.154 121.223 0.178 0.000 2.431 146 L HA 0.663 5.003 4.340 -0.000 0.000 0.260 146 L C 0.700 177.645 176.870 0.125 0.000 1.098 146 L CA -0.786 54.155 54.840 0.169 0.000 0.800 146 L CB 0.971 43.179 42.059 0.248 0.000 1.210 146 L HN 0.452 nan 8.230 nan 0.000 0.465 147 R N -0.402 120.157 120.500 0.099 0.000 2.799 147 R HA 0.309 4.649 4.340 -0.000 0.000 0.270 147 R C 0.546 176.832 176.300 -0.024 0.000 1.010 147 R CA -0.890 55.231 56.100 0.035 0.000 0.916 147 R CB 1.723 32.043 30.300 0.034 0.000 1.228 147 R HN 0.252 nan 8.270 nan 0.000 0.469 148 V N 1.094 120.962 119.914 -0.078 0.000 2.453 148 V HA -0.225 3.895 4.120 -0.000 0.000 0.252 148 V C 2.158 178.034 176.094 -0.364 0.000 1.068 148 V CA 2.612 64.798 62.300 -0.190 0.000 1.070 148 V CB -0.689 31.036 31.823 -0.163 0.000 0.664 148 V HN 1.087 nan 8.190 nan 0.000 0.461 149 G N -0.719 107.927 108.800 -0.257 0.000 2.432 149 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 149 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 149 G C 1.204 175.965 174.900 -0.232 0.000 1.135 149 G CA 0.792 45.703 45.100 -0.316 0.000 0.767 149 G HN 0.492 nan 8.290 nan 0.000 0.550 150 D N 0.466 120.820 120.400 -0.077 0.000 2.265 150 D HA -0.058 4.582 4.640 -0.000 0.000 0.208 150 D C 2.284 178.566 176.300 -0.030 0.000 0.977 150 D CA 0.407 54.444 54.000 0.062 0.000 0.871 150 D CB -0.055 40.871 40.800 0.209 0.000 0.925 150 D HN 0.315 nan 8.370 nan 0.000 0.485 151 L N -0.269 120.756 121.223 -0.330 0.000 2.610 151 L HA -0.013 4.327 4.340 -0.000 0.000 0.232 151 L C 1.548 178.239 176.870 -0.298 0.000 1.149 151 L CA -0.137 54.413 54.840 -0.483 0.000 0.872 151 L CB -0.187 41.524 42.059 -0.580 0.000 0.992 151 L HN -0.084 nan 8.230 nan 0.000 0.447 152 F N -0.452 119.469 119.950 -0.049 0.000 2.234 152 F HA -0.055 4.472 4.527 -0.000 0.000 0.296 152 F C 1.399 177.197 175.800 -0.004 0.000 1.089 152 F CA 0.524 58.509 58.000 -0.024 0.000 1.343 152 F CB -0.115 38.883 39.000 -0.004 0.000 1.040 152 F HN -0.012 nan 8.300 nan 0.000 0.498 153 D N 0.580 121.094 120.400 0.191 0.000 2.473 153 D HA 0.085 4.725 4.640 -0.000 0.000 0.226 153 D C 0.982 177.373 176.300 0.152 0.000 1.089 153 D CA -0.006 54.085 54.000 0.151 0.000 0.883 153 D CB 0.711 41.600 40.800 0.148 0.000 1.029 153 D HN -0.105 nan 8.370 nan 0.000 0.517 154 K N 2.404 122.872 120.400 0.114 0.000 2.113 154 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 154 K C 1.394 178.110 176.600 0.193 0.000 1.047 154 K CA 1.175 57.542 56.287 0.134 0.000 0.928 154 K CB 0.199 32.746 32.500 0.079 0.000 0.716 154 K HN 0.575 nan 8.250 nan 0.000 0.446 155 E N 0.183 120.466 120.200 0.139 0.000 2.015 155 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 155 E C 2.059 178.734 176.600 0.125 0.000 0.991 155 E CA 1.724 58.195 56.400 0.117 0.000 0.802 155 E CB -0.243 29.507 29.700 0.083 0.000 0.759 155 E HN 0.272 nan 8.360 nan 0.000 0.447 156 T N 1.300 115.932 114.554 0.129 0.000 2.788 156 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 156 T C 1.530 176.310 174.700 0.133 0.000 1.044 156 T CA 0.933 63.101 62.100 0.112 0.000 1.139 156 T CB -0.411 68.523 68.868 0.109 0.000 0.867 156 T HN 0.122 nan 8.240 nan 0.000 0.454 157 F N 2.752 122.730 119.950 0.046 0.000 2.063 157 F HA -0.167 4.359 4.527 -0.000 0.000 0.298 157 F C 2.513 178.351 175.800 0.062 0.000 1.109 157 F CA 1.147 59.171 58.000 0.041 0.000 1.212 157 F CB -0.978 38.035 39.000 0.021 0.000 0.973 157 F HN 0.173 nan 8.300 nan 0.000 0.480 158 A N -0.052 122.766 122.820 -0.003 0.000 1.883 158 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 158 A C 2.143 179.728 177.584 0.002 0.000 1.186 158 A CA 2.019 54.041 52.037 -0.024 0.000 0.624 158 A CB -1.037 18.034 19.000 0.118 0.000 0.822 158 A HN 0.601 nan 8.150 nan 0.000 0.444 159 E N -0.287 119.916 120.200 0.004 0.000 2.038 159 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 159 E C 2.150 178.719 176.600 -0.052 0.000 1.000 159 E CA 1.701 58.093 56.400 -0.014 0.000 0.803 159 E CB -0.197 29.503 29.700 0.000 0.000 0.750 159 E HN 0.611 nan 8.360 nan 0.000 0.448 160 K N 0.563 120.920 120.400 -0.071 0.000 2.009 160 K HA -0.189 4.130 4.320 -0.000 0.000 0.210 160 K C 2.193 178.720 176.600 -0.120 0.000 1.049 160 K CA 1.082 57.319 56.287 -0.083 0.000 0.929 160 K CB -0.339 32.127 32.500 -0.057 0.000 0.714 160 K HN 0.002 nan 8.250 nan 0.000 0.440 161 L N 1.994 123.077 121.223 -0.233 0.000 2.021 161 L HA -0.266 4.074 4.340 -0.000 0.000 0.215 161 L C 2.178 179.052 176.870 0.007 0.000 1.074 161 L CA 1.901 56.623 54.840 -0.197 0.000 0.760 161 L CB -0.369 41.440 42.059 -0.417 0.000 0.889 161 L HN 0.096 nan 8.230 nan 0.000 0.433 162 K N -0.656 119.789 120.400 0.076 0.000 2.097 162 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 162 K C 1.921 178.425 176.600 -0.159 0.000 1.049 162 K CA 1.840 58.043 56.287 -0.140 0.000 0.933 162 K CB -0.102 32.202 32.500 -0.327 0.000 0.717 162 K HN 0.546 nan 8.250 nan 0.000 0.442 163 E N -0.072 120.058 120.200 -0.116 0.000 2.152 163 E HA -0.123 4.226 4.350 -0.000 0.000 0.192 163 E C 1.980 178.514 176.600 -0.110 0.000 0.983 163 E CA 0.990 57.325 56.400 -0.108 0.000 0.818 163 E CB 0.188 29.832 29.700 -0.093 0.000 0.758 163 E HN 0.095 nan 8.360 nan 0.000 0.467 164 V N 1.453 121.296 119.914 -0.119 0.000 2.255 164 V HA -0.258 3.862 4.120 -0.000 0.000 0.243 164 V C 2.330 178.292 176.094 -0.219 0.000 1.038 164 V CA 1.626 63.837 62.300 -0.149 0.000 1.008 164 V CB -0.425 31.348 31.823 -0.083 0.000 0.645 164 V HN 0.299 nan 8.190 nan 0.000 0.449 165 M N -0.187 119.242 119.600 -0.286 0.000 2.202 165 M HA -0.203 4.277 4.480 -0.000 0.000 0.262 165 M C 2.280 178.511 176.300 -0.115 0.000 1.063 165 M CA 1.811 56.926 55.300 -0.308 0.000 1.097 165 M CB -0.673 31.809 32.600 -0.195 0.000 1.382 165 M HN 0.438 nan 8.290 nan 0.000 0.413 166 E N 0.631 120.777 120.200 -0.089 0.000 2.051 166 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 166 E C 1.879 178.504 176.600 0.041 0.000 0.991 166 E CA 1.646 58.027 56.400 -0.031 0.000 0.799 166 E CB -0.392 29.273 29.700 -0.059 0.000 0.748 166 E HN 0.607 nan 8.360 nan 0.000 0.449 167 Y N 1.105 121.325 120.300 -0.134 0.000 2.163 167 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 167 Y C 2.457 178.340 175.900 -0.029 0.000 1.136 167 Y CA 2.211 60.225 58.100 -0.143 0.000 1.147 167 Y CB -0.493 37.803 38.460 -0.274 0.000 0.987 167 Y HN 0.173 nan 8.280 nan 0.000 0.509 168 H N -0.122 118.943 119.070 -0.009 0.000 2.326 168 H HA -0.116 4.440 4.556 -0.000 0.000 0.301 168 H C 1.978 177.311 175.328 0.008 0.000 1.081 168 H CA 1.542 57.569 56.048 -0.034 0.000 1.334 168 H CB -0.568 29.226 29.762 0.053 0.000 1.385 168 H HN 0.353 nan 8.280 nan 0.000 0.504 169 N N 0.555 119.335 118.700 0.133 0.000 2.205 169 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 169 N C 1.844 177.408 175.510 0.091 0.000 1.015 169 N CA 0.542 53.653 53.050 0.101 0.000 0.862 169 N CB -0.616 37.907 38.487 0.061 0.000 0.986 169 N HN 0.216 nan 8.380 nan 0.000 0.429 170 F N 2.362 122.281 119.950 -0.052 0.000 2.031 170 F HA -0.245 4.282 4.527 -0.000 0.000 0.295 170 F C 2.554 178.320 175.800 -0.056 0.000 1.133 170 F CA 1.899 59.858 58.000 -0.069 0.000 1.188 170 F CB -0.555 38.373 39.000 -0.118 0.000 0.974 170 F HN 0.143 nan 8.300 nan 0.000 0.473 171 Q N 0.289 120.192 119.800 0.172 0.000 2.152 171 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 171 Q C 2.204 178.302 176.000 0.163 0.000 0.985 171 Q CA 2.152 58.012 55.803 0.095 0.000 0.863 171 Q CB -0.929 27.813 28.738 0.006 0.000 0.904 171 Q HN 0.526 nan 8.270 nan 0.000 0.422 172 L N 0.589 121.952 121.223 0.234 0.000 1.937 172 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 172 L C 2.553 179.508 176.870 0.140 0.000 1.077 172 L CA 1.229 56.243 54.840 0.290 0.000 0.758 172 L CB -0.665 41.503 42.059 0.181 0.000 0.888 172 L HN 0.121 nan 8.230 nan 0.000 0.433 173 V N 0.218 120.147 119.914 0.025 0.000 2.252 173 V HA -0.337 3.783 4.120 -0.000 0.000 0.249 173 V C 1.989 178.005 176.094 -0.131 0.000 1.056 173 V CA 2.566 64.834 62.300 -0.053 0.000 1.022 173 V CB -0.867 30.903 31.823 -0.088 0.000 0.641 173 V HN 0.489 nan 8.190 nan 0.000 0.445 174 N N -1.936 116.599 118.700 -0.274 0.000 2.333 174 N HA -0.078 4.662 4.740 -0.000 0.000 0.178 174 N C 1.688 177.091 175.510 -0.179 0.000 1.018 174 N CA 1.074 53.916 53.050 -0.346 0.000 0.882 174 N CB -0.116 37.883 38.487 -0.814 0.000 0.984 174 N HN 0.638 nan 8.380 nan 0.000 0.434 175 Y N -0.925 119.212 120.300 -0.271 0.000 2.353 175 Y HA 0.115 4.665 4.550 -0.000 0.000 0.294 175 Y C 0.845 176.558 175.900 -0.312 0.000 1.135 175 Y CA 0.824 58.737 58.100 -0.311 0.000 1.176 175 Y CB 0.061 38.266 38.460 -0.426 0.000 1.124 175 Y HN -0.009 nan 8.280 nan 0.000 0.537 176 Y N 1.014 121.333 120.300 0.031 0.000 2.511 176 Y HA 0.151 4.701 4.550 -0.000 0.000 0.279 176 Y C 0.516 176.375 175.900 -0.068 0.000 1.157 176 Y CA -0.101 57.979 58.100 -0.033 0.000 1.300 176 Y CB -0.038 38.460 38.460 0.062 0.000 1.052 176 Y HN -0.107 nan 8.280 nan 0.000 0.529 177 K N -0.730 119.685 120.400 0.025 0.000 3.035 177 K HA -0.192 4.127 4.320 -0.000 0.000 0.262 177 K C -0.038 176.580 176.600 0.029 0.000 1.024 177 K CA 0.879 57.161 56.287 -0.009 0.000 0.748 177 K CB -1.984 30.492 32.500 -0.040 0.000 1.247 177 K HN 0.334 nan 8.250 nan 0.000 0.482 178 A N 0.173 123.035 122.820 0.070 0.000 2.346 178 A HA 0.553 4.873 4.320 -0.000 0.000 0.313 178 A C -0.041 177.567 177.584 0.041 0.000 1.140 178 A CA -0.711 51.360 52.037 0.057 0.000 0.826 178 A CB 0.703 19.748 19.000 0.075 0.000 1.332 178 A HN 0.244 nan 8.150 nan 0.000 0.457 179 E N 0.338 120.556 120.200 0.030 0.000 2.481 179 E HA 0.280 4.630 4.350 -0.000 0.000 0.263 179 E C 0.446 177.070 176.600 0.040 0.000 0.992 179 E CA 0.358 56.775 56.400 0.027 0.000 0.938 179 E CB 0.462 30.176 29.700 0.023 0.000 0.933 179 E HN 0.727 nan 8.360 nan 0.000 0.453 180 A N 2.779 125.620 122.820 0.035 0.000 2.272 180 A HA 0.405 4.725 4.320 -0.000 0.000 0.275 180 A C -0.332 177.287 177.584 0.058 0.000 1.096 180 A CA -0.624 51.440 52.037 0.046 0.000 0.822 180 A CB 0.803 19.822 19.000 0.032 0.000 1.088 180 A HN 0.370 nan 8.150 nan 0.000 0.495 181 V N 1.252 121.211 119.914 