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 1ksz_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 3.959 3.960 -0.002 0.000 0.244 1 G C 0.000 174.864 174.900 -0.060 0.000 0.946 1 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 2 N N -2.543 116.169 118.700 0.021 0.000 2.251 2 N HA -0.080 nan 4.740 nan 0.000 0.181 2 N C -0.610 175.022 175.510 0.205 0.000 1.019 2 N CA 1.986 55.077 53.050 0.069 0.000 0.862 2 N CB 1.454 40.049 38.487 0.180 0.000 0.992 2 N HN 0.137 8.555 8.380 0.064 0.000 0.429 3 N N -0.321 118.494 118.700 0.193 0.000 2.500 3 N HA 0.256 nan 4.740 nan 0.000 0.236 3 N C -1.923 173.697 175.510 0.183 0.000 1.022 3 N CA -0.109 53.115 53.050 0.291 0.000 0.935 3 N CB 0.736 39.396 38.487 0.289 0.000 1.147 3 N HN -0.540 8.224 8.380 0.151 -0.294 0.512 4 V N 4.648 124.651 119.914 0.147 0.000 2.612 4 V HA 0.724 nan 4.120 nan 0.000 0.301 4 V C -1.228 174.978 176.094 0.186 0.000 1.046 4 V CA -0.922 61.375 62.300 -0.005 0.000 0.946 4 V CB 2.246 33.776 31.823 -0.489 0.000 1.003 4 V HN 0.069 8.411 8.190 0.252 0.000 0.459 5 V N 4.296 124.285 119.914 0.125 0.000 2.656 5 V HA 0.731 nan 4.120 nan 0.000 0.307 5 V C -1.503 174.667 176.094 0.127 0.000 1.051 5 V CA -1.306 61.086 62.300 0.153 0.000 0.893 5 V CB 2.631 34.443 31.823 -0.019 0.000 0.999 5 V HN 0.177 8.426 8.190 0.097 0.000 0.426 6 V N 5.822 125.842 119.914 0.178 0.000 2.540 6 V HA 0.939 nan 4.120 nan 0.000 0.302 6 V C -1.737 174.454 176.094 0.162 0.000 1.035 6 V CA -1.147 61.233 62.300 0.134 0.000 0.873 6 V CB 1.250 33.139 31.823 0.111 0.000 0.992 6 V HN 0.778 9.021 8.190 0.262 0.105 0.428 7 L N 0.970 122.260 121.223 0.112 0.000 2.622 7 L HA 0.918 nan 4.340 nan 0.000 0.258 7 L C -1.629 175.277 176.870 0.061 0.000 0.996 7 L CA -1.226 53.682 54.840 0.114 0.000 0.858 7 L CB 3.421 45.575 42.059 0.157 0.000 1.449 7 L HN 0.018 8.298 8.230 0.083 0.000 0.411 8 G N -1.586 107.238 108.800 0.041 0.000 2.380 8 G HA2 0.134 nan 3.960 nan 0.000 0.262 8 G HA3 0.134 nan 3.960 nan 0.000 0.262 8 G C -0.336 174.563 174.900 -0.001 0.000 1.243 8 G CA -0.205 44.901 45.100 0.011 0.000 0.865 8 G HN 0.153 8.475 8.290 0.053 0.000 0.513 9 T N -0.457 114.100 114.554 0.006 0.000 3.129 9 T HA 0.094 nan 4.350 nan 0.000 0.251 9 T C 0.227 174.861 174.700 -0.110 0.000 1.117 9 T CA 0.900 63.001 62.100 0.002 0.000 1.034 9 T CB -0.227 68.723 68.868 0.136 0.000 0.968 9 T HN 0.070 8.323 8.240 0.022 0.000 0.526 10 Q N -0.695 119.006 119.800 -0.166 0.000 3.074 10 Q HA 0.296 nan 4.340 nan 0.000 0.208 10 Q C -0.168 175.532 176.000 -0.499 0.000 1.167 10 Q CA 0.031 55.611 55.803 -0.371 0.000 0.323 10 Q CB 2.091 30.713 28.738 -0.193 0.000 5.787 10 Q HN -0.525 7.884 8.270 -0.101 -0.200 0.307 11 W N -1.433 119.807 121.300 -0.100 0.000 2.862 11 W HA 0.250 nan 4.660 nan 0.000 0.426 11 W C -0.256 176.214 176.519 -0.083 0.000 0.950 11 W CA -0.311 56.962 57.345 -0.120 0.000 2.150 11 W CB 0.529 29.855 29.460 -0.223 0.000 1.161 11 W HN 0.411 8.641 8.180 0.084 0.000 0.696 12 G N -0.445 108.397 108.800 0.070 0.000 2.710 12 G HA2 -0.373 nan 3.960 nan 0.000 0.668 12 G HA3 -0.373 nan 3.960 nan 0.000 0.668 12 G C -2.170 172.751 174.900 0.035 0.000 1.320 12 G CA -0.508 44.626 45.100 0.056 0.000 0.860 12 G HN -0.069 8.474 8.290 0.006 -0.249 0.538 13 D N -4.014 116.400 120.400 0.022 0.000 2.911 13 D HA -0.439 nan 4.640 nan 0.000 0.227 13 D C 0.272 176.549 176.300 -0.039 0.000 1.164 13 D CA 1.479 55.480 54.000 0.003 0.000 0.782 13 D CB -0.799 40.016 40.800 0.026 0.000 1.094 13 D HN 0.332 8.725 8.370 0.037 0.000 0.425 14 E N -1.729 118.442 120.200 -0.049 0.000 2.216 14 E HA -0.095 nan 4.350 nan 0.000 0.192 14 E C 0.947 177.511 176.600 -0.059 0.000 0.988 14 E CA 1.861 58.223 56.400 -0.064 0.000 0.834 14 E CB 0.068 29.742 29.700 -0.043 0.000 0.772 14 E HN 0.237 8.540 8.360 -0.040 0.033 0.479 15 G N -5.527 103.233 108.800 -0.066 0.000 2.321 15 G HA2 -0.281 nan 3.960 nan 0.000 0.174 15 G HA3 -0.281 nan 3.960 nan 0.000 0.174 15 G C 0.608 175.456 174.900 -0.088 0.000 1.008 15 G CA -0.412 44.652 45.100 -0.059 0.000 0.739 15 G HN -0.170 8.046 8.290 -0.085 0.023 0.502 16 K N 1.560 121.873 120.400 -0.145 0.000 2.071 16 K HA -0.469 nan 4.320 nan 0.000 0.217 16 K C 1.819 178.328 176.600 -0.152 0.000 1.054 16 K CA 3.831 60.020 56.287 -0.164 0.000 0.937 16 K CB -0.403 31.943 32.500 -0.258 0.000 0.719 16 K HN 0.235 8.398 8.250 -0.146 0.000 0.454 17 G N -1.917 106.726 108.800 -0.262 0.000 2.553 17 G HA2 -0.375 nan 3.960 nan 0.000 0.218 17 G HA3 -0.375 nan 3.960 nan 0.000 0.218 17 G C 0.825 175.728 174.900 0.004 0.000 1.195 17 G CA 1.768 46.834 45.100 -0.057 0.000 0.779 17 G HN 0.170 8.181 8.290 -0.465 0.000 0.577 18 K N 2.184 122.581 120.400 -0.005 0.000 1.990 18 K HA -0.395 nan 4.320 nan 0.000 0.225 18 K C 2.441 179.054 176.600 0.021 0.000 1.053 18 K CA 3.101 59.396 56.287 0.014 0.000 0.982 18 K CB -0.205 32.300 32.500 0.010 0.000 0.734 18 K HN -0.820 7.414 8.250 -0.026 0.000 0.448 19 I N -1.626 118.953 120.570 0.014 0.000 2.145 19 I HA -0.453 nan 4.170 nan 0.000 0.244 19 I C 2.302 178.445 176.117 0.043 0.000 1.075 19 I CA 2.327 63.642 61.300 0.025 0.000 1.332 19 I CB -1.339 36.673 38.000 0.020 0.000 1.033 19 I HN -0.702 7.508 8.210 0.001 0.000 0.410 20 V N -0.094 119.849 119.914 0.049 0.000 2.287 20 V HA -0.546 nan 4.120 nan 0.000 0.248 20 V C 2.064 178.207 176.094 0.082 0.000 1.053 20 V CA 4.680 67.027 62.300 0.078 0.000 1.027 20 V CB -1.117 30.761 31.823 0.091 0.000 0.646 20 V HN 0.159 8.368 8.190 0.031 0.000 0.447 21 D N -0.927 119.511 120.400 0.065 0.000 2.144 21 D HA -0.235 nan 4.640 nan 0.000 0.200 21 D C 1.959 178.293 176.300 0.056 0.000 0.978 21 D CA 3.125 57.160 54.000 0.058 0.000 0.833 21 D CB 0.314 41.141 40.800 0.045 0.000 0.961 21 D HN -0.313 8.018 8.370 0.056 0.072 0.470 22 L N -0.621 120.633 121.223 0.052 0.000 2.141 22 L HA -0.162 nan 4.340 nan 0.000 0.209 22 L C 1.911 178.825 176.870 0.074 0.000 1.094 22 L CA 3.036 57.906 54.840 0.050 0.000 0.763 22 L CB 0.031 42.112 42.059 0.037 0.000 0.908 22 L HN -0.495 7.764 8.230 0.047 0.000 0.437 23 L N -3.816 117.467 121.223 0.099 0.000 2.375 23 L HA -0.140 nan 4.340 nan 0.000 0.215 23 L C 1.499 178.511 176.870 0.238 0.000 1.108 23 L CA 1.997 56.938 54.840 0.169 0.000 0.830 23 L CB -0.179 41.965 42.059 0.142 0.000 0.959 23 L HN -0.016 8.252 8.230 0.087 0.014 0.457 24 T N -4.259 110.393 114.554 0.164 0.000 3.227 24 T HA -0.154 nan 4.350 nan 0.000 0.257 24 T C 1.757 176.497 174.700 0.067 0.000 1.162 24 T CA 1.715 63.895 62.100 0.134 0.000 1.051 24 T CB -1.275 67.652 68.868 0.097 0.000 0.953 24 T HN -0.309 8.007 8.240 0.127 0.000 0.535 25 E N 3.665 123.904 120.200 0.065 0.000 2.051 25 E HA -0.265 nan 4.350 nan 0.000 0.192 25 E C 1.313 177.904 176.600 -0.015 0.000 0.991 25 E CA 2.665 59.078 56.400 0.022 0.000 0.799 25 E CB -0.079 29.638 29.700 0.029 0.000 0.748 25 E HN -0.321 8.009 8.360 0.093 0.087 0.449 26 R N -2.317 118.178 120.500 -0.008 0.000 2.388 26 R HA 0.021 nan 4.340 nan 0.000 0.247 26 R C -1.256 174.929 176.300 -0.193 0.000 0.931 26 R CA -0.585 55.454 56.100 -0.101 0.000 1.082 26 R CB 0.619 30.895 30.300 -0.040 0.000 1.135 26 R HN -0.745 7.559 8.270 0.056 -0.000 0.525 27 A N -2.952 119.801 122.820 -0.112 0.000 2.337 27 A HA 0.313 nan 4.320 nan 0.000 0.331 27 A C -0.728 176.804 177.584 -0.087 0.000 1.137 27 A CA -1.164 50.834 52.037 -0.066 0.000 0.807 27 A CB 2.173 21.252 19.000 0.131 0.000 1.250 27 A HN -0.637 7.323 8.150 -0.038 0.167 0.468 28 K N -0.738 119.598 120.400 -0.107 0.000 2.168 28 K HA 0.121 nan 4.320 nan 0.000 0.201 28 K C -0.208 176.174 176.600 -0.364 0.000 1.049 28 K CA 1.819 57.923 56.287 -0.305 0.000 0.974 28 K CB 1.645 33.873 32.500 -0.453 0.000 0.792 28 K HN 0.356 8.493 8.250 0.001 0.113 0.463 29 Y N -3.860 116.442 120.300 0.003 0.000 2.524 29 Y HA 0.512 nan 4.550 nan 0.000 0.344 29 Y C -1.590 174.286 175.900 -0.040 0.000 1.012 29 Y CA -0.790 57.294 58.100 -0.027 0.000 1.068 29 Y CB 3.446 41.874 38.460 -0.053 0.000 1.249 29 Y HN -0.378 7.992 8.280 0.150 0.000 0.468 30 V N 1.396 121.380 119.914 0.117 0.000 2.525 30 V HA 0.623 nan 4.120 nan 0.000 0.299 30 V C -1.837 174.245 176.094 -0.019 0.000 1.034 30 V CA -0.590 61.733 62.300 0.037 0.000 0.863 30 V CB 2.131 33.996 31.823 0.071 0.000 0.999 30 V HN 0.501 8.779 8.190 0.147 0.000 0.423 31 V N 7.875 127.712 119.914 -0.128 0.000 2.448 31 V HA 0.649 nan 4.120 nan 0.000 0.295 31 V C -1.272 174.902 176.094 0.133 0.000 1.025 31 V CA -1.903 60.357 62.300 -0.066 0.000 0.859 31 V CB 1.851 33.518 31.823 -0.260 0.000 0.988 31 V HN 1.290 9.237 8.190 -0.210 0.117 0.431 32 R N 6.074 126.646 120.500 0.120 0.000 2.254 32 R HA 0.462 nan 4.340 nan 0.000 0.318 32 R C -0.070 176.320 176.300 0.152 0.000 1.031 32 R CA -0.713 55.438 56.100 0.085 0.000 0.905 32 R CB 1.603 31.914 30.300 0.018 0.000 1.050 32 R HN 0.015 8.333 8.270 0.079 0.000 0.456 33 Y N 0.449 120.849 120.300 0.165 0.000 2.500 33 Y HA 0.133 nan 4.550 nan 0.000 0.246 33 Y C -1.929 174.061 175.900 0.151 0.000 1.146 33 Y CA -2.265 55.937 58.100 0.170 0.000 1.230 33 Y CB 1.085 39.676 38.460 0.219 0.000 1.214 33 Y HN 0.035 8.032 8.280 -0.472 0.000 0.526 34 Q N -4.599 115.129 119.800 -0.120 0.000 2.756 34 Q HA 0.121 nan 4.340 nan 0.000 0.295 34 Q C -0.908 175.097 176.000 0.010 0.000 0.903 34 Q CA -0.390 55.438 55.803 0.041 0.000 0.768 34 Q CB 2.611 31.403 28.738 0.090 0.000 1.472 34 Q HN -0.774 7.325 8.270 -0.285 0.000 0.416 35 G N -0.389 108.504 108.800 0.155 0.000 2.627 35 G HA2 -0.311 nan 3.960 nan 0.000 0.214 35 G HA3 -0.311 nan 3.960 nan 0.000 0.214 35 G C -2.252 172.676 174.900 0.046 0.000 1.331 35 G CA -0.303 44.861 45.100 0.106 0.000 0.891 35 G HN -0.174 8.322 8.290 0.343 0.000 0.539 36 G N -0.157 108.638 108.800 -0.008 0.000 3.265 36 G HA2 0.418 nan 3.960 nan 0.000 0.171 36 G HA3 0.418 nan 3.960 nan 0.000 0.171 36 G C -1.127 173.782 174.900 0.014 0.000 1.110 36 G CA 0.539 45.630 45.100 -0.015 0.000 0.855 36 G HN -0.400 8.122 8.290 -0.020 -0.243 0.658 37 H N -1.604 117.436 119.070 -0.051 0.000 2.524 37 H HA 0.303 nan 4.556 nan 0.000 0.297 37 H C -0.590 174.682 175.328 -0.094 0.000 1.115 37 H CA -1.249 54.773 56.048 -0.044 0.000 1.027 37 H CB -0.985 28.753 29.762 -0.040 0.000 1.591 37 H HN 0.352 8.442 8.280 -0.316 0.000 0.543 38 N N -0.604 117.962 118.700 -0.223 0.000 2.368 38 N HA -0.070 nan 4.740 nan 0.000 0.178 38 N C -0.146 175.325 175.510 -0.066 0.000 1.076 38 N CA 0.100 53.038 53.050 -0.188 0.000 0.889 38 N CB -0.694 37.696 38.487 -0.163 0.000 1.040 38 N HN -0.018 8.160 8.380 -0.161 0.106 0.463 39 A N 0.824 123.621 122.820 -0.038 0.000 2.445 39 A HA 0.048 nan 4.320 nan 0.000 0.242 39 A C -0.562 177.067 177.584 0.075 0.000 1.075 39 A CA 0.676 52.711 52.037 -0.003 0.000 0.777 39 A CB 0.341 19.252 19.000 -0.149 0.000 1.013 39 A HN -0.330 7.786 8.150 -0.057 0.000 0.493 40 G N 0.981 109.910 108.800 0.214 0.000 2.866 40 G HA2 0.200 nan 3.960 nan 0.000 0.291 40 G HA3 0.200 nan 3.960 nan 0.000 0.291 40 G C -1.540 173.598 174.900 0.397 0.000 1.476 40 G CA -0.460 44.858 45.100 0.362 0.000 1.048 40 G HN -0.161 8.293 8.290 0.274 0.000 0.542 41 H N 5.054 124.163 119.070 0.065 0.000 2.499 41 H HA 0.224 nan 4.556 nan 0.000 0.340 41 H C -1.043 174.278 175.328 -0.012 0.000 1.148 41 H CA -1.983 54.078 56.048 0.022 0.000 1.215 41 H CB 3.468 33.239 29.762 0.014 0.000 1.529 41 H HN 0.340 8.655 8.280 0.059 0.000 0.510 42 T N 3.729 118.359 114.554 0.126 0.000 2.864 42 T HA 0.263 nan 4.350 nan 0.000 0.299 42 T C -1.081 173.651 174.700 0.053 0.000 1.011 42 T CA -0.746 61.395 62.100 0.069 0.000 0.975 42 T CB 0.571 69.482 68.868 0.071 0.000 0.962 42 T HN 0.303 8.608 8.240 0.109 0.000 0.448 43 L N 8.371 129.618 121.223 0.041 0.000 2.282 43 L HA 0.492 nan 4.340 nan 0.000 0.288 43 L C -1.601 175.288 176.870 0.032 0.000 1.033 43 L CA -0.835 54.026 54.840 0.036 0.000 0.807 43 L CB 1.271 43.350 42.059 0.033 0.000 1.209 43 L HN 1.145 9.285 8.230 0.030 0.109 0.423 44 V N 4.430 124.365 119.914 0.034 0.000 2.487 44 V HA 0.649 nan 4.120 nan 0.000 0.298 44 V C -1.598 174.515 176.094 0.030 0.000 1.028 44 V CA -0.957 61.364 62.300 0.035 0.000 0.860 44 V CB 1.848 33.700 31.823 0.047 0.000 0.991 44 V HN 0.373 8.583 8.190 0.034 0.000 0.427 45 I N 5.538 126.124 120.570 0.027 0.000 2.476 45 I HA 0.274 nan 4.170 nan 0.000 0.281 45 I C -1.204 174.927 176.117 0.024 0.000 1.040 45 I CA -0.878 60.436 61.300 0.023 0.000 1.094 45 I CB 2.099 40.110 38.000 0.018 0.000 1.219 45 I HN 0.444 8.670 8.210 0.026 0.000 0.450 46 N N 