0.075 0.000 2.417 181 V HA 0.228 4.348 4.120 -0.000 0.000 0.291 181 V C -0.392 175.757 176.094 0.092 0.000 1.024 181 V CA -0.622 61.732 62.300 0.090 0.000 0.861 181 V CB 1.451 33.356 31.823 0.136 0.000 0.985 181 V HN 0.936 nan 8.190 nan 0.000 0.436 182 D N 2.475 122.924 120.400 0.082 0.000 2.389 182 D HA -0.013 4.627 4.640 -0.000 0.000 0.263 182 D C 0.727 177.092 176.300 0.109 0.000 1.255 182 D CA 0.277 54.331 54.000 0.089 0.000 0.914 182 D CB 0.382 41.219 40.800 0.061 0.000 1.116 182 D HN 0.558 nan 8.370 nan 0.000 0.502 183 Y N 3.898 124.201 120.300 0.005 0.000 2.081 183 Y HA -0.312 4.238 4.550 -0.000 0.000 0.280 183 Y C 2.040 177.946 175.900 0.010 0.000 1.163 183 Y CA 2.183 60.278 58.100 -0.009 0.000 1.135 183 Y CB -0.297 38.144 38.460 -0.031 0.000 0.970 183 Y HN 0.493 nan 8.280 nan 0.000 0.498 184 Q N 1.020 120.814 119.800 -0.011 0.000 2.124 184 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 184 Q C 2.332 178.275 176.000 -0.095 0.000 0.977 184 Q CA 2.192 57.933 55.803 -0.102 0.000 0.850 184 Q CB -0.385 28.379 28.738 0.044 0.000 0.901 184 Q HN 0.589 nan 8.270 nan 0.000 0.429 185 K N -0.742 119.637 120.400 -0.036 0.000 1.978 185 K HA -0.155 4.165 4.320 -0.000 0.000 0.214 185 K C 1.829 178.409 176.600 -0.034 0.000 1.049 185 K CA 1.888 58.164 56.287 -0.018 0.000 0.939 185 K CB -0.351 32.155 32.500 0.010 0.000 0.721 185 K HN 0.149 nan 8.250 nan 0.000 0.441 186 V N 1.959 121.853 119.914 -0.034 0.000 2.252 186 V HA -0.292 3.827 4.120 -0.000 0.000 0.249 186 V C 2.523 178.596 176.094 -0.035 0.000 1.056 186 V CA 1.903 64.197 62.300 -0.010 0.000 1.022 186 V CB -0.711 31.134 31.823 0.038 0.000 0.641 186 V HN 0.399 nan 8.190 nan 0.000 0.445 187 L N 0.522 121.640 121.223 -0.174 0.000 1.990 187 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 187 L C 2.185 179.042 176.870 -0.021 0.000 1.072 187 L CA 2.226 56.978 54.840 -0.148 0.000 0.755 187 L CB -1.113 40.680 42.059 -0.444 0.000 0.889 187 L HN 0.364 nan 8.230 nan 0.000 0.432 188 D N -0.634 119.735 120.400 -0.050 0.000 2.117 188 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 188 D C 1.808 178.104 176.300 -0.008 0.000 0.982 188 D CA 1.366 55.355 54.000 -0.017 0.000 0.828 188 D CB -0.163 40.626 40.800 -0.018 0.000 0.967 188 D HN 0.447 nan 8.370 nan 0.000 0.464 189 D N 0.326 120.721 120.400 -0.008 0.000 2.123 189 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 189 D C 1.950 178.244 176.300 -0.010 0.000 0.992 189 D CA 1.243 55.239 54.000 -0.007 0.000 0.833 189 D CB -0.234 40.563 40.800 -0.005 0.000 0.954 189 D HN 0.195 nan 8.370 nan 0.000 0.455 190 T N 0.761 115.323 114.554 0.013 0.000 2.777 190 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 190 T C 1.971 176.626 174.700 -0.075 0.000 1.040 190 T CA 0.809 62.904 62.100 -0.008 0.000 1.141 190 T CB -0.122 68.805 68.868 0.097 0.000 0.868 190 T HN -0.016 nan 8.240 nan 0.000 0.444 191 M N 1.379 120.956 119.600 -0.038 0.000 2.213 191 M HA 0.075 4.555 4.480 -0.000 0.000 0.263 191 M C 2.416 178.681 176.300 -0.058 0.000 1.062 191 M CA 1.011 56.273 55.300 -0.063 0.000 1.105 191 M CB -0.720 31.875 32.600 -0.009 0.000 1.385 191 M HN 0.305 nan 8.290 nan 0.000 0.417 192 A N -0.781 122.015 122.820 -0.039 0.000 1.877 192 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 192 A C 2.139 179.698 177.584 -0.043 0.000 1.186 192 A CA 2.143 54.161 52.037 -0.032 0.000 0.620 192 A CB -1.344 17.643 19.000 -0.023 0.000 0.822 192 A HN 0.475 nan 8.150 nan 0.000 0.443 193 V N -2.911 116.970 119.914 -0.055 0.000 2.788 193 V HA 0.187 4.306 4.120 -0.000 0.000 0.251 193 V C 2.419 178.462 176.094 -0.085 0.000 1.068 193 V CA 1.228 63.491 62.300 -0.061 0.000 1.090 193 V CB -1.288 30.498 31.823 -0.062 0.000 0.710 193 V HN 0.559 nan 8.190 nan 0.000 0.467 194 A N 1.123 123.872 122.820 -0.120 0.000 1.985 194 A HA -0.381 3.939 4.320 -0.000 0.000 0.223 194 A C 1.753 179.263 177.584 -0.123 0.000 1.189 194 A CA 2.838 54.773 52.037 -0.170 0.000 0.658 194 A CB -1.119 17.744 19.000 -0.229 0.000 0.820 194 A HN 0.666 nan 8.150 nan 0.000 0.464 195 D N -0.843 119.512 120.400 -0.074 0.000 2.347 195 D HA 0.035 4.675 4.640 -0.000 0.000 0.213 195 D C 1.823 178.107 176.300 -0.026 0.000 0.985 195 D CA 0.962 54.939 54.000 -0.038 0.000 0.879 195 D CB -0.082 40.706 40.800 -0.019 0.000 0.919 195 D HN 0.756 nan 8.370 nan 0.000 0.526 196 I N -2.219 118.329 120.570 -0.036 0.000 2.480 196 I HA -0.068 4.102 4.170 -0.000 0.000 0.251 196 I C 1.799 177.899 176.117 -0.028 0.000 1.124 196 I CA 0.547 61.833 61.300 -0.024 0.000 1.444 196 I CB -0.350 37.635 38.000 -0.025 0.000 1.098 196 I HN -0.049 nan 8.210 nan 0.000 0.428 197 L N 1.908 123.097 121.223 -0.056 0.000 1.961 197 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 197 L C 3.114 179.952 176.870 -0.052 0.000 1.072 197 L CA 2.544 57.342 54.840 -0.070 0.000 0.749 197 L CB -1.154 40.832 42.059 -0.122 0.000 0.889 197 L HN 0.444 nan 8.230 nan 0.000 0.432 198 T N -2.906 111.609 114.554 -0.065 0.000 2.803 198 T HA -0.184 4.166 4.350 -0.000 0.000 0.269 198 T C 1.935 176.703 174.700 0.113 0.000 1.052 198 T CA 1.335 63.454 62.100 0.031 0.000 1.136 198 T CB -0.695 68.231 68.868 0.096 0.000 0.864 198 T HN 0.469 nan 8.240 nan 0.000 0.467 199 S N 1.461 117.196 115.700 0.059 0.000 2.442 199 S HA 0.044 4.514 4.470 -0.000 0.000 0.236 199 S C 1.869 176.499 174.600 0.050 0.000 1.007 199 S CA 0.830 59.062 58.200 0.054 0.000 0.965 199 S CB -0.709 62.509 63.200 0.029 0.000 0.773 199 S HN 0.572 nan 8.310 nan 0.000 0.504 200 M N 1.153 120.779 119.600 0.043 0.000 2.371 200 M HA 0.291 4.770 4.480 -0.000 0.000 0.246 200 M C -0.079 176.253 176.300 0.053 0.000 1.103 200 M CA -0.155 55.169 55.300 0.040 0.000 1.010 200 M CB 0.557 33.171 32.600 0.023 0.000 1.457 200 M HN 0.056 nan 8.290 nan 0.000 0.486 201 V N 1.220 121.182 119.914 0.080 0.000 2.901 201 V HA 0.078 4.198 4.120 -0.000 0.000 0.307 201 V C 0.063 176.211 176.094 0.090 0.000 1.084 201 V CA 0.271 62.633 62.300 0.104 0.000 1.184 201 V CB 1.299 33.249 31.823 0.211 0.000 0.941 201 V HN 0.141 nan 8.190 nan 0.000 0.493 202 V N 3.176 123.137 119.914 0.078 0.000 3.204 202 V HA 0.389 4.509 4.120 -0.000 0.000 0.298 202 V C -1.390 174.735 176.094 0.052 0.000 1.328 202 V CA -0.829 61.506 62.300 0.057 0.000 1.035 202 V CB 2.536 34.386 31.823 0.045 0.000 1.095 202 V HN 0.947 nan 8.190 nan 0.000 0.442 203 D N 3.071 123.494 120.400 0.038 0.000 2.422 203 D HA 0.313 4.953 4.640 -0.000 0.000 0.227 203 D C 0.882 177.192 176.300 0.017 0.000 1.190 203 D CA 0.222 54.243 54.000 0.034 0.000 0.905 203 D CB 1.382 42.198 40.800 0.027 0.000 1.034 203 D HN 0.274 nan 8.370 nan 0.000 0.507 204 V N 3.044 122.972 119.914 0.024 0.000 2.295 204 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 204 V C 2.361 178.460 176.094 0.009 0.000 1.049 204 V CA 2.034 64.338 62.300 0.007 0.000 1.024 204 V CB -0.740 31.105 31.823 0.036 0.000 0.648 204 V HN 0.574 nan 8.190 nan 0.000 0.447 205 S N 0.406 116.127 115.700 0.036 0.000 2.365 205 S HA -0.324 4.146 4.470 -0.000 0.000 0.225 205 S C 1.763 176.376 174.600 0.022 0.000 1.039 205 S CA 2.004 60.230 58.200 0.043 0.000 1.033 205 S CB -0.591 62.639 63.200 0.049 0.000 0.887 205 S HN 0.696 nan 8.310 nan 0.000 0.447 206 D N 1.126 121.532 120.400 0.011 0.000 2.097 206 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 206 D C 1.881 178.167 176.300 -0.025 0.000 0.984 206 D CA 0.674 54.674 54.000 0.000 0.000 0.826 206 D CB -0.312 40.491 40.800 0.005 0.000 0.973 206 D HN 0.246 nan 8.370 nan 0.000 0.460 207 L N 0.254 121.449 121.223 -0.046 0.000 2.046 207 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 207 L C 1.942 178.715 176.870 -0.162 0.000 1.077 207 L CA 1.584 56.362 54.840 -0.104 0.000 0.747 207 L CB -0.544 41.431 42.059 -0.140 0.000 0.896 207 L HN 0.182 nan 8.230 nan 0.000 0.432 208 L N -0.680 120.465 121.223 -0.130 0.000 2.141 208 L HA -0.149 4.190 4.340 -0.000 0.000 0.209 208 L C 2.232 179.076 176.870 -0.043 0.000 1.094 208 L CA 1.248 56.030 54.840 -0.097 0.000 0.763 208 L CB -0.723 41.345 42.059 0.015 0.000 0.908 208 L HN 0.329 nan 8.230 nan 0.000 0.437 209 D N -0.145 120.237 120.400 -0.029 0.000 2.144 209 D HA -0.189 4.450 4.640 -0.000 0.000 0.200 209 D C 2.255 178.520 176.300 -0.058 0.000 0.978 209 D CA 1.225 55.201 54.000 -0.041 0.000 0.833 209 D CB 0.166 40.959 40.800 -0.011 0.000 0.961 209 D HN 0.257 nan 8.370 nan 0.000 0.470 210 Q N -0.364 119.410 119.800 -0.044 0.000 2.046 210 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 210 Q C 2.235 178.224 176.000 -0.019 0.000 0.975 210 Q CA 1.357 57.143 55.803 -0.029 0.000 0.836 210 Q CB -0.183 28.546 28.738 -0.016 0.000 0.896 210 Q HN 0.327 nan 8.270 nan 0.000 0.428 211 A N 1.297 124.106 122.820 -0.019 0.000 1.940 211 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 211 A C 2.057 179.655 177.584 0.023 0.000 1.176 211 A CA 1.305 53.367 52.037 0.041 0.000 0.631 211 A CB -0.551 18.474 19.000 0.043 0.000 0.814 211 A HN 0.164 nan 8.150 nan 0.000 0.446 212 R N -0.211 120.270 120.500 -0.032 0.000 2.091 212 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 212 R C 2.210 178.459 176.300 -0.085 0.000 1.136 212 R CA 2.139 58.184 56.100 -0.091 0.000 0.959 212 R CB -0.394 29.753 30.300 -0.255 0.000 0.856 212 R HN 0.765 nan 8.270 nan 0.000 0.437 213 Q N -0.539 119.217 119.800 -0.074 0.000 2.083 213 Q HA -0.064 4.276 4.340 -0.000 0.000 0.198 213 Q C 2.149 178.134 176.000 -0.025 0.000 0.969 213 Q CA 1.217 56.989 55.803 -0.051 0.000 0.838 213 Q CB -0.034 28.679 28.738 -0.042 0.000 0.900 213 Q HN 0.272 nan 8.270 nan 0.000 0.436 214 R N -0.339 120.153 120.500 -0.013 0.000 2.235 214 R HA -0.010 4.330 4.340 -0.000 0.000 0.213 214 R C 0.853 177.144 176.300 -0.016 0.000 1.059 214 R CA 0.672 56.765 56.100 -0.011 0.000 0.997 214 R CB 0.025 30.325 30.300 -0.000 0.000 0.884 214 R HN 0.398 nan 8.270 nan 0.000 0.462 215 G N 1.994 110.795 108.800 0.003 0.000 2.182 215 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 215 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 215 G C -0.603 174.301 174.900 0.006 0.000 1.042 215 G CA 0.010 45.124 45.100 0.023 0.000 0.775 215 G HN 0.245 nan 8.290 nan 0.000 0.501 216 D N -0.506 