6.457 125.173 118.700 0.027 0.000 2.727 46 N HA -0.436 nan 4.740 nan 0.000 0.251 46 N C 0.933 176.462 175.510 0.032 0.000 1.040 46 N CA 1.292 54.359 53.050 0.028 0.000 0.712 46 N CB -1.426 37.074 38.487 0.021 0.000 0.912 46 N HN 0.879 9.652 8.380 0.027 -0.377 0.545 47 G N -2.863 105.962 108.800 0.041 0.000 2.562 47 G HA2 -0.511 nan 3.960 nan 0.000 0.241 47 G HA3 -0.511 nan 3.960 nan 0.000 0.241 47 G C -0.870 174.049 174.900 0.033 0.000 1.120 47 G CA 0.364 45.489 45.100 0.042 0.000 0.673 47 G HN 0.221 8.837 8.290 0.046 -0.299 0.519 48 E N 2.247 122.462 120.200 0.025 0.000 2.558 48 E HA -0.219 nan 4.350 nan 0.000 0.255 48 E C -1.302 175.310 176.600 0.021 0.000 0.968 48 E CA 0.678 57.090 56.400 0.020 0.000 0.939 48 E CB 0.427 30.136 29.700 0.015 0.000 0.921 48 E HN -0.403 7.872 8.360 0.024 0.100 0.477 49 K N 5.312 125.724 120.400 0.019 0.000 2.164 49 K HA 0.498 nan 4.320 nan 0.000 0.258 49 K C -1.334 175.272 176.600 0.010 0.000 0.951 49 K CA -1.091 55.208 56.287 0.020 0.000 0.844 49 K CB 2.091 34.607 32.500 0.027 0.000 1.099 49 K HN 0.019 8.279 8.250 0.017 0.000 0.435 50 T N 5.761 120.319 114.554 0.006 0.000 2.921 50 T HA 0.356 nan 4.350 nan 0.000 0.297 50 T C -2.123 172.560 174.700 -0.029 0.000 1.013 50 T CA -0.346 61.747 62.100 -0.013 0.000 0.990 50 T CB 2.954 71.816 68.868 -0.011 0.000 1.023 50 T HN 0.483 8.731 8.240 0.014 0.000 0.447 51 V N 5.931 125.799 119.914 -0.077 0.000 2.325 51 V HA 0.572 nan 4.120 nan 0.000 0.280 51 V C -0.601 175.277 176.094 -0.361 0.000 1.016 51 V CA -1.429 60.776 62.300 -0.158 0.000 0.818 51 V CB 0.028 31.776 31.823 -0.124 0.000 1.019 51 V HN 0.332 8.475 8.190 -0.079 0.000 0.434 52 L N 5.864 126.919 121.223 -0.279 0.000 2.439 52 L HA 0.452 nan 4.340 nan 0.000 0.259 52 L C -0.461 176.136 176.870 -0.456 0.000 1.129 52 L CA -0.793 53.869 54.840 -0.297 0.000 0.803 52 L CB 1.474 43.462 42.059 -0.118 0.000 1.161 52 L HN -0.156 7.989 8.230 -0.141 0.000 0.462 53 H N -1.875 117.153 119.070 -0.070 0.000 2.602 53 H HA 0.177 nan 4.556 nan 0.000 0.222 53 H C 1.069 176.336 175.328 -0.101 0.000 0.886 53 H CA 1.687 57.679 56.048 -0.093 0.000 1.008 53 H CB 2.600 32.364 29.762 0.004 0.000 1.380 53 H HN -0.075 8.503 8.280 -0.096 -0.355 0.417 54 L N -0.535 120.728 121.223 0.068 0.000 2.653 54 L HA 0.165 nan 4.340 nan 0.000 0.230 54 L C -0.750 176.114 176.870 -0.010 0.000 1.055 54 L CA 0.392 55.250 54.840 0.031 0.000 0.880 54 L CB 2.401 44.494 42.059 0.056 0.000 1.195 54 L HN -0.783 7.855 8.230 0.075 -0.363 0.492 55 I N 0.567 121.128 120.570 -0.016 0.000 2.474 55 I HA -0.040 nan 4.170 nan 0.000 0.287 55 I C -2.109 173.999 176.117 -0.015 0.000 1.048 55 I CA -1.615 59.676 61.300 -0.014 0.000 1.383 55 I CB 0.225 38.215 38.000 -0.016 0.000 1.412 55 I HN -0.395 8.107 8.210 -0.015 -0.301 0.531 56 P HA -0.021 nan 4.420 nan 0.000 0.268 56 P C -0.454 176.875 177.300 0.049 0.000 1.208 56 P CA 0.050 63.172 63.100 0.036 0.000 0.777 56 P CB 0.683 32.410 31.700 0.046 0.000 0.875 57 S N 2.218 117.972 115.700 0.090 0.000 2.595 57 S HA -0.144 nan 4.470 nan 0.000 0.235 57 S C 1.109 175.747 174.600 0.063 0.000 0.974 57 S CA 2.739 60.991 58.200 0.086 0.000 0.942 57 S CB -0.126 63.145 63.200 0.118 0.000 0.766 57 S HN 0.233 9.082 8.310 0.122 -0.465 0.536 58 G N -0.119 108.716 108.800 0.058 0.000 3.042 58 G HA2 0.109 nan 3.960 nan 0.000 0.212 58 G HA3 0.109 nan 3.960 nan 0.000 0.212 58 G C 0.279 175.197 174.900 0.030 0.000 1.166 58 G CA -0.221 44.907 45.100 0.048 0.000 0.767 58 G HN -0.007 8.249 8.290 0.060 0.070 0.546 59 I N 2.266 122.851 120.570 0.024 0.000 2.502 59 I HA -0.363 nan 4.170 nan 0.000 0.258 59 I C -0.058 176.063 176.117 0.006 0.000 1.172 59 I CA 1.711 63.018 61.300 0.012 0.000 1.430 59 I CB 0.384 38.388 38.000 0.005 0.000 1.086 59 I HN -0.596 7.574 8.210 0.027 0.057 0.440 60 L N -4.617 116.611 121.223 0.009 0.000 2.529 60 L HA -0.016 nan 4.340 nan 0.000 0.223 60 L C 0.138 177.008 176.870 0.001 0.000 1.113 60 L CA -0.448 54.395 54.840 0.004 0.000 0.861 60 L CB -0.510 41.553 42.059 0.007 0.000 1.012 60 L HN -0.436 7.753 8.230 0.015 0.050 0.461 61 R N -0.298 120.203 120.500 0.001 0.000 2.404 61 R HA 0.095 nan 4.340 nan 0.000 0.291 61 R C -0.307 175.983 176.300 -0.017 0.000 1.025 61 R CA -0.292 55.804 56.100 -0.007 0.000 0.991 61 R CB 0.587 30.885 30.300 -0.004 0.000 1.053 61 R HN -0.922 7.352 8.270 0.006 0.000 0.479 62 E N 2.116 122.301 120.200 -0.025 0.000 2.444 62 E HA 0.005 nan 4.350 nan 0.000 0.191 62 E C -0.232 176.339 176.600 -0.048 0.000 1.041 62 E CA 1.263 57.644 56.400 -0.031 0.000 0.883 62 E CB -0.391 29.293 29.700 -0.026 0.000 1.024 62 E HN 0.588 8.934 8.360 -0.023 0.000 0.470 63 N N -3.181 115.483 118.700 -0.059 0.000 2.294 63 N HA -0.037 nan 4.740 nan 0.000 0.186 63 N C -0.650 174.790 175.510 -0.117 0.000 1.107 63 N CA -0.051 52.945 53.050 -0.090 0.000 0.884 63 N CB 0.601 39.032 38.487 -0.093 0.000 1.030 63 N HN -0.204 8.066 8.380 -0.048 0.081 0.482 64 V N -0.305 119.559 119.914 -0.083 0.000 2.617 64 V HA 0.152 nan 4.120 nan 0.000 0.298 64 V C -0.354 175.703 176.094 -0.062 0.000 1.048 64 V CA -0.681 61.570 62.300 -0.083 0.000 0.964 64 V CB 0.922 32.732 31.823 -0.021 0.000 1.004 64 V HN -0.766 7.391 8.190 -0.055 0.000 0.466 65 T N 8.560 123.081 114.554 -0.055 0.000 2.771 65 T HA 0.351 nan 4.350 nan 0.000 0.281 65 T C -1.230 173.536 174.700 0.110 0.000 0.982 65 T CA -0.935 61.191 62.100 0.043 0.000 0.978 65 T CB 1.698 70.641 68.868 0.124 0.000 0.930 65 T HN 1.142 9.184 8.240 -0.122 0.124 0.447 66 S N 7.629 123.373 115.700 0.074 0.000 2.438 66 S HA 0.723 nan 4.470 nan 0.000 0.293 66 S C -1.437 173.201 174.600 0.063 0.000 1.141 66 S CA -0.258 57.981 58.200 0.065 0.000 1.080 66 S CB 0.556 63.781 63.200 0.041 0.000 0.978 66 S HN 0.446 8.789 8.310 0.055 0.000 0.479 67 I N 5.199 125.802 120.570 0.054 0.000 2.441 67 I HA 0.539 nan 4.170 nan 0.000 0.295 67 I C -1.460 174.677 176.117 0.034 0.000 0.994 67 I CA -0.853 60.467 61.300 0.034 0.000 1.144 67 I CB 2.582 40.582 38.000 -0.000 0.000 1.314 67 I HN 0.673 8.913 8.210 0.050 0.000 0.445 68 I N 6.049 126.639 120.570 0.034 0.000 2.307 68 I HA 0.346 nan 4.170 nan 0.000 0.287 68 I C -0.140 176.010 176.117 0.054 0.000 1.054 68 I CA -1.310 60.014 61.300 0.039 0.000 1.218 68 I CB -0.694 37.320 38.000 0.024 0.000 1.398 68 I HN 0.713 8.824 8.210 0.029 0.116 0.475 69 G N 5.161 114.012 108.800 0.085 0.000 2.684 69 G HA2 -0.109 nan 3.960 nan 0.000 0.255 69 G HA3 -0.109 nan 3.960 nan 0.000 0.255 69 G C 0.755 175.718 174.900 0.105 0.000 1.219 69 G CA -0.991 44.175 45.100 0.110 0.000 0.901 69 G HN 0.450 8.801 8.290 0.101 0.000 0.548 70 N N -0.378 118.388 118.700 0.109 0.000 2.443 70 N HA -0.286 nan 4.740 nan 0.000 0.184 70 N C 1.507 177.093 175.510 0.127 0.000 1.037 70 N CA 2.234 55.345 53.050 0.102 0.000 0.896 70 N CB -0.503 38.043 38.487 0.097 0.000 0.959 70 N HN 0.015 8.463 8.380 0.113 0.000 0.442 71 G N 0.037 108.939 108.800 0.169 0.000 2.421 71 G HA2 -0.210 nan 3.960 nan 0.000 0.216 71 G HA3 -0.210 nan 3.960 nan 0.000 0.216 71 G C -0.060 174.956 174.900 0.194 0.000 1.171 71 G CA 1.161 46.392 45.100 0.217 0.000 0.775 71 G HN 0.110 8.395 8.290 0.184 0.115 0.543 72 V N 1.850 121.833 119.914 0.116 0.000 2.928 72 V HA -0.173 nan 4.120 nan 0.000 0.307 72 V C 0.703 176.763 176.094 -0.057 0.000 1.105 72 V CA 1.413 63.737 62.300 0.040 0.000 1.223 72 V CB -0.326 31.514 31.823 0.028 0.000 0.930 72 V HN -0.727 7.535 8.190 0.121 0.000 0.499 73 V N 2.591 122.409 119.914 -0.159 0.000 2.240 73 V HA 0.346 nan 4.120 nan 0.000 0.265 73 V C -0.832 175.199 176.094 -0.104 0.000 1.073 73 V CA -1.973 60.171 62.300 -0.259 0.000 0.857 73 V CB -0.963 30.516 31.823 -0.572 0.000 1.114 73 V HN 0.234 8.354 8.190 -0.117 0.000 0.469 74 L N 6.279 127.466 121.223 -0.059 0.000 2.418 74 L HA 0.226 nan 4.340 nan 0.000 0.274 74 L C -0.970 175.880 176.870 -0.034 0.000 1.135 74 L CA 0.205 55.028 54.840 -0.029 0.000 0.870 74 L CB 1.083 43.124 42.059 -0.031 0.000 1.154 74 L HN -0.291 7.900 8.230 -0.064 0.000 0.462 75 S N 7.438 123.108 115.700 -0.050 0.000 2.410 75 S HA 0.376 nan 4.470 nan 0.000 0.304 75 S C -0.903 173.615 174.600 -0.137 0.000 1.095 75 S CA -3.832 54.306 58.200 -0.103 0.000 1.089 75 S CB 0.633 63.690 63.200 -0.238 0.000 0.968 75 S HN 0.253 8.539 8.310 -0.040 0.000 0.480 76 P HA -0.267 nan 4.420 nan 0.000 0.216 76 P C 0.080 177.314 177.300 -0.110 0.000 1.150 76 P CA 2.492 65.534 63.100 -0.097 0.000 0.843 76 P CB -0.064 31.588 31.700 -0.080 0.000 0.787 77 A N -3.901 118.845 122.820 -0.123 0.000 1.877 77 A HA -0.267 nan 4.320 nan 0.000 0.216 77 A C 1.826 179.316 177.584 -0.156 0.000 1.186 77 A CA 2.760 54.724 52.037 -0.122 0.000 0.620 77 A CB -0.890 18.042 19.000 -0.113 0.000 0.822 77 A HN 0.042 8.107 8.150 -0.119 0.014 0.443 78 A N -0.830 121.831 122.820 -0.265 0.000 1.858 78 A HA -0.275 nan 4.320 nan 0.000 0.216 78 A C 1.759 179.246 177.584 -0.162 0.000 1.190 78 A CA 2.865 54.720 52.037 -0.303 0.000 0.617 78 A CB -0.726 17.877 19.000 -0.662 0.000 0.827 78 A HN -0.178 7.773 8.150 -0.331 0.000 0.443 79 L N -0.823 120.314 121.223 -0.143 0.000 1.971 79 L HA -0.401 nan 4.340 nan 0.000 0.215 79 L C 1.994 178.823 176.870 -0.068 0.000 1.072 79 L CA 3.291 58.080 54.840 -0.085 0.000 0.758 79 L CB -0.424 41.589 42.059 -0.076 0.000 0.889 79 L HN -0.184 7.943 8.230 -0.172 0.000 0.433 80 M N -2.596 116.960 119.600 -0.073 0.000 2.110 80 M HA -0.551 nan 4.480 nan 0.000 0.257 80 M C 2.307 178.579 176.300 -0.048 0.000 1.071 80 M CA 2.528 57.794 55.300 -0.058 0.000 1.096 80 M CB -1.667 30.897 32.600 -0.060 0.000 1.300 80 M HN -0.440 7.799 8.290 -0.086 0.000 0.411 81 K N -0.759 119.609 120.400 -0.053 0.000 2.034 81 K HA -0.459 nan 4.320 nan 0.000 0.214 81 K C 2.205 178.792 176.600 -0.021 0.000 1.051 81 K CA 3.568 59.833 56.287 -0.036 0.000 0.931 81 K CB -0.246 32.230 32.500 -0.040 0.000 0.715 81 K HN -0.174 8.034 8.250 -0.069 0.000 0.446 82 E N -1.205 118.982 120.200 -0.022 0.000 2.028 82 E HA -0.325 nan 4.350 nan 0.000 0.191 82 E C 2.312 178.901 176.600 -0.019 0.000 0.988 82 E CA 2.782 59.175 56.400 -0.012 0.000 0.799 82 E CB 0.084 29.779 29.700 -0.009 0.000 0.755 82 E HN -0.208 8.130 8.360 -0.036 0.000 0.447 83 M N 0.243 119.828 119.600 -0.025 0.000 2.073 83 M HA -0.466 nan 4.480 nan 0.000 0.258 83 M C 1.711 177.999 176.300 -0.020 0.000 1.070 83 M CA 3.896 59.182 55.300 -0.023 0.000 1.103 83 M CB 0.127 32.710 32.600 -0.029 0.000 1.321 83 M HN 0.361 8.522 8.290 -0.031 0.110 0.405 84 K N -1.427 118.960 120.400 -0.021 0.000 2.032 84 K HA -0.355 nan 4.320 nan 0.000 0.209 84 K C 2.268 178.859 176.600 -0.014 0.000 1.048 84 K CA 3.117 59.393 56.287 -0.018 0.000 0.927 84 K CB -0.242 32.247 32.500 -0.020 0.000 0.712 84 K HN -0.236 7.999 8.250 -0.025 0.000 0.441 85 E N -3.159 117.033 120.200 -0.012 0.000 2.409 85 E HA -0.190 nan 4.350 nan 0.000 0.198 85 E C 2.256 178.850 176.600 -0.010 0.000 1.024 85 E CA 2.198 58.592 56.400 -0.009 0.000 0.861 85 E CB -0.686 29.011 29.700 -0.005 0.000 0.788 85 E HN -0.514 7.838 8.360 -0.013 0.000 0.521 86 L N -0.769 120.447 121.223 -0.013 0.000 2.221 86 L HA -0.063 nan 4.340 nan 0.000 0.202 86 L C 2.473 179.337 176.870 -0.011 0.000 1.074 86 L CA 1.967 56.799 54.840 -0.012 0.000 0.795 86 L CB 0.275 42.325 42.059 -0.015 0.000 0.960 86 L HN -0.569 7.495 8.230 -0.014 0.157 0.458 87 E N 0.859 121.052 120.200 -0.011 0.000 2.209 87 E HA -0.364 nan 4.350 nan 0.000 0.196 87 E C 2.396 178.990 176.600 -0.009 0.000 0.993 87 E CA 3.253 59.647 56.400 -0.011 0.000 0.819 87 E CB -0.299 29.394 29.700 -0.012 0.000 0.745 87 E HN -0.161 8.191 8.360 -0.013 0.000 0.477 88 D N -1.680 118.714 120.400 -0.009 0.000 2.363 88 D HA -0.066 nan 4.640 nan 0.000 0.220 88 D C 0.520 176.816 176.300 -0.006 0.000 0.994 88 D CA 1.607 55.603 54.000 -0.007 0.000 0.890 88 D CB -0.153 40.642 40.800 -0.007 0.000 0.906 88 D HN -0.592 7.755 8.370 -0.010 0.017 0.530 89 R N -2.174 118.322 120.500 -0.006 0.000 2.609 89 R HA 0.216 nan 4.340 nan 0.000 0.326 89 R C 0.472 176.769 176.300 -0.005 0.000 1.090 89 R CA -0.960 55.137 56.100 -0.005 0.000 1.072 89 R CB -0.906 29.391 30.300 -0.005 0.000 1.330 89 R HN -0.131 7.929 8.270 -0.007 0.206 0.572 90 G N -0.258 108.538 108.800 -0.006 0.000 2.189 90 G HA2 -0.421 nan 3.960 nan 0.000 0.267 90 G HA3 -0.421 nan 3.960 nan 0.000 0.267 90 G C -0.370 174.526 174.900 -0.007 0.000 0.975 90 G CA 0.839 45.936 45.100 -0.006 0.000 0.644 90 G HN -0.304 7.907 8.290 -0.006 0.075 0.537 91 I N 2.281 122.847 120.570 -0.007 0.000 2.301 91 I HA 