119.915 120.400 0.035 0.000 2.344 216 D HA 0.490 5.130 4.640 -0.000 0.000 0.244 216 D C 0.625 177.052 176.300 0.211 0.000 1.134 216 D CA -0.019 53.992 54.000 0.017 0.000 0.930 216 D CB 0.362 41.238 40.800 0.126 0.000 1.175 216 D HN -0.038 nan 8.370 nan 0.000 0.437 217 F N 0.623 120.556 119.950 -0.030 0.000 2.404 217 F HA 0.292 4.819 4.527 -0.000 0.000 0.345 217 F C 0.456 176.309 175.800 0.088 0.000 1.110 217 F CA -0.930 57.049 58.000 -0.036 0.000 1.130 217 F CB 0.780 39.502 39.000 -0.463 0.000 1.129 217 F HN -0.155 nan 8.300 nan 0.000 0.500 218 V N 5.312 125.466 119.914 0.400 0.000 2.656 218 V HA 0.484 4.604 4.120 -0.000 0.000 0.307 218 V C -0.443 175.806 176.094 0.258 0.000 1.051 218 V CA -0.858 61.595 62.300 0.255 0.000 0.893 218 V CB 2.047 33.956 31.823 0.143 0.000 0.999 218 V HN 0.689 nan 8.190 nan 0.000 0.426 219 M N 5.301 124.970 119.600 0.116 0.000 2.243 219 M HA 0.707 5.187 4.480 -0.000 0.000 0.324 219 M C -1.879 174.402 176.300 -0.032 0.000 1.031 219 M CA 0.073 55.462 55.300 0.149 0.000 0.949 219 M CB 1.235 33.959 32.600 0.207 0.000 1.615 219 M HN 0.403 nan 8.290 nan 0.000 0.430 220 F N 2.502 122.559 119.950 0.178 0.000 2.443 220 F HA 0.466 4.993 4.527 -0.000 0.000 0.335 220 F C 0.156 176.125 175.800 0.282 0.000 1.104 220 F CA -0.375 57.770 58.000 0.242 0.000 1.013 220 F CB 1.498 40.609 39.000 0.185 0.000 1.136 220 F HN 0.590 nan 8.300 nan 0.000 0.470 221 E N 2.452 122.909 120.200 0.428 0.000 2.149 221 E HA 0.473 4.823 4.350 -0.000 0.000 0.255 221 E C -0.207 176.502 176.600 0.181 0.000 0.888 221 E CA -0.566 56.006 56.400 0.287 0.000 0.742 221 E CB 0.853 30.675 29.700 0.203 0.000 1.164 221 E HN 0.799 nan 8.360 nan 0.000 0.422 222 G N 2.638 111.561 108.800 0.205 0.000 2.539 222 G HA2 0.533 4.493 3.960 -0.000 0.000 0.258 222 G HA3 0.533 4.493 3.960 -0.000 0.000 0.258 222 G C -0.457 174.472 174.900 0.047 0.000 1.202 222 G CA 0.053 45.106 45.100 -0.078 0.000 0.851 222 G HN 0.619 nan 8.290 nan 0.000 0.556 223 A N 0.007 122.794 122.820 -0.056 0.000 2.392 223 A HA 0.822 5.141 4.320 -0.000 0.000 0.283 223 A C 0.414 178.020 177.584 0.037 0.000 1.197 223 A CA -0.040 52.011 52.037 0.025 0.000 0.895 223 A CB 0.704 19.627 19.000 -0.129 0.000 1.400 223 A HN 0.854 nan 8.150 nan 0.000 0.461 224 Q N -1.914 117.916 119.800 0.050 0.000 1.520 224 Q HA -0.040 4.300 4.340 -0.000 0.000 0.380 224 Q C 0.309 176.345 176.000 0.061 0.000 0.930 224 Q CA 2.490 58.324 55.803 0.051 0.000 0.725 224 Q CB -1.499 27.257 28.738 0.030 0.000 4.230 224 Q HN 2.164 nan 8.270 nan 0.000 0.635 225 G N -3.347 105.479 108.800 0.043 0.000 2.646 225 G HA2 0.461 4.421 3.960 -0.000 0.000 0.291 225 G HA3 0.461 4.421 3.960 -0.000 0.000 0.291 225 G C 0.098 174.987 174.900 -0.018 0.000 1.445 225 G CA 0.059 45.168 45.100 0.016 0.000 0.814 225 G HN 0.399 nan 8.290 nan 0.000 0.495 226 T N 0.714 115.243 114.554 -0.043 0.000 2.624 226 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 226 T C 2.242 176.893 174.700 -0.082 0.000 1.050 226 T CA 1.885 63.955 62.100 -0.051 0.000 1.163 226 T CB -0.364 68.462 68.868 -0.070 0.000 0.861 226 T HN 0.292 nan 8.240 nan 0.000 0.443 227 L N 0.376 121.450 121.223 -0.248 0.000 2.650 227 L HA 0.192 4.532 4.340 -0.000 0.000 0.235 227 L C 1.529 178.374 176.870 -0.042 0.000 1.149 227 L CA 0.316 55.002 54.840 -0.256 0.000 0.887 227 L CB -0.255 41.366 42.059 -0.729 0.000 1.021 227 L HN 0.248 nan 8.230 nan 0.000 0.441 228 L N -1.367 119.865 121.223 0.015 0.000 2.693 228 L HA 0.147 4.487 4.340 -0.000 0.000 0.235 228 L C 0.778 177.684 176.870 0.061 0.000 1.127 228 L CA -0.158 54.735 54.840 0.089 0.000 0.914 228 L CB 0.130 42.246 42.059 0.096 0.000 1.193 228 L HN 0.178 nan 8.230 nan 0.000 0.502 229 D N 1.065 121.500 120.400 0.058 0.000 2.458 229 D HA -0.085 4.555 4.640 -0.000 0.000 0.243 229 D C 1.192 177.521 176.300 0.047 0.000 1.146 229 D CA 0.024 54.058 54.000 0.055 0.000 0.877 229 D CB 1.613 42.475 40.800 0.103 0.000 1.176 229 D HN 0.039 nan 8.370 nan 0.000 0.461 230 I N 3.887 124.459 120.570 0.004 0.000 2.335 230 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 230 I C 1.514 177.611 176.117 -0.034 0.000 1.129 230 I CA 1.551 62.862 61.300 0.018 0.000 1.402 230 I CB 0.044 38.022 38.000 -0.038 0.000 1.069 230 I HN 0.431 nan 8.210 nan 0.000 0.424 231 D N -1.004 119.306 120.400 -0.150 0.000 2.202 231 D HA -0.039 4.601 4.640 -0.000 0.000 0.214 231 D C 1.450 177.531 176.300 -0.365 0.000 0.967 231 D CA 1.016 54.799 54.000 -0.361 0.000 0.871 231 D CB -0.118 40.305 40.800 -0.629 0.000 1.020 231 D HN 0.496 nan 8.370 nan 0.000 0.474 232 H N 0.080 119.168 119.070 0.030 0.000 2.586 232 H HA 0.283 4.839 4.556 -0.000 0.000 0.273 232 H C 1.247 176.636 175.328 0.102 0.000 0.997 232 H CA -0.030 56.051 56.048 0.055 0.000 1.177 232 H CB 0.595 30.376 29.762 0.031 0.000 1.471 232 H HN -0.005 nan 8.280 nan 0.000 0.538 233 G N 0.878 109.787 108.800 0.182 0.000 2.508 233 G HA2 0.101 4.061 3.960 -0.000 0.000 0.278 233 G HA3 0.101 4.061 3.960 -0.000 0.000 0.278 233 G C 0.423 175.470 174.900 0.244 0.000 1.389 233 G CA -0.181 45.028 45.100 0.182 0.000 1.050 233 G HN 0.265 nan 8.290 nan 0.000 0.522 234 T N -1.945 112.729 114.554 0.199 0.000 4.058 234 T HA 0.207 4.556 4.350 -0.000 0.000 0.252 234 T C 0.070 174.886 174.700 0.193 0.000 1.264 234 T CA -0.531 61.659 62.100 0.149 0.000 1.094 234 T CB -0.795 67.993 68.868 -0.132 0.000 1.316 234 T HN 0.337 nan 8.240 nan 0.000 0.872 235 Y N 3.797 124.148 120.300 0.085 0.000 2.811 235 Y HA 0.131 4.681 4.550 -0.000 0.000 0.334 235 Y C -1.203 174.672 175.900 -0.042 0.000 1.247 235 Y CA -1.431 56.674 58.100 0.008 0.000 1.526 235 Y CB 0.920 39.387 38.460 0.012 0.000 1.284 235 Y HN 0.268 nan 8.280 nan 0.000 0.586 236 P HA -0.038 nan 4.420 nan 0.000 0.255 236 P C -0.939 175.961 177.300 -0.666 0.000 1.248 236 P CA 0.544 62.999 63.100 -1.074 0.000 0.807 236 P CB 0.024 31.052 31.700 -1.119 0.000 1.150 237 Y N 0.620 120.826 120.300 -0.157 0.000 2.573 237 Y HA 0.347 4.897 4.550 -0.000 0.000 0.346 237 Y C 0.858 176.730 175.900 -0.045 0.000 1.198 237 Y CA 0.040 58.080 58.100 -0.100 0.000 1.627 237 Y CB -0.220 38.179 38.460 -0.101 0.000 1.457 237 Y HN -0.209 nan 8.280 nan 0.000 0.483 238 V N 0.823 120.745 119.914 0.013 0.000 3.282 238 V HA 0.365 4.485 4.120 -0.000 0.000 0.295 238 V C -0.367 175.735 176.094 0.015 0.000 1.451 238 V CA -0.803 61.527 62.300 0.050 0.000 1.062 238 V CB 2.735 34.605 31.823 0.077 0.000 1.128 238 V HN 0.482 nan 8.190 nan 0.000 0.456 239 T N 0.293 114.858 114.554 0.019 0.000 2.881 239 T HA 0.360 4.710 4.350 -0.000 0.000 0.278 239 T C 0.835 175.501 174.700 -0.057 0.000 0.982 239 T CA 0.415 62.507 62.100 -0.014 0.000 0.989 239 T CB 1.459 70.321 68.868 -0.010 0.000 1.058 239 T HN 0.745 nan 8.240 nan 0.000 0.529 240 S N 1.207 116.838 115.700 -0.114 0.000 2.631 240 S HA 0.179 4.649 4.470 -0.000 0.000 0.217 240 S C 0.556 174.827 174.600 -0.547 0.000 0.958 240 S CA -0.366 57.697 58.200 -0.230 0.000 0.920 240 S CB -0.171 62.951 63.200 -0.130 0.000 0.776 240 S HN 0.769 nan 8.310 nan 0.000 0.517 241 S N 0.889 116.296 115.700 -0.488 0.000 2.677 241 S HA 0.518 4.988 4.470 -0.000 0.000 0.304 241 S C -0.867 173.632 174.600 -0.167 0.000 1.108 241 S CA -1.094 56.811 58.200 -0.491 0.000 0.944 241 S CB 0.700 63.638 63.200 -0.436 0.000 1.127 241 S HN 0.156 nan 8.310 nan 0.000 0.511 242 N N 1.046 119.706 118.700 -0.066 0.000 2.430 242 N HA 0.307 5.046 4.740 -0.000 0.000 0.265 242 N C 0.984 176.557 175.510 0.104 0.000 1.100 242 N CA -0.034 53.033 53.050 0.029 0.000 0.961 242 N CB 1.178 39.698 38.487 0.055 0.000 1.075 242 N HN 0.806 nan 8.380 nan 0.000 0.478 243 T N -2.384 112.227 114.554 0.096 0.000 3.057 243 T HA -0.026 4.324 4.350 -0.000 0.000 0.254 243 T C 1.066 175.875 174.700 0.181 0.000 1.094 243 T CA -0.091 62.084 62.100 0.125 0.000 1.088 243 T CB -0.329 68.577 68.868 0.064 0.000 0.934 243 T HN 0.518 nan 8.240 nan 0.000 0.497 244 T N -0.054 114.582 114.554 0.138 0.000 2.802 244 T HA 0.583 4.933 4.350 -0.000 0.000 0.305 244 T C 1.758 176.497 174.700 0.064 0.000 1.053 244 T CA -0.179 61.975 62.100 0.090 0.000 1.058 244 T CB 0.883 69.793 68.868 0.070 0.000 0.988 244 T HN 0.208 nan 8.240 nan 0.000 0.539 245 A N 1.026 123.836 122.820 -0.017 0.000 2.139 245 A HA 0.084 4.404 4.320 -0.000 0.000 0.221 245 A C 2.406 179.879 177.584 -0.185 0.000 1.159 245 A CA 1.660 53.625 52.037 -0.120 0.000 0.662 245 A CB -1.575 17.350 19.000 -0.126 0.000 0.796 245 A HN 1.116 nan 8.150 nan 0.000 0.463 246 G N -0.710 108.030 108.800 -0.101 0.000 2.471 246 G HA2 0.092 4.052 3.960 -0.000 0.000 0.219 246 G HA3 0.092 4.052 3.960 -0.000 0.000 0.219 246 G C 1.326 176.162 174.900 -0.106 0.000 1.125 246 G CA 0.960 46.002 45.100 -0.096 0.000 0.775 246 G HN 0.688 nan 8.290 nan 0.000 0.548 247 G N 0.204 108.961 108.800 -0.071 0.000 2.679 247 G HA2 0.027 3.987 3.960 -0.000 0.000 0.212 247 G HA3 0.027 3.987 3.960 -0.000 0.000 0.212 247 G C 1.553 176.313 174.900 -0.234 0.000 1.137 247 G CA 0.799 45.901 45.100 0.003 0.000 0.787 247 G HN 0.303 nan 8.290 nan 0.000 0.534 248 V N 1.233 120.775 119.914 -0.619 0.000 2.307 248 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 248 V C 3.228 179.072 176.094 -0.416 0.000 1.045 248 V CA 2.015 63.801 62.300 -0.857 0.000 1.024 248 V CB -0.677 30.537 31.823 -1.016 0.000 0.651 248 V HN 0.442 nan 8.190 nan 0.000 0.449 249 A N -0.722 121.923 122.820 -0.291 0.000 1.855 249 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 249 A C 2.413 179.964 177.584 -0.055 0.000 1.191 249 A CA 2.448 54.393 52.037 -0.154 0.000 0.613 249 A CB -1.165 17.755 19.000 -0.134 0.000 0.829 249 A HN 0.426 nan 8.150 nan 0.000 0.442 250 T N -0.585 113.947 114.554 -0.037 0.000 2.737 250 T HA -0.073 4.277 4.350 -0.000 0.000 0.269 250 T C 1.556 176.299 174.700 0.071 0.000 1.040 250 T CA 1.728 63.840 62.100 0.020 0.000 1.142 250 T CB -0.326 68.558 68.868 0.026 0.000 0.861 250 T HN 0.564 nan 8.240 nan 0.000 0.456 251 G N -0.481 108.379 108.800 0.100 0.000 3.126 251 G HA2 0.175 4.135 3.960 -0.000 0.000 0.224 251 G HA3 0.175 4.135 3.960 -0.000 0.000 0.224 251 G C 1.331 176.353 174.900 0.204 0.000 1.142 251 G CA 0.709 45.921 45.100 0.187 0.000 0.759 251 G