0.212 nan 4.170 nan 0.000 0.292 91 I C -1.310 174.801 176.117 -0.008 0.000 1.046 91 I CA -2.954 58.342 61.300 -0.007 0.000 1.282 91 I CB 1.080 39.076 38.000 -0.007 0.000 1.409 91 I HN -0.635 7.522 8.210 -0.007 0.049 0.484 92 P HA 0.138 nan 4.420 nan 0.000 0.230 92 P C 0.397 177.692 177.300 -0.008 0.000 1.791 92 P CA -0.595 62.500 63.100 -0.009 0.000 1.020 92 P CB -1.791 29.904 31.700 -0.009 0.000 1.977 93 V N 3.025 122.934 119.914 -0.009 0.000 2.277 93 V HA -0.563 nan 4.120 nan 0.000 0.255 93 V C 2.530 178.620 176.094 -0.007 0.000 1.074 93 V CA 4.142 66.437 62.300 -0.008 0.000 1.058 93 V CB -0.829 30.987 31.823 -0.012 0.000 0.656 93 V HN 0.621 8.734 8.190 -0.010 0.071 0.449 94 R N -1.709 118.785 120.500 -0.010 0.000 2.120 94 R HA -0.243 nan 4.340 nan 0.000 0.234 94 R C 2.311 178.609 176.300 -0.004 0.000 1.123 94 R CA 2.867 58.962 56.100 -0.009 0.000 0.975 94 R CB -0.304 29.989 30.300 -0.012 0.000 0.866 94 R HN -0.136 8.128 8.270 -0.011 0.000 0.446 95 E N -2.586 117.612 120.200 -0.004 0.000 2.409 95 E HA -0.167 nan 4.350 nan 0.000 0.198 95 E C 0.739 177.340 176.600 0.001 0.000 1.024 95 E CA 1.770 58.168 56.400 -0.003 0.000 0.861 95 E CB 0.338 30.034 29.700 -0.006 0.000 0.788 95 E HN -0.258 7.975 8.360 -0.006 0.123 0.521 96 R N -6.368 114.134 120.500 0.003 0.000 2.549 96 R HA 0.223 nan 4.340 nan 0.000 0.399 96 R C -1.586 174.725 176.300 0.020 0.000 0.964 96 R CA -0.639 55.467 56.100 0.010 0.000 1.173 96 R CB 1.593 31.894 30.300 0.002 0.000 1.535 96 R HN -0.289 7.808 8.270 0.001 0.174 0.551 97 L N 0.907 122.139 121.223 0.015 0.000 2.307 97 L HA 0.635 nan 4.340 nan 0.000 0.284 97 L C -2.012 174.870 176.870 0.021 0.000 1.023 97 L CA -0.645 54.205 54.840 0.017 0.000 0.810 97 L CB 2.553 44.615 42.059 0.005 0.000 1.231 97 L HN -0.611 7.625 8.230 0.009 0.000 0.423 98 L N 5.396 126.636 121.223 0.029 0.000 2.309 98 L HA 0.769 nan 4.340 nan 0.000 0.261 98 L C -1.917 174.968 176.870 0.025 0.000 1.021 98 L CA -1.435 53.424 54.840 0.031 0.000 0.823 98 L CB 3.633 45.718 42.059 0.044 0.000 1.366 98 L HN 0.695 8.946 8.230 0.035 0.000 0.423 99 L N -5.187 116.051 121.223 0.026 0.000 2.720 99 L HA 0.746 nan 4.340 nan 0.000 0.261 99 L C -2.187 174.706 176.870 0.039 0.000 1.046 99 L CA -1.214 53.641 54.840 0.027 0.000 0.886 99 L CB 2.419 44.485 42.059 0.013 0.000 1.493 99 L HN 0.014 8.261 8.230 0.030 0.000 0.407 100 S N -0.892 114.834 115.700 0.044 0.000 2.513 100 S HA 0.277 nan 4.470 nan 0.000 0.276 100 S C 1.549 176.189 174.600 0.066 0.000 1.254 100 S CA -1.431 56.804 58.200 0.058 0.000 1.053 100 S CB 0.628 63.865 63.200 0.063 0.000 0.958 100 S HN 0.109 8.444 8.310 0.041 0.000 0.491 101 E N 7.473 127.730 120.200 0.095 0.000 2.409 101 E HA -0.219 nan 4.350 nan 0.000 0.198 101 E C 0.982 177.645 176.600 0.105 0.000 1.024 101 E CA 2.140 58.619 56.400 0.131 0.000 0.861 101 E CB -0.646 29.181 29.700 0.211 0.000 0.788 101 E HN 0.708 9.124 8.360 0.094 0.000 0.521 102 A N -1.441 121.429 122.820 0.084 0.000 2.275 102 A HA 0.128 nan 4.320 nan 0.000 0.212 102 A C -0.460 177.164 177.584 0.067 0.000 1.201 102 A CA -0.523 51.560 52.037 0.078 0.000 0.843 102 A CB -0.027 19.018 19.000 0.075 0.000 0.873 102 A HN -0.321 7.820 8.150 0.078 0.056 0.492 103 C N 1.418 120.750 119.300 0.053 0.000 2.653 103 C HA 0.021 nan 4.460 nan 0.000 0.421 103 C C -2.005 172.997 174.990 0.019 0.000 1.334 103 C CA -0.971 58.065 59.018 0.029 0.000 1.885 103 C CB -1.531 26.217 27.740 0.013 0.000 2.645 103 C HN -0.481 7.626 8.230 0.054 0.155 0.601 104 P HA 0.462 nan 4.420 nan 0.000 0.279 104 P C -1.963 175.321 177.300 -0.026 0.000 1.252 104 P CA -0.519 62.575 63.100 -0.009 0.000 0.811 104 P CB 0.618 32.279 31.700 -0.065 0.000 1.035 105 L N -0.842 120.402 121.223 0.034 0.000 2.307 105 L HA 0.355 nan 4.340 nan 0.000 0.282 105 L C -0.223 176.687 176.870 0.066 0.000 1.051 105 L CA -1.223 53.644 54.840 0.044 0.000 0.804 105 L CB 1.184 43.303 42.059 0.101 0.000 1.197 105 L HN 0.576 8.761 8.230 0.088 0.098 0.431 106 I N 2.714 123.306 120.570 0.036 0.000 2.321 106 I HA 0.076 nan 4.170 nan 0.000 0.291 106 I C -1.381 174.770 176.117 0.057 0.000 0.998 106 I CA -0.540 60.848 61.300 0.147 0.000 1.227 106 I CB 0.468 38.516 38.000 0.080 0.000 1.368 106 I HN -0.105 7.997 8.210 0.004 0.111 0.466 107 L N 3.992 125.139 121.223 -0.127 0.000 2.333 107 L HA 0.309 nan 4.340 nan 0.000 0.263 107 L C 0.541 177.123 176.870 -0.481 0.000 1.014 107 L CA -1.596 53.021 54.840 -0.371 0.000 0.820 107 L CB 2.818 44.559 42.059 -0.531 0.000 1.352 107 L HN 0.151 8.392 8.230 0.019 0.000 0.421 108 D N 2.793 123.049 120.400 -0.240 0.000 2.248 108 D HA -0.486 nan 4.640 nan 0.000 0.191 108 D C 1.993 178.213 176.300 -0.133 0.000 1.013 108 D CA 4.778 58.701 54.000 -0.129 0.000 0.883 108 D CB -0.553 40.228 40.800 -0.032 0.000 0.915 108 D HN 0.665 8.942 8.370 -0.155 0.000 0.448 109 Y N -5.092 115.110 120.300 -0.163 0.000 2.207 109 Y HA -0.358 nan 4.550 nan 0.000 0.287 109 Y C 2.004 177.772 175.900 -0.219 0.000 1.156 109 Y CA 2.139 60.129 58.100 -0.183 0.000 1.182 109 Y CB -1.566 36.801 38.460 -0.155 0.000 0.979 109 Y HN -0.158 7.928 8.280 -0.289 0.020 0.521 110 H N 0.303 119.224 119.070 -0.249 0.000 2.321 110 H HA -0.383 nan 4.556 nan 0.000 0.300 110 H C 2.374 177.633 175.328 -0.116 0.000 1.087 110 H CA 4.129 60.065 56.048 -0.187 0.000 1.319 110 H CB -0.099 29.522 29.762 -0.235 0.000 1.379 110 H HN 0.107 7.694 8.280 -0.951 0.122 0.501 111 V N -1.022 118.895 119.914 0.004 0.000 2.287 111 V HA -0.525 nan 4.120 nan 0.000 0.248 111 V C 1.818 177.895 176.094 -0.027 0.000 1.053 111 V CA 4.041 66.336 62.300 -0.008 0.000 1.027 111 V CB -1.499 30.318 31.823 -0.011 0.000 0.646 111 V HN -0.641 7.521 8.190 -0.046 0.000 0.447 112 A N -0.584 122.219 122.820 -0.028 0.000 1.849 112 A HA -0.405 nan 4.320 nan 0.000 0.217 112 A C 1.771 179.299 177.584 -0.093 0.000 1.202 112 A CA 3.373 55.387 52.037 -0.038 0.000 0.629 112 A CB -0.836 18.165 19.000 0.001 0.000 0.834 112 A HN -0.079 8.056 8.150 -0.025 0.000 0.447 113 L N -1.791 119.377 121.223 -0.091 0.000 1.990 113 L HA -0.563 nan 4.340 nan 0.000 0.213 113 L C 1.996 178.774 176.870 -0.155 0.000 1.072 113 L CA 3.395 58.137 54.840 -0.163 0.000 0.755 113 L CB -0.783 41.232 42.059 -0.074 0.000 0.889 113 