HN 0.582 nan 8.290 nan 0.000 0.550 252 S N -2.345 113.451 115.700 0.160 0.000 2.653 252 S HA 0.391 4.861 4.470 -0.000 0.000 0.259 252 S C 1.614 176.298 174.600 0.140 0.000 1.076 252 S CA 1.074 59.397 58.200 0.204 0.000 1.051 252 S CB 0.426 63.855 63.200 0.383 0.000 0.994 252 S HN 1.401 nan 8.310 nan 0.000 0.552 253 G N 1.242 110.095 108.800 0.088 0.000 2.141 253 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.242 253 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.242 253 G C -0.234 174.711 174.900 0.075 0.000 0.982 253 G CA 0.183 45.325 45.100 0.070 0.000 0.662 253 G HN 0.810 nan 8.290 nan 0.000 0.527 254 L N 2.168 123.436 121.223 0.074 0.000 2.331 254 L HA 0.714 5.054 4.340 -0.000 0.000 0.278 254 L C 1.159 178.066 176.870 0.061 0.000 1.106 254 L CA 0.210 55.115 54.840 0.108 0.000 0.824 254 L CB 0.769 42.902 42.059 0.123 0.000 1.142 254 L HN 0.477 nan 8.230 nan 0.000 0.443 255 G N 5.601 114.485 108.800 0.140 0.000 2.321 255 G HA2 0.155 4.115 3.960 -0.000 0.000 0.237 255 G HA3 0.155 4.115 3.960 -0.000 0.000 0.237 255 G C -1.630 173.175 174.900 -0.159 0.000 1.282 255 G CA -0.470 44.618 45.100 -0.021 0.000 0.886 255 G HN 0.750 nan 8.290 nan 0.000 0.528 256 P HA -0.129 nan 4.420 nan 0.000 0.221 256 P C 1.372 178.520 177.300 -0.254 0.000 1.145 256 P CA 0.843 63.824 63.100 -0.198 0.000 0.795 256 P CB 0.251 31.857 31.700 -0.155 0.000 0.775 257 R N -1.545 118.706 120.500 -0.414 0.000 2.339 257 R HA -0.032 4.308 4.340 -0.000 0.000 0.199 257 R C 1.160 177.200 176.300 -0.433 0.000 1.018 257 R CA 0.672 56.505 56.100 -0.446 0.000 1.036 257 R CB -0.346 29.648 30.300 -0.510 0.000 0.899 257 R HN 0.313 nan 8.270 nan 0.000 0.473 258 Y N -0.513 119.769 120.300 -0.030 0.000 2.457 258 Y HA 0.131 4.681 4.550 -0.000 0.000 0.263 258 Y C 0.587 176.483 175.900 -0.006 0.000 1.164 258 Y CA -0.848 57.251 58.100 -0.002 0.000 1.274 258 Y CB 0.338 38.812 38.460 0.022 0.000 1.097 258 Y HN -0.293 nan 8.280 nan 0.000 0.523 259 V N 2.230 122.160 119.914 0.028 0.000 2.439 259 V HA 0.016 4.136 4.120 -0.000 0.000 0.271 259 V C 0.575 176.686 176.094 0.029 0.000 1.040 259 V CA -0.014 62.279 62.300 -0.012 0.000 1.002 259 V CB 0.937 32.689 31.823 -0.119 0.000 1.000 259 V HN 0.286 nan 8.190 nan 0.000 0.477 260 D N 2.613 123.062 120.400 0.081 0.000 2.277 260 D HA 0.063 4.703 4.640 -0.000 0.000 0.209 260 D C -0.090 176.277 176.300 0.111 0.000 0.970 260 D CA 1.145 55.198 54.000 0.090 0.000 0.874 260 D CB 0.665 41.532 40.800 0.112 0.000 0.982 260 D HN 0.555 nan 8.370 nan 0.000 0.504 261 Y N 0.534 120.794 120.300 -0.067 0.000 2.482 261 Y HA 0.349 4.898 4.550 -0.000 0.000 0.334 261 Y C -1.735 174.101 175.900 -0.106 0.000 1.091 261 Y CA -0.949 57.090 58.100 -0.103 0.000 1.027 261 Y CB 1.587 39.964 38.460 -0.138 0.000 1.306 261 Y HN -0.391 nan 8.280 nan 0.000 0.446 262 V N 7.373 127.189 119.914 -0.163 0.000 2.350 262 V HA 0.376 4.496 4.120 -0.000 0.000 0.285 262 V C -0.821 175.192 176.094 -0.135 0.000 1.014 262 V CA -0.720 61.528 62.300 -0.087 0.000 0.831 262 V CB 1.245 32.972 31.823 -0.160 0.000 1.000 262 V HN 0.648 nan 8.190 nan 0.000 0.433 263 L N 5.018 126.312 121.223 0.119 0.000 2.264 263 L HA 0.791 5.131 4.340 -0.000 0.000 0.289 263 L C 0.688 177.595 176.870 0.062 0.000 1.044 263 L CA 0.384 55.312 54.840 0.147 0.000 0.807 263 L CB 1.044 43.234 42.059 0.219 0.000 1.192 263 L HN 0.689 nan 8.230 nan 0.000 0.425 264 G N 6.575 115.396 108.800 0.035 0.000 2.329 264 G HA2 0.451 4.411 3.960 -0.000 0.000 0.309 264 G HA3 0.451 4.411 3.960 -0.000 0.000 0.309 264 G C -0.388 174.653 174.900 0.236 0.000 1.110 264 G CA -0.567 44.611 45.100 0.129 0.000 0.923 264 G HN 0.483 nan 8.290 nan 0.000 0.430 265 I N 3.045 123.699 120.570 0.141 0.000 2.396 265 I HA 0.176 4.346 4.170 -0.000 0.000 0.289 265 I C -0.327 175.832 176.117 0.071 0.000 1.056 265 I CA -0.688 60.666 61.300 0.091 0.000 1.365 265 I CB 1.115 39.136 38.000 0.036 0.000 1.407 265 I HN 0.181 nan 8.210 nan 0.000 0.509 266 L N 7.748 128.988 121.223 0.027 0.000 2.316 266 L HA 0.392 4.732 4.340 -0.000 0.000 0.280 266 L C 0.049 176.872 176.870 -0.078 0.000 1.006 266 L CA -0.510 54.279 54.840 -0.085 0.000 0.836 266 L CB 0.980 42.851 42.059 -0.315 0.000 1.221 266 L HN 0.504 nan 8.230 nan 0.000 0.418 267 K N 3.385 123.734 120.400 -0.085 0.000 2.326 267 K HA 0.411 4.731 4.320 -0.000 0.000 0.275 267 K C 1.111 177.670 176.600 -0.068 0.000 1.018 267 K CA 0.602 56.812 56.287 -0.128 0.000 0.962 267 K CB 1.457 33.800 32.500 -0.261 0.000 0.953 267 K HN 0.768 nan 8.250 nan 0.000 0.475 268 A N 3.939 126.780 122.820 0.035 0.000 2.178 268 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 268 A C -0.127 177.710 177.584 0.422 0.000 1.157 268 A CA 1.044 53.251 52.037 0.284 0.000 0.689 268 A CB -0.661 18.602 19.000 0.439 0.000 0.787 268 A HN 0.732 nan 8.150 nan 0.000 0.465 269 Y N -4.294 116.148 120.300 0.238 0.000 2.677 269 Y HA 0.765 5.315 4.550 -0.000 0.000 0.334 269 Y C -0.196 175.843 175.900 0.232 0.000 1.154 269 Y CA -1.528 56.729 58.100 0.262 0.000 1.070 269 Y CB 0.394 38.965 38.460 0.184 0.000 1.294 269 Y HN -0.179 nan 8.280 nan 0.000 0.475 270 S N 0.540 116.486 115.700 0.409 0.000 2.608 270 S HA 0.808 5.278 4.470 -0.000 0.000 0.291 270 S C -0.602 174.196 174.600 0.329 0.000 1.146 270 S CA -0.236 58.177 58.200 0.355 0.000 1.043 270 S CB 1.413 64.985 63.200 0.621 0.000 1.037 270 S HN 0.924 nan 8.310 nan 0.000 0.520 271 T N -0.222 114.395 114.554 0.105 0.000 2.843 271 T HA 0.766 5.115 4.350 -0.000 0.000 0.302 271 T C -1.024 173.515 174.700 -0.267 0.000 1.232 271 T CA -1.023 61.078 62.100 0.001 0.000 1.009 271 T CB 1.816 70.702 68.868 0.030 0.000 1.254 271 T HN 0.644 nan 8.240 nan 0.000 0.504 272 R N 0.464 120.775 120.500 -0.314 0.000 2.629 272 R HA 0.652 4.992 4.340 -0.000 0.000 0.266 272 R C -2.204 173.973 176.300 -0.205 0.000 1.051 272 R CA -0.773 55.070 56.100 -0.429 0.000 0.895 272 R CB 2.230 31.942 30.300 -0.979 0.000 1.246 272 R HN 0.686 nan 8.270 nan 0.000 0.459 273 V N 2.337 122.166 119.914 -0.143 0.000 2.531 273 V HA 0.880 5.000 4.120 -0.000 0.000 0.301 273 V C 0.394 176.439 176.094 -0.081 0.000 1.034 273 V CA 0.077 62.331 62.300 -0.077 0.000 0.865 273 V CB 1.026 32.831 31.823 -0.030 0.000 0.995 273 V HN 1.150 nan 8.190 nan 0.000 0.424 274 G N 3.028 111.784 108.800 -0.074 0.000 2.566 274 G HA2 0.418 4.378 3.960 -0.000 0.000 0.599 274 G HA3 0.418 4.378 3.960 -0.000 0.000 0.599 274 G C -0.172 174.654 174.900 -0.124 0.000 1.292 274 G CA 0.054 45.116 45.100 -0.064 0.000 0.922 274 G HN 1.636 nan 8.290 nan 0.000 0.514 275 A N -0.954 121.786 122.820 -0.134 0.000 2.267 275 A HA 1.138 5.458 4.320 -0.000 0.000 0.271 275 A C 1.390 178.657 177.584 -0.528 0.000 1.131 275 A CA 1.370 53.206 52.037 -0.335 0.000 0.818 275 A CB 0.453 19.218 19.000 -0.391 0.000 1.118 275 A HN 3.021 nan 8.150 nan 0.000 0.501 276 G N -1.604 106.686 108.800 -0.849 0.000 2.428 276 G HA2 0.278 4.238 3.960 -0.000 0.000 0.681 276 G HA3 0.278 4.238 3.960 -0.000 0.000 0.681 276 G C -3.300 171.351 174.900 -0.415 0.000 1.340 276 G CA -0.562 44.137 45.100 -0.668 0.000 0.915 276 G HN 0.703 nan 8.290 nan 0.000 0.645 277 P HA 0.537 nan 4.420 nan 0.000 0.269 277 P C -0.436 176.714 177.300 -0.250 0.000 1.217 277 P CA 0.057 63.018 63.100 -0.231 0.000 0.783 277 P CB 0.263 31.741 31.700 -0.369 0.000 0.898 278 F N 2.766 122.555 119.950 -0.267 0.000 3.457 278 F HA 0.242 4.769 4.527 -0.000 0.000 0.429 278 F C -2.333 173.444 175.800 -0.039 0.000 1.029 278 F CA -2.375 55.429 58.000 -0.326 0.000 1.385 278 F CB -0.212 38.505 39.000 -0.472 0.000 2.701 278 F HN 0.189 nan 8.300 nan 0.000 0.714 279 P HA -0.186 nan 4.420 nan 0.000 0.217 279 P C 1.349 178.723 177.300 0.123 0.000 1.158 279 P CA 2.614 65.845 63.100 0.217 0.000 0.887 279 P CB 0.110 31.958 31.700 0.246 0.000 0.792 280 T N -4.093 110.554 114.554 0.154 0.000 3.244 280 T HA 0.148 4.498 4.350 -0.000 0.000 0.254 280 T C 0.373 174.858 174.700 -0.358 0.000 1.024 280 T CA -0.472 61.708 62.100 0.133 0.000 0.920 280 T CB -0.736 68.409 68.868 0.462 0.000 1.042 280 T HN 0.115 nan 8.240 nan 0.000 0.572 281 E N 1.271 120.903 120.200 -0.947 0.000 2.414 281 E HA 0.252 4.601 4.350 -0.000 0.000 0.263 281 E C -0.706 175.404 176.600 -0.816 0.000 1.000 281 E CA -0.264 55.365 56.400 -1.285 0.000 0.914 281 E CB 0.417 29.357 29.700 -1.266 0.000 0.948 281 E HN 0.479 nan 8.360 nan 0.000 0.444 282 L N 4.906 125.637 121.223 -0.820 0.000 2.309 282 L HA 0.277 4.617 4.340 -0.000 0.000 0.282 282 L C -0.175 176.258 176.870 -0.729 0.000 1.036 282 L CA -0.515 53.961 54.840 -0.608 0.000 0.806 282 L CB 0.818 42.559 42.059 -0.530 0.000 1.220 282 L HN 0.717 nan 8.230 nan 0.000 0.429 283 F N -0.353 119.508 119.950 -0.148 0.000 2.688 283 F HA 0.117 4.644 4.527 -0.000 0.000 0.310 283 F C 0.707 176.451 175.800 -0.094 0.000 1.098 283 F CA -0.843 57.091 58.000 -0.111 0.000 1.228 283 F CB 0.203 39.152 39.000 -0.086 0.000 1.042 283 F HN 0.518 nan 8.300 nan 0.000 0.557 284 D N -1.328 119.080 120.400 0.013 0.000 2.570 284 D HA 0.129 4.769 4.640 -0.000 0.000 0.266 284 D C 1.273 177.540 176.300 -0.055 0.000 1.182 284 D CA -0.441 53.553 54.000 -0.010 0.000 1.088 284 D CB 0.156 40.948 40.800 -0.014 0.000 1.186 284 D HN -0.130 nan 8.370 nan 0.000 0.618 285 E N -0.377 119.790 120.200 -0.055 0.000 2.160 285 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 285 E C 1.935 178.485 176.600 -0.082 0.000 0.991 285 E CA 1.500 57.864 56.400 -0.060 0.000 0.810 285 E CB -1.145 28.514 29.700 -0.068 0.000 0.742 285 E HN 0.557 nan 8.360 nan 0.000 0.466 286 T N 0.937 115.406 114.554 -0.142 0.000 2.812 286 T HA -0.040 4.310 4.350 -0.000 0.000 0.264 286 T C 2.036 176.583 174.700 -0.254 0.000 1.042 286 T CA 1.352 63.324 62.100 -0.213 0.000 1.140 286 T CB -0.655 68.005 68.868 -0.347 0.000 0.870 286 T HN 0.427 nan 8.240 nan 0.000 0.445 287 G N 1.251 109.882 108.800 -0.282 0.000 2.446 287 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 287 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 287 G C 1.383 176.157 174.900 -0.209 0.000 1.168 287 G CA 1.123 46.044 45.100 -0.298 0.000 0.771 287 G HN 0.594 nan 8.290 nan 0.000 0.551 288 E N -0.609 119.515 120.200 -0.126 0.000 2.085 288 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 288 E C 2.111 178.667 176.600 -0.073 0.000 0.994 288 E CA 0.961 57.314 56.400 -0.079 0.000 0.801 288 E CB -0.282 29.402 29.700 -0.026 0.000 0.743 288 E HN 0.381 nan 8.360 nan 0.000 0.453 289 F N 1.343 121.164 119.950 -0.214 0.000 2.075 289 F HA -0.159 4.368 4.527 -0.000 0.000 0.297 289 F C 2.043 177.671 175.800 -0.286 0.000 1.113 289 F CA 1.464 59.332 58.000 -0.220 0.000 1.218 289 F CB -0.377 38.491 39.000 -0.221 0.000 0.984 289 F HN -0.001 nan 8.300 nan 0.000 0.472 290 L N -0.820 120.192 121.223 -0.351 0.000 2.042 290 L HA -0.308 4.032 4.340 -0.000 0.000 0.210 290 L C 2.844 179.402 176.870 -0.519 0.000 1.076 290 L CA 1.473 55.946 54.840 -0.611 0.000 0.749 290 L CB -1.207 40.430 42.059 -0.705 0.000 0.893 290 L HN 0.403 nan 8.230 nan 0.000 0.432 291 C N 0.456 119.530 119.300 -0.377 0.000 2.429 291 C HA -0.156 4.303 4.460 -0.000 0.000 0.277 291 C C 2.891 177.581 174.990 -0.501 0.000 1.262 291 C CA 1.037 59.835 59.018 -0.367 0.000 1.733 291 C CB -0.541 27.013 27.740 -0.310 0.000 2.010 291 C HN 0.417 nan 8.230 nan 0.000 0.483 292 K N -0.377 119.763 120.400 -0.434 0.000 2.031 292 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 292 K C 2.326 178.712 176.600 -0.358 0.000 1.049 292 K CA 1.220 57.281 56.287 -0.377 0.000 0.939 292 K CB -0.244 32.147 32.500 -0.182 0.000 0.717 292 K HN 0.491 nan 8.250 nan 0.000 0.438 293 Q N -0.219 119.275 119.800 -0.510 0.000 2.230 293 Q HA -0.033 4.307 4.340 -0.000 0.000 0.202 293 Q C 2.172 178.006 176.000 -0.276 0.000 0.963 293 Q CA 1.364 56.894 55.803 -0.455 0.000 0.866 293 Q CB -0.255 28.034 28.738 -0.749 0.000 0.931 293 Q HN 0.446 nan 8.270 nan 0.000 0.452 294 G N 0.884 109.515 108.800 -0.281 0.000 2.511 294 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 294 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 294 G C 0.491 175.353 174.900 -0.063 0.000 1.133 294 G CA 0.411 45.471 45.100 -0.065 0.000 0.792 294 G HN 0.544 nan 8.290 nan 0.000 0.539 295 N N -0.187 118.397 118.700 -0.194 0.000 2.780 295 N HA -0.131 4.609 4.740 -0.000 0.000 0.247 295 N C 0.298 175.710 175.510 -0.164 0.000 1.076 295 N CA 0.497 53.454 53.050 -0.156 0.000 0.688 295 N CB -0.595 37.908 38.487 0.026 0.000 0.957 295 N HN 0.282 nan 8.380 nan 0.000 0.551 296 E N -0.155 119.845 120.200 -0.334 0.000 2.311 296 E HA 0.041 4.391 4.350 -0.000 0.000 0.198 296 E C 0.604 177.083 176.600 -0.200 0.000 1.115 296 E CA -0.077 56.208 56.400 -0.190 0.000 1.140 296 E CB -0.169 29.456 29.700 -0.125 0.000 1.204 296 E HN 0.535 nan 8.360 nan 0.000 0.446 297 F N 1.388 121.341 119.950 0.005 0.000 2.146 297 F HA 0.013 4.540 4.527 -0.000 0.000 0.298 297 F C 1.816 177.620 175.800 0.006 0.000 1.096 297 F CA 1.206 59.206 58.000 0.000 0.000 1.275 297 F CB -0.318 38.680 39.000 -0.003 0.000 1.008 297 F HN 0.229 nan 8.300 nan 0.000 0.480 298 G N -0.826 108.091 108.800 0.195 0.000 2.549 298 G HA2 0.117 4.076 3.960 -0.000 0.000 0.404 298 G HA3 0.117 4.076 3.960 -0.000 0.000 0.404 298 G C 0.543 175.506 174.900 0.105 0.000 1.292 298 G CA -0.263 44.908 45.100 0.119 0.000 0.935 298 G HN 0.482 nan 8.290 nan 0.000 0.512 299 A N -1.293 121.572 122.820 0.076 0.000 1.861 299 A HA 0.607 4.927 4.320 -0.000 0.000 0.212 299 A C 1.691 179.300 177.584 0.043 0.000 1.199 299 A CA 3.145 55.220 52.037 0.063 0.000 0.613 299 A CB -0.451 18.585 19.000 0.059 0.000 0.846 299 A HN 2.583 nan 8.150 nan 0.000 0.446 300 T N -5.023 109.551 114.554 0.034 0.000 2.612 300 T HA 0.408 4.758 4.350 -0.000 0.000 0.296 300 T C -0.364 174.350 174.700 0.023 0.000 1.148 300 T CA -0.037 62.076 62.100 0.021 0.000 1.077 300 T CB 0.118 68.990 68.868 0.007 0.000 1.591 300 T HN 0.075 nan 8.240 nan 0.000 0.479 301 T N 1.272 115.834 114.554 0.013 0.000 2.905 301 T HA 0.405 4.754 4.350 -0.000 0.000 0.299 301 T C 1.662 176.368 174.700 0.011 0.000 1.024 301 T CA 1.017 63.124 62.100 0.012 0.000 1.151 301 T CB -0.246 68.624 68.868 0.005 0.000 0.987 301 T HN 1.817 nan 8.240 nan 0.000 0.535 302 G N 2.978 111.786 108.800 0.014 0.000 2.245 302 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 302 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 302 G C 0.930 175.836 174.900 0.010 0.000 0.985 302 G CA -0.195 44.910 45.100 0.008 0.000 0.625 302 G HN 0.591 nan 8.290 nan 0.000 0.536 303 R N 0.346 120.858 120.500 0.020 0.000 2.480 303 R HA 0.255 4.595 4.340 -0.000 0.000 0.277 303 R C 1.019 177.344 176.300 0.041 0.000 1.008 303 R CA -0.351 55.764 56.100 0.025 0.000 1.090 303 R CB -0.192 30.125 30.300 0.028 0.000 1.234 303 R HN 0.563 nan 8.270 nan 0.000 0.549 304 R N 1.213 121.740 120.500 0.044 0.000 2.308 304 R HA 0.252 4.591 4.340 -0.000 0.000 0.305 304 R C -0.670 175.639 176.300 0.014 0.000 1.053 304 R CA -0.519 55.614 56.100 0.056 0.000 0.957 304 R CB 0.698 31.047 30.300 0.082 0.000 1.022 304 R HN -0.090 nan 8.270 nan 0.000 0.461 305 R N 2.841 123.338 120.500 -0.005 0.000 2.390 305 R HA 0.186 4.526 4.340 -0.000 0.000 0.291 305 R C 0.061 176.346 176.300 -0.025 0.000 1.070 305 R CA -0.119 55.971 56.100 -0.018 0.000 1.014 305 R CB 0.804 31.099 30.300 -0.009 0.000 1.007 305 R HN 0.518 nan 8.270 nan 0.000 0.466 306 R N 1.072 121.564 120.500 -0.013 0.000 2.539 306 R HA 0.197 4.537 4.340 -0.000 0.000 0.275 306 R C 0.040 176.400 176.300 0.100 0.000 1.077 306 R CA -0.073 56.033 56.100 0.011 0.000 1.097 306 R CB 0.930 31.266 30.300 0.059 0.000 1.018 306 R HN 0.690 nan 8.270 nan 0.000 0.483 307 T N -1.686 112.881 114.554 0.023 0.000 2.916 307 T HA 0.832 5.182 4.350 -0.000 0.000 0.292 307 T C 0.072 174.725 174.700 -0.077 0.000 1.064 307 T CA -0.697 61.448 62.100 0.075 0.000 1.011 307 T CB 2.473 71.300 68.868 -0.069 0.000 1.152 307 T HN 0.730 nan 8.240 nan 0.000 0.510 308 G N -0.852 107.977 108.800 0.048 0.000 2.488 308 G HA2 0.483 4.443 3.960 -0.000 0.000 0.301 308 G HA3 0.483 4.443 3.960 -0.000 0.000 0.301 308 G C -1.953 173.012 174.900 0.110 0.000 1.339 308 G CA -1.247 43.766 45.100 -0.144 0.000 0.803 308 G HN 0.775 nan 8.290 nan 0.000 0.482 309 W N -0.616 120.804 121.300 0.200 0.000 2.161 309 W HA 0.540 5.200 4.660 -0.000 0.000 0.344 309 W C 0.667 177.418 176.519 0.387 0.000 1.262 309 W CA -0.670 56.844 57.345 0.282 0.000 1.270 309 W CB 0.939 30.558 29.460 0.264 0.000 1.126 309 W HN 0.428 nan 8.180 nan 0.000 0.598 310 L N 3.022 124.641 121.223 0.661 0.000 2.499 310 L HA 0.019 4.359 4.340 -0.000 0.000 0.273 310 L C -0.122 176.994 176.870 0.410 0.000 1.195 310 L CA 0.673 55.787 54.840 0.457 0.000 0.882 310 L CB -0.021 42.255 42.059 0.362 0.000 1.133 310 L HN 0.250 nan 8.230 nan 0.000 0.483 311 D N 3.121 123.738 120.400 0.361 0.000 2.473 311 D HA 0.147 4.786 4.640 -0.000 0.000 0.226 311 D C 0.684 177.078 176.300 0.157 0.000 1.089 311 D CA -0.106 54.088 54.000 0.323 0.000 0.883 311 D CB 1.285 42.381 40.800 0.493 0.000 1.029 311 D HN 0.715 nan 8.370 nan 0.000 0.517 312 T N 2.033 116.636 114.554 0.081 0.000 3.007 312 T HA -0.040 4.310 4.350 -0.000 0.000 0.270 312 T C 1.830 176.501 174.700 -0.047 0.000 1.107 312 T CA 0.604 62.704 62.100 0.000 0.000 1.118 312 T CB 0.358 69.217 68.868 -0.015 0.000 0.889 312 T HN 0.260 nan 8.240 nan 0.000 0.506 313 V N 0.935 120.786 119.914 -0.106 0.000 2.535 313 V HA 0.037 4.157 4.120 -0.000 0.000 0.246 313 V C 2.697 178.720 176.094 -0.119 0.000 1.045 313 V CA 1.425 63.579 62.300 -0.242 0.000 1.058 313 V CB -0.725 30.682 31.823 -0.693 0.000 0.689 313 V HN 0.468 nan 8.190 nan 0.000 0.461 314 A N -0.298 122.533 122.820 0.019 0.000 1.930 314 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 314 A C 2.331 179.912 177.584 -0.005 0.000 1.176 314 A CA 1.467 53.555 52.037 0.084 0.000 0.632 314 A CB -0.469 18.637 19.000 0.178 0.000 0.819 314 A HN 0.292 nan 8.150 nan 0.000 0.445 315 V N 0.116 120.029 119.914 -0.001 0.000 2.407 315 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 315 V C 2.589 178.714 176.094 0.052 0.000 1.055 315 V CA 2.128 64.436 62.300 0.013 0.000 1.049 315 V CB -0.779 31.036 31.823 -0.013 0.000 0.662 315 V HN 0.511 nan 8.190 nan 0.000 0.455 316 R N -0.377 120.134 120.500 0.019 0.000 2.127 316 R HA -0.204 4.135 4.340 -0.000 0.000 0.238 316 R C 2.478 178.766 176.300 -0.019 0.000 1.134 316 R CA 1.585 57.688 56.100 0.005 0.000 0.975 316 R CB -0.278 30.003 30.300 -0.032 0.000 0.865 316 R HN 0.337 nan 8.270 nan 0.000 0.447 317 R N 0.833 121.319 120.500 -0.024 0.000 2.075 317 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 317 R C 1.931 178.205 176.300 -0.043 0.000 1.126 317 R CA 1.770 57.851 56.100 -0.031 0.000 0.963 317 R CB -0.608 29.693 30.300 0.002 0.000 0.858 317 R HN 0.181 nan 8.270 nan 0.000 0.435 318 A N 0.026 122.828 122.820 -0.031 0.000 1.940 318 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 318 A C 2.310 179.866 177.584 -0.047 0.000 1.176 318 A CA 1.820 53.836 52.037 -0.035 0.000 0.631 318 A CB -0.783 18.214 19.000 -0.006 0.000 0.814 318 A HN 0.195 nan 8.150 nan 0.000 0.446 319 V N 1.181 121.076 119.914 -0.032 0.000 2.287 319 V HA -0.380 3.739 4.120 -0.000 0.000 0.248 319 V C 2.862 178.884 176.094 -0.120 0.000 1.053 319 V CA 2.461 64.703 62.300 -0.095 0.000 1.027 319 V CB -1.108 30.670 31.823 -0.076 0.000 0.646 319 V HN 0.928 nan 8.190 nan 0.000 0.447 320 Q N -0.058 119.681 119.800 -0.101 0.000 2.083 320 Q HA -0.121 4.218 4.340 -0.000 0.000 0.198 320 Q C 2.221 178.139 176.000 -0.137 0.000 0.969 320 Q CA 1.656 57.390 55.803 -0.114 0.000 0.838 320 Q CB -0.514 28.165 28.738 -0.099 0.000 0.900 320 Q HN 0.536 nan 8.270 nan 0.000 0.436 321 L N 1.018 122.150 121.223 -0.152 0.000 2.079 321 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 321 L C 1.585 178.360 176.870 -0.157 0.000 1.081 321 L CA 1.114 55.833 54.840 -0.202 0.000 0.752 321 L CB -0.438 41.490 42.059 -0.220 0.000 0.896 321 L HN 0.398 nan 8.230 nan 0.000 0.433 322 N N -0.762 117.859 118.700 -0.131 0.000 2.236 322 N HA -0.008 4.732 4.740 -0.000 0.000 0.196 322 N C 0.541 175.961 175.510 -0.150 0.000 1.114 322 N CA 0.889 53.864 53.050 -0.124 0.000 0.859 322 N CB 0.523 38.949 38.487 -0.102 0.000 0.982 322 N HN 0.271 nan 8.380 nan 0.000 0.493 323 S N 0.247 115.851 115.700 -0.159 0.000 3.550 323 S HA -0.206 4.264 4.470 -0.000 