L HN 0.324 8.527 8.230 -0.044 0.000 0.432 114 D N -1.466 118.893 120.400 -0.069 0.000 2.127 114 D HA -0.436 nan 4.640 nan 0.000 0.190 114 D C 2.381 178.638 176.300 -0.071 0.000 1.000 114 D CA 3.501 57.471 54.000 -0.050 0.000 0.839 114 D CB -0.346 40.437 40.800 -0.028 0.000 0.955 114 D HN 0.332 8.571 8.370 -0.036 0.109 0.446 115 N N -0.805 117.851 118.700 -0.072 0.000 2.166 115 N HA -0.313 nan 4.740 nan 0.000 0.186 115 N C 2.299 177.751 175.510 -0.096 0.000 1.019 115 N CA 2.789 55.799 53.050 -0.067 0.000 0.856 115 N CB 0.423 38.882 38.487 -0.048 0.000 0.993 115 N HN -0.076 8.265 8.380 -0.064 0.000 0.426 116 A N 0.779 123.491 122.820 -0.179 0.000 1.877 116 A HA -0.285 nan 4.320 nan 0.000 0.216 116 A C 2.059 179.498 177.584 -0.241 0.000 1.186 116 A CA 3.185 55.055 52.037 -0.277 0.000 0.620 116 A CB -0.650 18.002 19.000 -0.581 0.000 0.822 116 A HN 0.590 8.521 8.150 -0.188 0.107 0.443 117 R N -1.910 118.444 120.500 -0.243 0.000 2.080 117 R HA -0.401 nan 4.340 nan 0.000 0.236 117 R C 2.314 178.626 176.300 0.021 0.000 1.137 117 R CA 3.306 59.385 56.100 -0.034 0.000 0.943 117 R CB -0.458 29.841 30.300 -0.001 0.000 0.846 117 R HN 0.551 8.533 8.270 -0.287 0.116 0.431 118 E N -1.084 119.109 120.200 -0.012 0.000 2.114 118 E HA -0.316 nan 4.350 nan 0.000 0.199 118 E C 2.090 178.704 176.600 0.022 0.000 1.008 118 E CA 2.958 59.361 56.400 0.006 0.000 0.810 118 E CB -0.456 29.240 29.700 -0.006 0.000 0.739 118 E HN -0.248 8.088 8.360 -0.040 0.000 0.456 119 K N -1.434 118.976 120.400 0.016 0.000 2.057 119 K HA -0.227 nan 4.320 nan 0.000 0.206 119 K C 2.638 179.276 176.600 0.062 0.000 1.050 119 K CA 2.632 58.937 56.287 0.031 0.000 0.935 119 K CB -0.009 32.504 32.500 0.021 0.000 0.715 119 K HN -0.713 7.452 8.250 -0.008 0.080 0.439 120 A N -0.318 122.566 122.820 0.107 0.000 1.948 120 A HA -0.228 nan 4.320 nan 0.000 0.220 120 A C 1.774 179.419 177.584 0.101 0.000 1.177 120 A CA 2.615 54.741 52.037 0.148 0.000 0.636 120 A CB -0.640 18.533 19.000 0.289 0.000 0.815 120 A HN -0.077 8.064 8.150 0.104 0.071 0.449 121 R N -3.747 116.804 120.500 0.084 0.000 2.193 121 R HA -0.072 nan 4.340 nan 0.000 0.213 121 R C 1.629 177.963 176.300 0.056 0.000 1.055 121 R CA 0.938 57.077 56.100 0.065 0.000 0.995 121 R CB 0.518 30.849 30.300 0.051 0.000 0.893 121 R HN -0.335 7.975 8.270 0.084 0.011 0.459 122 G N -0.474 108.356 108.800 0.050 0.000 2.699 122 G HA2 -0.506 nan 3.960 nan 0.000 0.351 122 G HA3 -0.506 nan 3.960 nan 0.000 0.351 122 G C 0.457 175.384 174.900 0.045 0.000 1.191 122 G CA 1.917 47.041 45.100 0.041 0.000 0.953 122 G HN -0.374 7.804 8.290 0.051 0.142 0.557 123 A N 2.953 125.798 122.820 0.042 0.000 2.245 123 A HA -0.159 nan 4.320 nan 0.000 0.217 123 A C 0.593 178.215 177.584 0.063 0.000 1.171 123 A CA 2.233 54.296 52.037 0.043 0.000 0.688 123 A CB -0.619 18.403 19.000 0.037 0.000 0.781 123 A HN 0.489 8.662 8.150 0.039 0.000 0.479 124 K N -4.044 116.404 120.400 0.081 0.000 2.536 124 K HA 0.182 nan 4.320 nan 0.000 0.203 124 K C -1.095 175.604 176.600 0.165 0.000 1.063 124 K CA -1.542 54.825 56.287 0.134 0.000 1.063 124 K CB 0.479 33.057 32.500 0.130 0.000 0.843 124 K HN -0.287 7.820 8.250 0.069 0.184 0.521 125 A N 0.150 123.037 122.820 0.111 0.000 2.587 125 A HA -0.157 nan 4.320 nan 0.000 0.233 125 A C 0.257 177.948 177.584 0.180 0.000 1.049 125 A CA 1.311 53.407 52.037 0.098 0.000 0.754 125 A CB 0.199 19.236 19.000 0.062 0.000 0.977 125 A HN -0.266 7.933 8.150 0.083 0.000 0.509 126 I N 0.802 121.447 120.570 0.124 0.000 2.439 126 I HA -0.209 nan 4.170 nan 0.000 0.251 126 I C 0.887 177.088 176.117 0.140 0.000 1.139 126 I CA 1.345 62.751 61.300 0.176 0.000 1.438 126 I CB 0.430 38.426 38.000 -0.006 0.000 1.085 126 I HN 0.020 8.477 8.210 0.049 -0.217 0.427 127 G N -1.181 107.659 108.800 0.068 0.000 2.303 127 G HA2 -0.400 nan 3.960 nan 0.000 0.260 127 G HA3 -0.400 nan 3.960 nan 0.000 0.260 127 G C -0.784 174.128 174.900 0.019 0.000 1.106 127 G CA -0.273 44.848 45.100 0.035 0.000 0.900 127 G HN 0.512 9.346 8.290 0.052 -0.513 0.495 128 T N -3.540 111.019 114.554 0.008 0.000 2.726 128 T HA 0.052 nan 4.350 nan 0.000 0.294 128 T C 1.190 175.879 174.700 -0.020 0.000 1.013 128 T CA 0.345 62.440 62.100 -0.008 0.000 0.996 128 T CB 0.753 69.611 68.868 -0.018 0.000 1.016 128 T HN -0.424 8.105 8.240 0.008 -0.284 0.529 129 T N -4.415 110.116 114.554 -0.039 0.000 3.148 129 T HA 0.073 nan 4.350 nan 0.000 0.253 129 T C 1.603 176.266 174.700 -0.061 0.000 1.134 129 T CA -0.385 61.683 62.100 -0.054 0.000 1.051 129 T CB -0.434 68.383 68.868 -0.085 0.000 0.959 129 T HN 0.277 8.491 8.240 -0.043 0.000 0.525 130 G N 1.925 110.692 108.800 -0.055 0.000 2.176 130 G HA2 -0.335 nan 3.960 nan 0.000 0.252 130 G HA3 -0.335 nan 3.960 nan 0.000 0.252 130 G C 0.199 175.064 174.900 -0.058 0.000 1.024 130 G CA 0.765 45.837 45.100 -0.047 0.000 0.755 130 G HN -0.567 7.635 8.290 -0.048 0.059 0.507 131 R N -0.829 119.609 120.500 -0.105 0.000 2.393 131 R HA 0.098 nan 4.340 nan 0.000 0.244 131 R C 0.502 176.744 176.300 -0.096 0.000 0.920 131 R CA -1.492 54.519 56.100 -0.147 0.000 1.076 131 R CB 0.076 30.099 30.300 -0.462 0.000 1.119 131 R HN -0.587 7.584 8.270 -0.119 0.029 0.524 132 G N -0.516 108.249 108.800 -0.059 0.000 2.176 132 G HA2 -0.297 nan 3.960 nan 0.000 0.252 132 G HA3 -0.297 nan 3.960 nan 0.000 0.252 132 G C 0.033 174.885 174.900 -0.079 0.000 1.024 132 G CA 0.721 45.807 45.100 -0.024 0.000 0.755 132 G HN 0.316 8.838 8.290 -0.058 -0.267 0.507 133 I N 0.304 120.819 120.570 -0.093 0.000 2.252 133 I HA -0.317 nan 4.170 nan 0.000 0.245 133 I C 1.658 177.787 176.117 0.019 0.000 1.102 133 I CA 1.916 63.170 61.300 -0.077 0.000 1.385 133 I CB -1.146 36.838 38.000 -0.026 0.000 1.064 133 I HN -0.604 7.525 8.210 -0.091 0.026 0.414 134 G N -0.161 108.662 108.800 0.038 0.000 2.587 134 G HA2 -0.246 nan 3.960 nan 0.000 0.217 134 G HA3 -0.246 nan 3.960 nan 0.000 0.217 134 G C -1.549 173.389 174.900 0.062 0.000 1.240 134 G CA 3.119 48.264 45.100 0.075 0.000 0.794 134 G HN 0.443 8.737 8.290 0.007 0.000 0.580 135 P HA -0.232 nan 4.420 nan 0.000 0.216 135 P C 1.073 178.283 177.300 -0.150 0.000 1.150 135 P CA 2.495 65.616 63.100 0.035 0.000 0.843 135 P CB -0.477 31.285 31.700 0.103 0.000 0.787 136 A N -2.532 