0.000 0.372 323 S C 0.302 174.764 174.600 -0.229 0.000 0.966 323 S CA 0.160 58.254 58.200 -0.176 0.000 1.229 323 S CB -2.612 60.496 63.200 -0.154 0.000 0.917 323 S HN 0.327 nan 8.310 nan 0.000 0.496 324 L N 0.657 121.721 121.223 -0.265 0.000 2.516 324 L HA 0.083 4.422 4.340 -0.000 0.000 0.288 324 L C 1.618 178.219 176.870 -0.450 0.000 1.246 324 L CA 0.562 55.181 54.840 -0.368 0.000 0.844 324 L CB 0.256 42.034 42.059 -0.469 0.000 1.106 324 L HN 0.583 nan 8.230 nan 0.000 0.509 325 S N 0.033 115.364 115.700 -0.614 0.000 2.527 325 S HA 0.280 4.750 4.470 -0.000 0.000 0.227 325 S C 0.429 174.636 174.600 -0.656 0.000 1.059 325 S CA 0.301 58.056 58.200 -0.743 0.000 0.919 325 S CB 1.098 63.483 63.200 -1.359 0.000 0.805 325 S HN 0.862 nan 8.310 nan 0.000 0.500 326 G N 0.300 108.727 108.800 -0.621 0.000 2.646 326 G HA2 0.614 4.574 3.960 -0.000 0.000 0.291 326 G HA3 0.614 4.574 3.960 -0.000 0.000 0.291 326 G C -1.756 172.997 174.900 -0.246 0.000 1.445 326 G CA -0.635 44.285 45.100 -0.300 0.000 0.814 326 G HN 0.063 nan 8.290 nan 0.000 0.495 327 F N -0.685 119.258 119.950 -0.012 0.000 2.557 327 F HA 0.727 5.254 4.527 -0.000 0.000 0.336 327 F C 0.387 176.194 175.800 0.013 0.000 1.058 327 F CA -1.177 56.818 58.000 -0.009 0.000 0.988 327 F CB 2.329 41.314 39.000 -0.025 0.000 1.275 327 F HN 0.551 nan 8.300 nan 0.000 0.488 328 C N 3.884 123.330 119.300 0.243 0.000 2.478 328 C HA 0.658 5.118 4.460 -0.000 0.000 0.334 328 C C -1.077 173.956 174.990 0.073 0.000 1.106 328 C CA -0.851 58.237 59.018 0.118 0.000 1.363 328 C CB -0.710 27.077 27.740 0.077 0.000 1.941 328 C HN 0.700 nan 8.230 nan 0.000 0.436 329 L N 6.835 128.086 121.223 0.047 0.000 2.360 329 L HA 0.594 4.934 4.340 -0.000 0.000 0.276 329 L C 0.767 177.657 176.870 0.032 0.000 1.121 329 L CA 1.226 56.077 54.840 0.019 0.000 0.845 329 L CB 1.253 43.326 42.059 0.023 0.000 1.143 329 L HN 0.891 nan 8.230 nan 0.000 0.452 330 T N 0.920 115.490 114.554 0.026 0.000 2.912 330 T HA 0.489 4.838 4.350 -0.000 0.000 0.288 330 T C 0.031 174.773 174.700 0.071 0.000 1.030 330 T CA -0.872 61.247 62.100 0.032 0.000 1.020 330 T CB 1.323 70.192 68.868 0.003 0.000 1.056 330 T HN 0.579 nan 8.240 nan 0.000 0.480 331 K N 0.217 120.680 120.400 0.104 0.000 3.096 331 K HA -0.161 4.159 4.320 -0.000 0.000 0.266 331 K C 0.624 177.385 176.600 0.268 0.000 1.043 331 K CA 0.362 56.759 56.287 0.184 0.000 0.758 331 K CB -1.443 31.172 32.500 0.191 0.000 1.260 331 K HN 0.543 nan 8.250 nan 0.000 0.481 332 L N 1.652 123.024 121.223 0.249 0.000 2.093 332 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 332 L C 2.258 179.355 176.870 0.378 0.000 1.085 332 L CA 2.369 57.412 54.840 0.338 0.000 0.755 332 L CB -0.275 41.942 42.059 0.262 0.000 0.904 332 L HN 0.438 nan 8.230 nan 0.000 0.435 333 D N -1.078 119.510 120.400 0.313 0.000 2.239 333 D HA -0.219 4.421 4.640 -0.000 0.000 0.202 333 D C 1.791 178.241 176.300 0.250 0.000 0.993 333 D CA 1.690 55.886 54.000 0.327 0.000 0.874 333 D CB -0.576 40.449 40.800 0.374 0.000 0.922 333 D HN 0.355 nan 8.370 nan 0.000 0.464 334 V N 1.125 121.163 119.914 0.207 0.000 2.720 334 V HA -0.181 3.939 4.120 -0.000 0.000 0.256 334 V C 2.571 178.680 176.094 0.025 0.000 1.082 334 V CA 0.946 63.272 62.300 0.044 0.000 1.101 334 V CB -0.491 31.348 31.823 0.026 0.000 0.693 334 V HN 0.268 nan 8.190 nan 0.000 0.479 335 L N -0.839 120.459 121.223 0.126 0.000 2.492 335 L HA 0.082 4.421 4.340 -0.000 0.000 0.223 335 L C 0.444 177.221 176.870 -0.155 0.000 1.132 335 L CA -0.034 54.808 54.840 0.004 0.000 0.850 335 L CB -0.500 41.534 42.059 -0.041 0.000 0.966 335 L HN 0.283 nan 8.230 nan 0.000 0.454 336 D N 1.148 121.565 120.400 0.029 0.000 2.571 336 D HA 0.138 4.778 4.640 -0.000 0.000 0.231 336 D C 1.330 177.578 176.300 -0.086 0.000 1.133 336 D CA 1.513 55.496 54.000 -0.028 0.000 0.862 336 D CB 0.775 41.688 40.800 0.188 0.000 1.179 336 D HN 0.301 nan 8.370 nan 0.000 0.474 337 G N 1.482 110.154 108.800 -0.213 0.000 2.253 337 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.251 337 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.251 337 G C 0.512 175.254 174.900 -0.263 0.000 0.998 337 G CA 0.061 45.062 45.100 -0.166 0.000 0.621 337 G HN 0.493 nan 8.290 nan 0.000 0.524 338 L N 0.788 121.810 121.223 -0.335 0.000 2.483 338 L HA 0.195 4.535 4.340 -0.000 0.000 0.276 338 L C 1.983 178.688 176.870 -0.275 0.000 1.213 338 L CA 0.615 55.261 54.840 -0.323 0.000 0.843 338 L CB 0.665 42.573 42.059 -0.252 0.000 1.107 338 L HN 0.313 nan 8.230 nan 0.000 0.487 339 K N 2.134 122.412 120.400 -0.204 0.000 2.002 339 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 339 K C 0.117 176.629 176.600 -0.146 0.000 1.048 339 K CA 1.359 57.556 56.287 -0.150 0.000 0.930 339 K CB 0.269 32.700 32.500 -0.115 0.000 0.714 339 K HN 0.766 nan 8.250 nan 0.000 0.438 340 E N 0.271 120.384 120.200 -0.144 0.000 2.331 340 E HA 0.328 4.678 4.350 -0.000 0.000 0.275 340 E C -0.982 175.488 176.600 -0.216 0.000 0.895 340 E CA -1.135 55.168 56.400 -0.161 0.000 0.753 340 E CB 2.041 31.663 29.700 -0.131 0.000 1.216 340 E HN 0.031 nan 8.360 nan 0.000 0.434 341 V N -0.433 119.298 119.914 -0.304 0.000 2.630 341 V HA 0.668 4.788 4.120 -0.000 0.000 0.305 341 V C -0.520 175.176 176.094 -0.663 0.000 1.046 341 V CA -0.772 61.241 62.300 -0.479 0.000 0.934 341 V CB 1.327 32.915 31.823 -0.392 0.000 1.003 341 V HN 0.717 nan 8.190 nan 0.000 0.451 342 K N 3.191 122.808 120.400 -1.304 0.000 2.352 342 K HA 0.917 5.237 4.320 -0.000 0.000 0.240 342 K C -1.636 174.740 176.600 -0.374 0.000 1.017 342 K CA -0.890 54.823 56.287 -0.957 0.000 0.851 342 K CB 2.157 33.687 32.500 -1.616 0.000 1.261 342 K HN 0.806 nan 8.250 nan 0.000 0.451 343 L N -1.875 119.357 121.223 0.014 0.000 2.614 343 L HA 0.376 4.716 4.340 -0.000 0.000 0.264 343 L C -0.695 176.331 176.870 0.261 0.000 0.940 343 L CA -0.897 54.086 54.840 0.239 0.000 0.903 343 L CB 0.575 42.749 42.059 0.192 0.000 1.306 343 L HN 0.696 nan 8.230 nan 0.000 0.410 344 C N 3.198 122.647 119.300 0.247 0.000 2.633 344 C HA 0.482 4.942 4.460 -0.000 0.000 0.415 344 C C 1.823 176.804 174.990 -0.016 0.000 1.393 344 C CA 0.631 59.638 59.018 -0.019 0.000 1.700 344 C CB -0.373 27.372 27.740 0.010 0.000 2.541 344 C HN 0.917 nan 8.230 nan 0.000 0.603 345 V N 3.373 123.254 119.914 -0.056 0.000 3.556 345 V HA 0.645 4.765 4.120 -0.000 0.000 0.287 345 V C 0.566 176.593 176.094 -0.111 0.000 1.422 345 V CA 0.726 62.987 62.300 -0.064 0.000 1.038 345 V CB -1.041 30.765 31.823 -0.029 0.000 0.850 345 V HN 1.282 nan 8.190 nan 0.000 0.437 346 A N -0.848 121.894 122.820 -0.130 0.000 2.566 346 A HA 0.804 5.124 4.320 -0.000 0.000 0.290 346 A C -2.165 175.398 177.584 -0.035 0.000 1.071 346 A CA -0.481 51.472 52.037 -0.141 0.000 0.658 346 A CB 1.094 20.055 19.000 -0.065 0.000 1.285 346 A HN 0.152 nan 8.150 nan 0.000 0.427 347 Y N 0.199 120.468 120.300 -0.051 0.000 2.393 347 Y HA 0.669 5.218 4.550 -0.000 0.000 0.341 347 Y C 0.516 176.394 175.900 -0.037 0.000 0.988 347 Y CA -1.008 57.063 58.100 -0.047 0.000 1.078 347 Y CB 1.806 40.233 38.460 -0.055 0.000 1.203 347 Y HN 0.754 nan 8.280 nan 0.000 0.453 348 R N 4.135 124.713 120.500 0.130 0.000 2.207 348 R HA 0.412 4.752 4.340 -0.000 0.000 0.334 348 R C -0.493 175.832 176.300 0.040 0.000 1.013 348 R CA -0.567 55.572 56.100 0.064 0.000 0.858 348 R CB 0.470 30.797 30.300 0.044 0.000 1.094 348 R HN 0.596 nan 8.270 nan 0.000 0.457 349 M N 5.431 125.051 119.600 0.034 0.000 2.226 349 M HA 0.171 4.651 4.480 -0.000 0.000 0.324 349 M C -1.507 174.802 176.300 0.014 0.000 1.112 349 M CA -2.243 53.067 55.300 0.016 0.000 1.176 349 M CB 0.509 33.118 32.600 0.015 0.000 1.430 349 M HN 0.420 nan 8.290 nan 0.000 0.462 350 P HA -0.178 nan 4.420 nan 0.000 0.216 350 P C 0.110 177.419 177.300 0.014 0.000 1.150 350 P CA 1.446 64.555 63.100 0.014 0.000 0.843 350 P CB -0.059 31.651 31.700 0.016 0.000 0.787 351 D N -2.792 117.616 120.400 0.013 0.000 2.325 351 D HA 0.215 4.855 4.640 -0.000 0.000 0.234 351 D C 1.296 177.603 176.300 0.013 0.000 1.122 351 D CA 0.354 54.362 54.000 0.012 0.000 0.850 351 D CB -0.805 40.002 40.800 0.011 0.000 0.921 351 D HN 0.189 nan 8.370 nan 0.000 0.513 352 G N 0.217 109.026 108.800 0.015 0.000 2.199 352 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.254 352 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.254 352 G C 0.385 175.294 174.900 0.016 0.000 0.982 352 G CA -0.250 44.859 45.100 0.015 0.000 0.632 352 G HN 0.421 nan 8.290 nan 0.000 0.529 353 R N 1.109 121.617 120.500 0.015 0.000 2.537 353 R HA 0.382 4.722 4.340 -0.000 0.000 0.280 353 R C -0.086 176.226 176.300 0.020 0.000 1.058 353 R CA 0.236 56.344 56.100 0.013 0.000 1.057 353 R CB 0.430 30.736 30.300 0.010 0.000 0.973 353 R HN 0.419 nan 8.270 nan 0.000 0.438 354 E N 2.659 122.868 120.200 0.015 0.000 2.113 354 E HA 0.219 4.569 4.350 -0.000 0.000 0.273 354 E C -0.597 176.007 176.600 0.006 0.000 0.924 354 E CA -0.577 55.834 56.400 0.018 0.000 0.764 354 E CB 1.559 31.266 29.700 0.011 0.000 1.104 354 E HN 0.314 nan 8.360 nan 0.000 0.406 355 V N 0.075 119.997 119.914 0.013 0.000 2.960 355 V HA 0.529 4.649 4.120 -0.000 0.000 0.315 355 V C 0.535 176.583 176.094 -0.076 0.000 1.087 355 V CA -0.766 61.523 62.300 -0.019 0.000 0.982 355 V CB 1.721 33.541 31.823 -0.006 0.000 1.039 355 V HN 0.692 nan 8.190 nan 0.000 0.437 356 T N -1.424 113.068 114.554 -0.104 0.000 3.129 356 T HA 0.282 4.632 4.350 -0.000 0.000 0.267 356 T C 0.490 175.079 174.700 -0.185 0.000 1.018 356 T CA 0.468 62.472 62.100 -0.161 0.000 0.903 356 T CB -0.610 68.192 68.868 -0.109 0.000 1.067 356 T HN 1.118 nan 8.240 nan 0.000 0.549 357 T N 0.563 115.023 114.554 -0.156 0.000 2.841 357 T HA 0.583 4.933 4.350 -0.000 0.000 0.283 357 T C 0.101 174.720 174.700 -0.134 0.000 1.000 357 T CA -0.769 61.251 62.100 -0.133 0.000 0.977 357 T CB 1.588 70.407 68.868 -0.082 0.000 0.979 357 T HN 0.241 nan 8.240 nan 0.000 0.446 358 T N 1.554 116.025 114.554 -0.139 0.000 2.900 358 T HA 0.457 4.807 4.350 -0.000 0.000 0.307 358 T C -2.457 172.063 174.700 -0.299 0.000 1.065 358 T CA -1.088 60.897 62.100 -0.192 0.000 1.105 358 T CB -0.261 68.542 68.868 -0.109 0.000 0.979 358 T HN 0.428 nan 8.240 nan 