119.985 122.820 -0.506 0.000 1.902 136 A HA -0.250 nan 4.320 nan 0.000 0.217 136 A C 2.371 179.742 177.584 -0.355 0.000 1.181 136 A CA 2.951 54.455 52.037 -0.889 0.000 0.623 136 A CB -0.708 17.836 19.000 -0.759 0.000 0.818 136 A HN -0.465 7.451 8.150 -0.373 0.010 0.443 137 Y N -2.229 117.982 120.300 -0.149 0.000 2.163 137 Y HA -0.418 nan 4.550 nan 0.000 0.288 137 Y C 2.291 178.189 175.900 -0.003 0.000 1.136 137 Y CA 3.241 61.311 58.100 -0.051 0.000 1.147 137 Y CB -0.259 38.185 38.460 -0.027 0.000 0.987 137 Y HN -0.192 7.981 8.280 -0.056 0.073 0.509 138 E N -0.622 119.684 120.200 0.177 0.000 2.021 138 E HA -0.527 nan 4.350 nan 0.000 0.200 138 E C 2.473 179.162 176.600 0.149 0.000 1.015 138 E CA 3.388 59.879 56.400 0.153 0.000 0.824 138 E CB -0.439 29.358 29.700 0.162 0.000 0.762 138 E HN -0.045 8.414 8.360 0.165 0.000 0.454 139 D N -1.052 119.453 120.400 0.175 0.000 2.149 139 D HA -0.326 nan 4.640 nan 0.000 0.194 139 D C 2.078 178.456 176.300 0.129 0.000 1.001 139 D CA 3.153 57.270 54.000 0.195 0.000 0.849 139 D CB -0.605 40.386 40.800 0.319 0.000 0.939 139 D HN -0.297 8.177 8.370 0.174 0.000 0.449 140 K N 0.030 120.497 120.400 0.113 0.000 1.991 140 K HA -0.284 nan 4.320 nan 0.000 0.212 140 K C 2.768 179.430 176.600 0.103 0.000 1.049 140 K CA 3.262 59.613 56.287 0.107 0.000 0.932 140 K CB 0.088 32.666 32.500 0.129 0.000 0.717 140 K HN -0.795 7.434 8.250 0.097 0.079 0.441 141 V N -0.595 119.387 119.914 0.114 0.000 2.759 141 V HA -0.221 nan 4.120 nan 0.000 0.256 141 V C 1.193 177.324 176.094 0.062 0.000 1.080 141 V CA 2.674 65.024 62.300 0.084 0.000 1.101 141 V CB -0.674 31.196 31.823 0.080 0.000 0.698 141 V HN -0.206 8.069 8.190 0.141 0.000 0.477 142 A N -3.806 119.054 122.820 0.066 0.000 2.238 142 A HA -0.017 nan 4.320 nan 0.000 0.208 142 A C -0.431 177.161 177.584 0.013 0.000 1.177 142 A CA 0.028 52.086 52.037 0.035 0.000 0.804 142 A CB -0.160 18.861 19.000 0.036 0.000 0.823 142 A HN 0.269 8.255 8.150 0.088 0.217 0.482 143 R N -5.132 115.388 120.500 0.033 0.000 3.651 143 R HA -0.343 nan 4.340 nan 0.000 0.292 143 R C 0.396 176.703 176.300 0.012 0.000 1.161 143 R CA 1.462 57.578 56.100 0.026 0.000 0.787 143 R CB -2.366 27.942 30.300 0.014 0.000 1.249 143 R HN -0.259 7.845 8.270 0.052 0.197 0.476 144 R N -5.085 115.427 120.500 0.021 0.000 2.531 144 R HA 0.262 nan 4.340 nan 0.000 0.316 144 R C 0.626 176.971 176.300 0.075 0.000 0.955 144 R CA -0.412 55.690 56.100 0.003 0.000 1.120 144 R CB 0.584 30.830 30.300 -0.090 0.000 1.361 144 R HN 0.092 8.368 8.270 0.045 0.020 0.534 145 G N 0.618 109.491 108.800 0.122 0.000 2.606 145 G HA2 -0.054 nan 3.960 nan 0.000 0.252 145 G HA3 -0.054 nan 3.960 nan 0.000 0.252 145 G C -1.305 173.696 174.900 0.168 0.000 1.206 145 G CA -0.461 44.748 45.100 0.183 0.000 0.861 145 G HN -0.607 7.745 8.290 0.104 0.000 0.561 146 L N -0.338 121.015 121.223 0.216 0.000 2.309 146 L HA 0.293 nan 4.340 nan 0.000 0.282 146 L C -0.675 176.316 176.870 0.202 0.000 1.036 146 L CA -0.915 54.070 54.840 0.242 0.000 0.806 146 L CB 0.563 42.829 42.059 0.345 0.000 1.220 146 L HN 0.279 8.666 8.230 0.262 0.000 0.429 147 R N 2.727 123.336 120.500 0.181 0.000 2.705 147 R HA 0.566 nan 4.340 nan 0.000 0.246 147 R C 1.392 177.749 176.300 0.095 0.000 1.142 147 R CA -0.809 55.363 56.100 0.121 0.000 1.114 147 R CB 1.688 32.055 30.300 0.112 0.000 1.256 147 R HN 0.574 9.504 8.270 0.210 -0.534 0.536 148 V N -0.062 119.884 119.914 0.054 0.000 2.358 148 V HA -0.212 nan 4.120 nan 0.000 0.246 148 V C 1.755 177.853 176.094 0.007 0.000 1.047 148 V CA 4.100 66.394 62.300 -0.010 0.000 1.035 148 V CB -0.356 31.455 31.823 -0.019 0.000 0.658 148 V HN 0.283 8.508 8.190 0.057 0.000 0.452 149 G N -1.992 106.898 108.800 0.150 0.000 2.475 149 G HA2 -0.297 nan 3.960 nan 0.000 0.220 149 G HA3 -0.297 nan 3.960 nan 0.000 0.220 149 G C 0.207 175.297 174.900 0.318 0.000 1.125 149 G CA 2.493 47.800 45.100 0.346 0.000 0.755 149 G HN 0.667 8.940 8.290 0.139 0.100 0.565 150 D N -0.416 120.098 120.400 0.190 0.000 2.352 150 D HA -0.098 nan 4.640 nan 0.000 0.232 150 D C 0.499 176.798 176.300 -0.002 0.000 1.055 150 D CA 0.525 54.654 54.000 0.215 0.000 0.891 150 D CB -1.244 39.767 40.800 0.352 0.000 0.897 150 D HN -0.732 7.727 8.370 0.168 0.012 0.529 151 L N -3.189 117.880 121.223 -0.257 0.000 2.341 151 L HA -0.140 nan 4.340 nan 0.000 0.214 151 L C 1.393 178.065 176.870 -0.330 0.000 1.115 151 L CA 1.428 55.915 54.840 -0.588 0.000 0.820 151 L CB 0.107 41.819 42.059 -0.578 0.000 0.944 151 L HN -0.343 7.614 8.230 -0.181 0.164 0.452 152 F N -0.853 119.023 119.950 -0.125 0.000 1.990 152 F HA -0.413 nan 4.527 nan 0.000 0.297 152 F C 1.064 176.839 175.800 -0.042 0.000 1.199 152 F CA 2.904 60.866 58.000 -0.063 0.000 1.184 152 F CB -0.150 38.834 39.000 -0.027 0.000 0.956 152 F HN -0.830 7.435 8.300 -0.013 0.027 0.503 153 D N -2.631 117.904 120.400 0.225 0.000 2.382 153 D HA -0.076 nan 4.640 nan 0.000 0.259 153 D C 0.670 177.052 176.300 0.137 0.000 1.224 153 D CA 0.925 55.016 54.000 0.151 0.000 0.894 153 D CB 0.562 41.450 40.800 0.145 0.000 1.127 153 D HN 0.035 8.572 8.370 0.279 0.000 0.487 154 K N 5.553 126.017 120.400 0.107 0.000 2.262 154 K HA -0.098 nan 4.320 nan 0.000 0.200 154 K C 1.818 178.529 176.600 0.185 0.000 1.049 154 K CA 2.661 59.026 56.287 0.131 0.000 0.979 154 K CB 0.435 32.975 32.500 0.066 0.000 0.773 154 K HN 0.340 8.644 8.250 0.090 0.000 0.474 155 E N -0.836 119.448 120.200 0.140 0.000 2.016 155 E HA -0.190 nan 4.350 nan 0.000 0.190 155 E C 2.181 178.867 176.600 0.142 0.000 0.985 155 E CA 2.872 59.346 56.400 0.124 0.000 0.802 155 E CB -0.636 29.117 29.700 0.087 0.000 0.762 155 E HN -0.389 8.233 8.360 0.119 -0.190 0.448 156 T N 3.500 118.138 114.554 0.140 0.000 2.649 156 T HA -0.346 nan 4.350 nan 0.000 0.268 156 T C 1.620 176.424 174.700 0.173 0.000 1.036 156 T CA 3.934 66.115 62.100 0.136 0.000 1.157 156 T CB -0.508 68.444 68.868 0.139 0.000 0.861 156 T HN -0.701 7.814 8.240 0.127 -0.198 0.445 157 F N 1.603 121.596 119.950 0.072 0.000 2.091 157 F HA -0.467 nan 4.527 nan 0.000 0.299 157 F C 0.492 176.351 175.800 0.098 0.000 1.103 157 F CA 2.970 61.017 58.000 0.077 0.000 1.228 157 F CB -0.152 38.885 39.000 0.062 0.000 0.984 157 F HN -0.682 7.829 8.300 0.356 