0.000 0.544 359 P HA 0.348 nan 4.420 nan 0.000 0.276 359 P C 0.623 177.781 177.300 -0.237 0.000 1.261 359 P CA -0.732 62.071 63.100 -0.495 0.000 0.800 359 P CB 0.665 31.900 31.700 -0.775 0.000 1.066 360 L N -0.051 121.197 121.223 0.041 0.000 2.194 360 L HA 0.209 4.549 4.340 -0.000 0.000 0.197 360 L C 1.146 178.292 176.870 0.461 0.000 1.106 360 L CA 0.521 55.512 54.840 0.250 0.000 0.785 360 L CB -0.834 41.317 42.059 0.152 0.000 0.960 360 L HN 0.328 nan 8.230 nan 0.000 0.465 361 A N -0.329 122.706 122.820 0.358 0.000 2.331 361 A HA 0.501 4.820 4.320 -0.000 0.000 0.283 361 A C 1.203 179.113 177.584 0.543 0.000 1.142 361 A CA 0.302 52.576 52.037 0.394 0.000 0.812 361 A CB 0.959 20.118 19.000 0.264 0.000 1.074 361 A HN 0.380 nan 8.150 nan 0.000 0.497 362 A N 2.002 125.082 122.820 0.435 0.000 1.985 362 A HA -0.272 4.048 4.320 -0.000 0.000 0.223 362 A C 1.466 179.276 177.584 0.378 0.000 1.189 362 A CA 2.669 54.919 52.037 0.354 0.000 0.658 362 A CB -0.803 18.377 19.000 0.300 0.000 0.820 362 A HN 0.831 nan 8.150 nan 0.000 0.464 363 D N -0.837 119.742 120.400 0.298 0.000 2.218 363 D HA -0.081 4.559 4.640 -0.000 0.000 0.204 363 D C 1.448 177.876 176.300 0.213 0.000 0.976 363 D CA 1.354 55.486 54.000 0.221 0.000 0.853 363 D CB -0.192 40.708 40.800 0.167 0.000 0.939 363 D HN 0.463 nan 8.370 nan 0.000 0.481 364 D N -1.601 118.949 120.400 0.251 0.000 2.348 364 D HA -0.038 4.602 4.640 -0.000 0.000 0.211 364 D C 1.103 177.487 176.300 0.138 0.000 0.998 364 D CA 0.286 54.375 54.000 0.149 0.000 0.873 364 D CB 0.006 40.856 40.800 0.082 0.000 0.925 364 D HN 0.260 nan 8.370 nan 0.000 0.524 365 W N 1.381 122.722 121.300 0.068 0.000 2.770 365 W HA 0.160 4.820 4.660 -0.000 0.000 0.256 365 W C 2.260 178.782 176.519 0.005 0.000 1.291 365 W CA -0.043 57.322 57.345 0.034 0.000 1.396 365 W CB -0.091 29.419 29.460 0.085 0.000 1.114 365 W HN -0.109 nan 8.180 nan 0.000 0.637 366 K N 0.300 120.848 120.400 0.246 0.000 2.044 366 K HA -0.234 4.086 4.320 -0.000 0.000 0.224 366 K C 1.519 178.174 176.600 0.091 0.000 1.056 366 K CA 2.122 58.495 56.287 0.143 0.000 0.962 366 K CB -0.952 31.616 32.500 0.113 0.000 0.730 366 K HN 0.233 nan 8.250 nan 0.000 0.453 367 G N 1.268 110.105 108.800 0.062 0.000 4.098 367 G HA2 0.280 4.239 3.960 -0.000 0.000 0.300 367 G HA3 0.280 4.239 3.960 -0.000 0.000 0.300 367 G C -0.308 174.595 174.900 0.004 0.000 1.187 367 G CA -0.017 45.103 45.100 0.033 0.000 0.964 367 G HN 0.274 nan 8.290 nan 0.000 0.559 368 V N -2.134 117.764 119.914 -0.025 0.000 2.607 368 V HA 0.656 4.776 4.120 -0.000 0.000 0.289 368 V C -0.630 175.415 176.094 -0.082 0.000 1.053 368 V CA -0.964 61.269 62.300 -0.111 0.000 0.996 368 V CB 1.642 33.264 31.823 -0.336 0.000 0.995 368 V HN 0.236 nan 8.190 nan 0.000 0.476 369 E N 5.977 126.148 120.200 -0.048 0.000 2.187 369 E HA 0.490 4.840 4.350 -0.000 0.000 0.268 369 E C -2.720 173.885 176.600 0.009 0.000 0.896 369 E CA -2.190 54.211 56.400 0.002 0.000 0.766 369 E CB 2.443 32.162 29.700 0.033 0.000 1.142 369 E HN 0.695 nan 8.360 nan 0.000 0.408 370 P HA 0.181 nan 4.420 nan 0.000 0.275 370 P C -0.521 176.639 177.300 -0.233 0.000 1.228 370 P CA -0.017 63.016 63.100 -0.111 0.000 0.786 370 P CB 1.059 32.546 31.700 -0.355 0.000 0.927 371 I N 2.971 123.415 120.570 -0.209 0.000 2.382 371 I HA 0.254 4.424 4.170 -0.000 0.000 0.285 371 I C -0.038 175.972 176.117 -0.178 0.000 1.007 371 I CA -0.825 60.404 61.300 -0.120 0.000 1.142 371 I CB 0.652 38.639 38.000 -0.022 0.000 1.289 371 I HN 0.268 nan 8.210 nan 0.000 0.453 372 Y N 4.257 124.581 120.300 0.041 0.000 2.374 372 Y HA 0.418 4.968 4.550 -0.000 0.000 0.322 372 Y C 0.445 176.327 175.900 -0.030 0.000 1.275 372 Y CA -0.550 57.545 58.100 -0.008 0.000 1.307 372 Y CB 0.870 39.291 38.460 -0.064 0.000 1.282 372 Y HN 0.417 nan 8.280 nan 0.000 0.509 373 E N 0.525 120.815 120.200 0.150 0.000 2.191 373 E HA 0.343 4.693 4.350 -0.000 0.000 0.263 373 E C -1.287 175.314 176.600 0.002 0.000 0.881 373 E CA -0.573 55.863 56.400 0.060 0.000 0.757 373 E CB 1.563 31.292 29.700 0.047 0.000 1.147 373 E HN 0.593 nan 8.360 nan 0.000 0.414 374 T N 4.074 118.609 114.554 -0.031 0.000 2.902 374 T HA 0.634 4.984 4.350 -0.000 0.000 0.283 374 T C 0.048 174.717 174.700 -0.052 0.000 1.009 374 T CA -0.585 61.454 62.100 -0.102 0.000 1.051 374 T CB 0.732 69.532 68.868 -0.112 0.000 0.999 374 T HN 0.453 nan 8.240 nan 0.000 0.474 375 M N 1.011 120.572 119.600 -0.064 0.000 2.578 375 M HA 0.587 5.067 4.480 -0.000 0.000 0.276 375 M C -3.128 173.162 176.300 -0.016 0.000 1.245 375 M CA -2.511 52.789 55.300 0.001 0.000 0.871 375 M CB 2.211 34.857 32.600 0.077 0.000 1.722 375 M HN 0.182 nan 8.290 nan 0.000 0.473 376 P HA 0.163 nan 4.420 nan 0.000 0.268 376 P C -0.203 177.123 177.300 0.043 0.000 1.205 376 P CA 0.311 63.421 63.100 0.017 0.000 0.771 376 P CB 0.792 32.522 31.700 0.050 0.000 0.858 377 G N 1.933 110.685 108.800 -0.080 0.000 2.494 377 G HA2 0.516 4.476 3.960 -0.000 0.000 0.270 377 G HA3 0.516 4.476 3.960 -0.000 0.000 0.270 377 G C -1.289 173.620 174.900 0.016 0.000 1.423 377 G CA -0.788 44.139 45.100 -0.288 0.000 1.055 377 G HN 0.693 nan 8.290 nan 0.000 0.536 378 W N -2.291 118.998 121.300 -0.018 0.000 3.138 378 W HA 0.571 5.231 4.660 -0.000 0.000 0.331 378 W C 0.560 177.083 176.519 0.008 0.000 1.166 378 W CA -0.333 57.012 57.345 -0.000 0.000 1.212 378 W CB 1.051 30.516 29.460 0.010 0.000 1.399 378 W HN 0.524 nan 8.180 nan 0.000 0.514 379 S N -0.464 115.342 115.700 0.176 0.000 2.458 379 S HA -0.046 4.424 4.470 -0.000 0.000 0.223 379 S C 0.498 175.186 174.600 0.148 0.000 1.019 379 S CA 0.337 58.594 58.200 0.095 0.000 0.937 379 S CB -0.503 62.730 63.200 0.056 0.000 0.788 379 S HN 0.614 nan 8.310 nan 0.000 0.511 380 E N 2.150 122.477 120.200 0.211 0.000 2.374 380 E HA 0.319 4.669 4.350 -0.000 0.000 0.260 380 E C -0.477 176.267 176.600 0.240 0.000 1.101 380 E CA -0.380 56.129 56.400 0.182 0.000 0.907 380 E CB 0.531 30.311 29.700 0.134 0.000 1.014 380 E HN 0.068 nan 8.360 nan 0.000 0.427 381 S N -0.128 115.679 115.700 0.179 0.000 2.548 381 S HA 0.132 4.602 4.470 -0.000 0.000 0.277 381 S C 0.703 175.422 174.600 0.200 0.000 1.315 381 S CA 0.112 58.432 58.200 0.200 0.000 1.050 381 S CB 0.198 63.496 63.200 0.162 0.000 0.918 381 S HN 0.594 nan 8.310 nan 0.000 0.497 382 T N 2.356 117.055 114.554 0.241 0.000 3.040 382 T HA 0.252 4.602 4.350 -0.000 0.000 0.266 382 T C 0.247 175.059 174.700 0.186 0.000 1.005 382 T CA -0.368 61.833 62.100 0.168 0.000 0.906 382 T CB -0.341 68.612 68.868 0.142 0.000 1.082 382 T HN 0.480 nan 8.240 nan 0.000 0.531 383 F N 3.111 123.113 119.950 0.087 0.000 2.578 383 F HA 0.443 4.970 4.527 -0.000 0.000 0.376 383 F C 1.551 177.381 175.800 0.050 0.000 1.085 383 F CA 1.103 59.144 58.000 0.068 0.000 1.260 383 F CB 0.111 39.150 39.000 0.065 0.000 1.095 383 F HN 0.382 nan 8.300 nan 0.000 0.573 384 G N 3.520 111.999 108.800 -0.535 0.000 2.189 384 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.267 384 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.267 384 G C 0.084 174.912 174.900 -0.121 0.000 0.975 384 G CA 0.164 45.058 45.100 -0.345 0.000 0.644 384 G HN 0.778 nan 8.290 nan 0.000 0.537 385 V N 0.898 120.777 119.914 -0.059 0.000 2.509 385 V HA 0.103 4.223 4.120 -0.000 0.000 0.297 385 V C 1.564 177.632 176.094 -0.043 0.000 1.014 385 V CA 1.561 63.846 62.300 -0.025 0.000 1.127 385 V CB 1.195 33.013 31.823 -0.008 0.000 0.925 385 V HN 0.437 nan 8.190 nan 0.000 0.480 386 K N 2.098 122.480 120.400 -0.031 0.000 2.354 386 K HA 0.150 4.469 4.320 -0.000 0.000 0.194 386 K C 0.052 176.640 176.600 -0.021 0.000 1.038 386 K CA 0.047 56.316 56.287 -0.030 0.000 1.052 386 K CB 0.425 32.910 32.500 -0.025 0.000 0.861 386 K HN 0.747 nan 8.250 nan 0.000 0.535 387 D N -0.142 120.248 120.400 -0.017 0.000 2.619 387 D HA 0.152 4.792 4.640 -0.000 0.000 0.241 387 D C 0.543 176.832 176.300 -0.018 0.000 1.087 387 D CA -0.542 53.450 54.000 -0.014 0.000 0.851 387 D CB 1.619 42.414 40.800 -0.009 0.000 1.474 387 D HN -0.227 nan 8.370 nan 0.000 0.478 388 R N 1.366 121.855 120.500 -0.018 0.000 2.091 388 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 388 R C 1.805 178.089 176.300 -0.027 0.000 1.136 388 R CA 2.173 58.258 56.100 -0.025 0.000 0.959 388 R CB -0.192 30.096 30.300 -0.020 0.000 0.856 388 R HN 0.579 nan 8.270 nan 0.000 0.437 389 S N -0.777 114.912 115.700 -0.018 0.000 2.407 389 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 389 S C 1.939 176.529 174.600 -0.017 0.000 1.036 389 S CA 1.251 59.442 58.200 -0.015 0.000 1.013 389 S CB -0.761 62.434 63.200 -0.008 0.000 0.820 389 S HN 0.533 nan 8.310 nan 0.000 0.476 390 G N 0.822 109.612 108.800 -0.016 0.000 2.848 390 G HA2 0.306 4.266 3.960 -0.000 0.000 0.208 390 G HA3 0.306 4.266 3.960 -0.000 0.000 0.208 390 G C 0.277 175.160 174.900 -0.027 0.000 1.152 390 G CA -0.236 44.857 45.100 -0.012 0.000 0.789 390 G HN 0.492 nan 8.290 nan 0.000 0.531 391 L N 2.018 123.210 121.223 -0.053 0.000 2.289 391 L HA 0.318 4.658 4.340 -0.000 0.000 0.285 391 L C -1.819 174.982 176.870 -0.115 0.000 1.049 391 L CA -2.078 52.699 54.840 -0.104 0.000 0.804 391 L CB 1.644 43.624 42.059 -0.132 0.000 1.195 391 L HN -0.050 nan 8.230 nan 0.000 0.428 392 P HA -0.046 nan 4.420 nan 0.000 0.268 392 P C -0.018 177.208 177.300 -0.123 0.000 1.205 392 P CA -0.210 62.830 63.100 -0.100 0.000 0.771 392 P CB 1.027 32.691 31.700 -0.060 0.000 0.858 393 Q N 3.531 123.303 119.800 -0.046 0.000 2.152 393 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 393 Q C 2.053 178.038 176.000 -0.025 0.000 0.985 393 Q CA 2.647 58.432 55.803 -0.030 0.000 0.863 393 Q CB -1.168 27.573 28.738 0.005 0.000 0.904 393 Q HN 0.582 nan 8.270 nan 0.000 0.422 394 A N -0.192 122.640 122.820 0.019 0.000 1.969 394 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 394 A C 2.236 179.797 177.584 -0.038 0.000 1.169 394 A CA 1.664 53.771 52.037 0.117 0.000 0.635 394 A CB -0.962 18.229 19.000 0.318 0.000 0.810 394 A HN 0.514 nan 8.150 nan 0.000 0.445 395 A N -0.240 122.261 122.820 -0.532 0.000 1.897 395 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 395 A C 2.118 179.470 177.584 -0.385 0.000 1.181 395 A CA 1.269 52.632 52.037 -1.122 0.000 0.620 395 A CB -0.530 17.592 19.000 -1.464 0.000 0.821 395 A HN 0.451 nan 8.150 nan 0.000 0.443 396 L N -0.143 120.943 121.223 -0.228 0.000 2.083 396 L HA -0.195 4.144 4.340 -0.000 0.000 0.209 396 L C 2.099 178.952 176.870 -0.028 0.000 1.083 396 L CA 1.143 55.923 54.840 -0.101 0.000 0.752 396 L CB -0.617 41.397 42.059 -0.075 0.000 0.899 396 L HN 0.358 nan 8.230 nan 0.000 0.433 397 N N -0.775 117.930 118.700 0.007 0.000 2.244 397 N HA -0.212 4.528 4.740 -0.000 0.000 0.183 397 N C 1.672 177.256 175.510 0.123 0.000 1.016 397 N CA 0.968 54.054 53.050 0.059 0.000 0.866 397 N CB -0.324 38.211 38.487 0.079 0.000 0.980 397 N HN 0.328 nan 8.380 nan 0.000 0.430 398 Y N 1.643 121.951 120.300 0.013 0.000 2.163 398 Y HA -0.024 4.526 4.550 -0.000 0.000 0.288 398 Y C 2.099 178.016 175.900 0.028 0.000 1.136 398 Y CA 1.189 59.331 58.100 0.072 0.000 1.147 398 Y CB -0.408 38.158 38.460 0.177 0.000 0.987 398 Y HN -0.051 nan 8.280 nan 0.000 0.509 399 I N 0.200 120.778 120.570 0.013 0.000 2.127 399 I HA -0.335 3.835 4.170 -0.000 0.000 0.241 399 I C 2.415 178.488 176.117 -0.073 0.000 1.075 399 I CA 1.902 63.156 61.300 -0.076 0.000 1.334 399 I CB -0.499 37.485 38.000 -0.025 0.000 1.040 399 I HN 0.120 nan 8.210 nan 0.000 0.405 400 K N 1.372 121.754 120.400 -0.030 0.000 2.113 400 K HA -0.247 4.072 4.320 -0.000 0.000 0.208 400 K C 2.112 178.694 176.600 -0.030 0.000 1.047 400 K CA 1.622 57.898 56.287 -0.019 0.000 0.928 400 K CB -0.272 32.226 32.500 -0.003 0.000 0.716 400 K HN -0.026 nan 8.250 nan 0.000 0.446 401 R N 0.341 120.815 120.500 -0.043 0.000 2.115 401 R HA 0.148 4.488 4.340 -0.000 0.000 0.226 401 R C 2.020 178.267 176.300 -0.087 0.000 1.100 401 R CA 1.297 57.368 56.100 -0.048 0.000 0.980 401 R CB -0.370 29.916 30.300 -0.022 0.000 0.875 401 R HN 0.356 nan 8.270 nan 0.000 0.445 402 I N 0.235 120.708 120.570 -0.161 0.000 2.252 402 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 402 I C 1.850 177.935 176.117 -0.054 0.000 1.102 402 I CA 1.474 62.671 61.300 -0.172 0.000 1.385 402 I CB -0.323 37.497 38.000 -0.300 0.000 1.064 402 I HN 0.258 nan 8.210 nan 0.000 0.414 403 E N 0.828 121.015 120.200 -0.021 0.000 2.085 403 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 403 E C 2.068 178.681 176.600 0.021 0.000 0.994 403 E CA 1.287 57.709 56.400 0.037 0.000 0.801 403 E CB -0.098 29.619 29.700 0.027 0.000 0.743 403 E HN 0.546 nan 8.360 nan 0.000 0.453 404 E N 0.649 120.848 120.200 -0.003 0.000 2.047 404 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 404 E C 2.248 178.845 176.600 -0.006 0.000 0.987 404 E CA 0.745 57.142 56.400 -0.005 0.000 0.799 404 E CB -0.062 29.633 29.700 -0.009 0.000 0.752 404 E HN 0.229 nan 8.360 nan 0.000 0.449 405 L N 0.724 121.940 121.223 -0.011 0.000 2.093 405 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 405 L C 2.787 179.657 176.870 -0.000 0.000 1.085 405 L CA 1.564 56.395 54.840 -0.014 0.000 0.755 405 L CB -0.483 41.560 42.059 -0.026 0.000 0.904 405 L HN 0.308 nan 8.230 nan 0.000 0.435 406 T N -4.710 109.864 114.554 0.034 0.000 3.044 406 T HA 0.202 4.552 4.350 -0.000 0.000 0.255 406 T C 1.557 176.282 174.700 0.041 0.000 1.073 406 T CA 0.589 62.736 62.100 0.077 0.000 1.125 406 T CB 0.600 69.610 68.868 0.237 0.000 0.908 406 T HN 0.416 nan 8.240 nan 0.000 0.480 407 G N 0.652 109.468 108.800 0.027 0.000 2.176 407 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.253 407 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.253 407 G C 0.022 174.899 174.900 -0.037 0.000 0.979 407 G CA 0.048 45.140 45.100 -0.013 0.000 0.641 407 G HN 0.788 nan 8.290 nan 0.000 0.530 408 V N 2.482 122.387 119.914 -0.015 0.000 2.581 408 V HA 0.665 4.785 4.120 -0.000 0.000 0.303 408 V C -1.661 174.438 176.094 0.008 0.000 1.041 408 V CA -1.602 60.628 62.300 -0.117 0.000 0.907 408 V CB 2.123 33.680 31.823 -0.443 0.000 0.994 408 V HN 0.193 nan 8.190 nan 0.000 0.442 409 P HA 0.401 nan 4.420 nan 0.000 0.281 409 P C -0.770 176.598 177.300 0.112 0.000 1.249 409 P CA -0.362 62.763 63.100 0.043 0.000 0.810 409 P CB 1.401 33.105 31.700 0.008 0.000 1.008 410 I N 2.874 123.523 120.570 0.133 0.000 2.281 410 I HA 0.075 4.245 4.170 -0.000 0.000 0.293 410 I C 0.903 177.076 176.117 0.094 0.000 1.085 410 I CA -0.017 61.376 61.300 0.155 0.000 1.257 410 I CB 0.524 38.585 38.000 0.103 0.000 1.430 410 I HN 0.196 nan 8.210 nan 0.000 0.489 411 D N 6.345 126.807 120.400 0.103 0.000 2.305 411 D HA 0.239 4.879 4.640 -0.000 0.000 0.206 411 D C 0.420 176.747 176.300 0.046 0.000 0.974 411 D CA 1.140 55.184 54.000 0.075 0.000 0.871 411 D CB 0.755 41.621 40.800 0.110 0.000 0.947 411 D HN 0.349 nan 8.370 nan 0.000 0.516 412 I N 0.464 121.065 120.570 0.052 0.000 2.827 412 I HA 0.334 4.504 4.170 -0.000 0.000 0.298 412 I C -0.974 175.161 176.117 0.030 0.000 1.235 412 I CA -0.748 60.568 61.300 0.027 0.000 1.021 412 I CB 3.020 41.029 38.000 0.015 0.000 1.259 412 I HN -0.367 nan 8.210 nan 0.000 0.427 413 I N 3.154 123.732 120.570 0.013 0.000 2.447 413 I HA 0.260 4.430 4.170 -0.000 0.000 0.287 413 I C -0.238 175.878 176.117 -0.002 0.000 1.023 413 I CA -0.419 60.888 61.300 0.012 0.000 1.083 413 I CB 2.095 40.097 38.000 0.005 0.000 1.245 413 I HN 0.440 nan 8.210 nan 0.000 0.434 414 S N 2.942 118.644 115.700 0.002 0.000 2.438 414 S HA 0.322 4.792 4.470 -0.000 0.000 0.293 414 S C 0.831 175.417 174.600 -0.024 0.000 1.141 414 S CA -0.384 57.805 58.200 -0.018 0.000 1.080 414 S CB 0.560 63.754 63.200 -0.011 0.000 0.978 414 S HN 0.782 nan 8.310 nan 0.000 0.479 415 T N 1.269 115.775 114.554 -0.079 0.000 3.044 415 T HA 0.528 4.878 4.350 -0.000 0.000 0.260 415 T C 0.600 175.104 174.700 -0.327 0.000 1.019 415 T CA 0.110 62.139 62.100 -0.118 0.000 0.921 415 T CB 0.208 69.007 68.868 -0.114 0.000 1.053 415 T HN 0.762 nan 8.240 nan 0.000 0.533 416 G N 1.591 110.205 108.800 -0.310 0.000 2.601 416 G HA2 0.533 4.493 3.960 -0.000 0.000 0.291 416 G HA3 0.533 4.493 3.960 -0.000 0.000 0.291 416 G C -2.714 172.090 174.900 -0.161 0.000 1.456 416 G CA -1.084 43.725 45.100 -0.484 0.000 0.804 416 G HN -0.212 nan 8.290 nan 0.000 0.499 417 P HA 0.039 nan 4.420 nan 0.000 0.237 417 P C -0.105 177.195 177.300 0.000 0.000 1.178 417 P CA 0.649 63.762 63.100 0.022 0.000 0.766 417 P CB 0.541 32.297 31.700 0.094 0.000 0.876 418 D N 0.314 120.696 120.400 -0.029 0.000 2.210 418 D HA 0.059 4.699 4.640 -0.000 0.000 0.249 418 D C 1.231 177.512 176.300 -0.032 0.000 1.062 418 D CA -0.528 53.461 54.000 -0.018 0.000 0.891 418 D CB 1.499 42.292 40.800 -0.012 0.000 1.186 418 D HN -0.178 nan 8.370 nan 0.000 0.432 419 R N 1.584 122.074 120.500 -0.015 0.000 2.174 419 R HA -0.216 4.124 4.340 -0.000 0.000 0.253 419 R C 1.693 177.980 176.300 -0.021 0.000 1.165 419 R CA 2.442 58.534 56.100 -0.014 0.000 0.984 419 R CB -0.288 30.011 30.300 -0.003 0.000 0.873 419 R HN 0.573 nan 8.270 nan 0.000 0.456 420 T N -1.900 112.639 114.554 -0.024 0.000 2.904 420 T HA -0.052 4.298 4.350 -0.000 0.000 0.267 420 T C 0.499 175.171 174.700 -0.047 0.000 1.059 420 T CA 0.698 62.782 62.100 -0.027 0.000 1.137 420 T CB -0.081 68.775 68.868 -0.020 0.000 0.879 420 T HN 0.375 nan 8.240 nan 0.000 0.467 421 E N 2.105 122.259 120.200 -0.076 0.000 1.802 421 E HA 0.386 4.736 4.350 -0.000 0.000 0.265 421 E C -0.843 175.698 176.600 -0.100 0.000 1.168 421 E CA -0.243 56.085 56.400 -0.121 0.000 1.033 421 E CB 0.052 29.617 29.700 -0.225 0.000 1.095 421 E HN 0.302 nan 8.360 nan 0.000 0.436 422 T N 1.687 116.202 114.554 -0.065 0.000 2.885 422 T HA 0.323 4.673 4.350 -0.000 0.000 0.322 422 T C -0.628 174.052 174.700 -0.032 0.000 1.387 422 T CA -0.761 61.311 62.100 -0.046 0.000 1.041 422 T CB 1.271 70.119 68.868 -0.033 0.000 1.287 422 T HN 0.222 nan 8.240 nan 0.000 0.491 423 M N 2.832 122.417 119.600 -0.024 0.000 2.043 423 M HA 0.495 4.975 4.480 -0.000 0.000 0.322 423 M C -0.935 175.359 176.300 -0.009 0.000 0.962 423 M CA -0.478 54.812 55.300 -0.016 0.000 0.927 423 M CB 1.024 33.614 32.600 -0.016 0.000 1.466 423 M HN 0.429 nan 8.290 nan 0.000 0.412 424 I N 4.772 125.336 120.570 -0.008 0.000 2.307 424 I HA 0.131 4.301 4.170 -0.000 0.000 0.287 424 I C 0.878 176.992 176.117 -0.005 0.000 1.054 424 I CA -0.182 61.113 61.300 -0.008 0.000 1.218 424 I CB 0.792 38.785 38.000 -0.011 0.000 1.398 424 I HN 0.784 nan 8.210 nan 0.000 0.475 425 L N 4.861 126.084 121.223 0.000 0.000 2.240 425 L HA 0.117 4.457 4.340 -0.000 0.000 0.211 425 L C 1.163 178.035 176.870 0.003 0.000 1.106 425 L CA 0.869 55.712 54.840 0.004 0.000 0.793 425 L CB -0.199 41.867 42.059 0.010 0.000 0.927 425 L HN 0.542 nan 8.230 nan 0.000 0.446 426 R N 0.112 120.610 120.500 -0.003 0.000 2.508 426 R HA 0.130 4.470 4.340 -0.000 0.000 0.283 426 R C -1.483 174.780 176.300 -0.063 0.000 1.120 426 R CA -0.555 55.537 56.100 -0.013 0.000 0.958 426 R CB 1.424 31.733 30.300 0.015 0.000 1.215 426 R HN -0.172 nan 8.270 nan 0.000 0.427 427 D N 5.246 125.600 120.400 -0.077 0.000 2.348 427 D HA 0.131 4.771 4.640 -0.000 0.000 0.253 427 D C -1.705 174.419 176.300 -0.293 0.000 1.161 427 D CA -1.986 51.934 54.000 -0.133 0.000 0.876 427 D CB 1.948 42.725 40.800 -0.037 0.000 1.160 427 D HN 0.304 nan 8.370 nan 0.000 0.459 428 P HA -0.078 nan 4.420 nan 0.000 0.218 428 P C 1.117 177.965 177.300 -0.754 0.000 1.149 428 P CA 0.737 63.176 63.100 -1.101 0.000 0.817 428 P CB 0.072 30.925 31.700 -1.412 0.000 0.785 429 F N -0.179 119.509 119.950 -0.436 0.000 2.365 429 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 429 F C 1.422 177.020 175.800 -0.336 0.000 1.090 429 F CA 1.122 58.819 58.000 -0.505 0.000 1.408 429 F CB -0.782 37.884 39.000 -0.557 0.000 1.060 429 F HN -0.050 nan 8.300 nan 0.000 0.534 430 D N -0.327 120.044 120.400 -0.047 0.000 2.388 430 D HA 0.307 4.947 4.640 -0.000 0.000 0.221 430 D C 0.732 177.022 176.300 -0.016 0.000 1.133 430 D CA 0.268 54.268 54.000 0.000 0.000 0.831 430 D CB 0.083 40.895 40.800 0.019 0.000 0.962 430 D HN 0.132 nan 8.370 nan 0.000 0.502 431 A N 0.000 122.787 122.820 -0.055 0.000 2.254 431 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 431 A CA 0.000 52.040 52.037 0.005 0.000 0.836 431 A CB 0.000 19.025 19.000 0.042 0.000 0.831 431 A HN 0.000 nan 8.150 nan 0.000 0.486