0.003 0.477 158 A N -2.833 120.056 122.820 0.116 0.000 2.019 158 A HA -0.312 nan 4.320 nan 0.000 0.219 158 A C 2.171 179.807 177.584 0.087 0.000 1.164 158 A CA 3.362 55.458 52.037 0.098 0.000 0.644 158 A CB -1.236 17.902 19.000 0.229 0.000 0.805 158 A HN -0.185 8.122 8.150 0.262 0.000 0.449 159 E N -0.380 119.843 120.200 0.038 0.000 2.001 159 E HA -0.419 nan 4.350 nan 0.000 0.195 159 E C 2.447 179.024 176.600 -0.039 0.000 1.002 159 E CA 3.149 59.550 56.400 0.002 0.000 0.819 159 E CB -0.563 29.144 29.700 0.011 0.000 0.769 159 E HN -0.467 7.909 8.360 0.063 0.022 0.454 160 K N -0.233 120.128 120.400 -0.065 0.000 2.032 160 K HA -0.393 nan 4.320 nan 0.000 0.218 160 K C 2.595 179.108 176.600 -0.146 0.000 1.054 160 K CA 3.095 59.322 56.287 -0.099 0.000 0.941 160 K CB -0.196 32.247 32.500 -0.094 0.000 0.720 160 K HN -0.822 7.406 8.250 -0.037 0.000 0.449 161 L N -1.471 119.579 121.223 -0.289 0.000 1.997 161 L HA -0.359 nan 4.340 nan 0.000 0.216 161 L C 1.575 178.496 176.870 0.084 0.000 1.074 161 L CA 3.035 57.748 54.840 -0.211 0.000 0.763 161 L CB -0.939 40.888 42.059 -0.387 0.000 0.890 161 L HN 0.556 8.389 8.230 -0.472 0.113 0.434 162 K N -1.753 118.766 120.400 0.199 0.000 2.152 162 K HA -0.404 nan 4.320 nan 0.000 0.206 162 K C 2.686 179.233 176.600 -0.089 0.000 1.048 162 K CA 2.587 58.846 56.287 -0.047 0.000 0.933 162 K CB -0.452 31.884 32.500 -0.273 0.000 0.721 162 K HN 0.024 8.199 8.250 0.176 0.181 0.447 163 E N -0.927 119.228 120.200 -0.074 0.000 2.072 163 E HA -0.250 nan 4.350 nan 0.000 0.190 163 E C 2.286 178.824 176.600 -0.103 0.000 0.982 163 E CA 3.051 59.401 56.400 -0.084 0.000 0.803 163 E CB 0.344 29.997 29.700 -0.079 0.000 0.755 163 E HN -0.264 7.938 8.360 -0.063 0.120 0.453 164 V N 0.327 120.163 119.914 -0.129 0.000 2.649 164 V HA -0.176 nan 4.120 nan 0.000 0.248 164 V C 1.526 177.457 176.094 -0.271 0.000 1.054 164 V CA 3.493 65.670 62.300 -0.204 0.000 1.073 164 V CB -0.291 31.459 31.823 -0.121 0.000 0.699 164 V HN -0.357 7.770 8.190 -0.105 0.000 0.463 165 M N -0.882 118.550 119.600 -0.281 0.000 2.254 165 M HA -0.364 nan 4.480 nan 0.000 0.265 165 M C 1.625 177.888 176.300 -0.062 0.000 1.066 165 M CA 4.187 59.314 55.300 -0.288 0.000 1.123 165 M CB -0.479 32.021 32.600 -0.167 0.000 1.388 165 M HN -0.246 7.924 8.290 -0.201 0.000 0.425 166 E N 1.084 121.264 120.200 -0.033 0.000 2.013 166 E HA -0.459 nan 4.350 nan 0.000 0.202 166 E C 1.672 178.326 176.600 0.089 0.000 1.018 166 E CA 3.551 59.962 56.400 0.018 0.000 0.834 166 E CB -0.350 29.345 29.700 -0.008 0.000 0.770 166 E HN -0.541 7.782 8.360 -0.061 0.000 0.459 167 Y N -1.061 119.187 120.300 -0.086 0.000 2.151 167 Y HA -0.482 nan 4.550 nan 0.000 0.284 167 Y C 2.326 178.225 175.900 -0.000 0.000 1.166 167 Y CA 3.503 61.550 58.100 -0.089 0.000 1.163 167 Y CB -0.080 38.241 38.460 -0.231 0.000 0.974 167 Y HN -0.743 7.605 8.280 0.113 0.000 0.511 168 H N -1.653 117.521 119.070 0.174 0.000 2.428 168 H HA -0.318 nan 4.556 nan 0.000 0.296 168 H C 2.729 178.092 175.328 0.059 0.000 1.062 168 H CA 3.145 59.249 56.048 0.095 0.000 1.350 168 H CB 0.081 29.870 29.762 0.046 0.000 1.403 168 H HN -0.272 7.979 8.280 0.067 0.069 0.533 169 N N 0.503 119.297 118.700 0.157 0.000 2.080 169 N HA -0.301 nan 4.740 nan 0.000 0.189 169 N C 1.653 177.217 175.510 0.091 0.000 1.036 169 N CA 3.143 56.258 53.050 0.108 0.000 0.846 169 N CB -0.323 38.208 38.487 0.072 0.000 1.015 169 N HN 0.495 8.744 8.380 0.119 0.202 0.423 170 F N 0.969 120.901 119.950 -0.031 0.000 2.063 170 F HA -0.523 nan 4.527 nan 0.000 0.298 170 F C 1.031 176.811 175.800 -0.034 0.000 1.105 170 F CA 3.980 61.946 58.000 -0.056 0.000 1.215 170 F CB 0.082 39.010 39.000 -0.120 0.000 0.972 170 F HN 0.413 8.835 8.300 0.204 0.000 0.483 171 Q N -2.378 117.552 119.800 0.217 0.000 2.079 171 Q HA -0.362 nan 4.340 nan 0.000 0.200 171 Q C 2.405 178.583 176.000 0.297 0.000 0.974 171 Q CA 2.681 58.609 55.803 0.207 0.000 0.840 171 Q CB -0.344 28.486 28.738 0.153 0.000 0.898 171 Q HN -0.578 7.792 8.270 0.168 0.000 0.430 172 L N -0.594 120.805 121.223 0.293 0.000 2.013 172 L HA -0.481 nan 4.340 nan 0.000 0.212 172 L C 2.247 179.239 176.870 0.204 0.000 1.073 172 L CA 3.207 58.230 54.840 0.305 0.000 0.753 172 L CB -0.100 42.053 42.059 0.157 0.000 0.890 172 L HN -0.114 8.199 8.230 0.235 0.059 0.432 173 V N -1.582 118.363 119.914 0.052 0.000 2.284 173 V HA -0.399 nan 4.120 nan 0.000 0.236 173 V C 2.198 178.237 176.094 -0.092 0.000 1.044 173 V CA 4.469 66.751 62.300 -0.030 0.000 1.019 173 V CB -0.685 31.085 31.823 -0.088 0.000 0.657 173 V HN 0.449 8.651 8.190 0.020 0.000 0.465 174 N N -0.339 118.211 118.700 -0.251 0.000 2.036 174 N HA -0.407 nan 4.740 nan 0.000 0.199 174 N C 1.764 177.194 175.510 -0.133 0.000 1.036 174 N CA 3.385 56.264 53.050 -0.287 0.000 0.870 174 N CB -0.566 37.536 38.487 -0.642 0.000 1.055 174 N HN -0.418 7.741 8.380 -0.368 0.000 0.436 175 Y N 1.756 121.926 120.300 -0.216 0.000 2.114 175 Y HA -0.357 nan 4.550 nan 0.000 0.284 175 Y C 2.405 178.129 175.900 -0.293 0.000 1.119 175 Y CA 4.319 62.254 58.100 -0.275 0.000 1.108 175 Y CB 0.414 38.632 38.460 -0.404 0.000 0.995 175 Y HN -0.649 7.629 8.280 -0.004 0.000 0.491 176 Y N -4.649 115.648 120.300 -0.005 0.000 2.519 176 Y HA -0.241 nan 4.550 nan 0.000 0.287 176 Y C -0.246 175.600 175.900 -0.090 0.000 1.128 176 Y CA 1.815 59.867 58.100 -0.080 0.000 1.282 176 Y CB 0.244 38.731 38.460 0.045 0.000 1.027 176 Y HN -0.627 7.715 8.280 0.102 0.000 0.551 177 K N -5.275 115.148 120.400 0.038 0.000 3.150 177 K HA -0.421 nan 4.320 nan 0.000 0.267 177 K C -1.022 175.601 176.600 0.039 0.000 1.028 177 K CA 0.294 56.581 56.287 -0.000 0.000 0.753 177 K CB -2.475 29.997 32.500 -0.047 0.000 1.288 177 K HN -0.112 8.031 8.250 0.028 0.123 0.473 178 A N -0.895 121.976 122.820 0.084 0.000 2.420 178 A HA 0.214 nan 4.320 nan 0.000 0.291 178 A C -1.652 175.955 177.584 0.037 0.000 1.228 178 A CA -0.837 51.236 52.037 0.059 0.000 0.933 178 A CB 1.454 20.493 19.000 0.065 0.000 1.428 178 A HN 0.046 8.165 8.150 0.127 0.107 0.493 179 E N -1.961 118.255 120.200 0.026 0.000 2.349 179 E HA 0.018 nan 4.350 nan 0.000 0.265 179 E C -1.491 175.128 176.600 0.032 0.000 1.064 179 E CA -0.508 55.905 56.400 0.021 0.000 0.886 179 E CB 0.714 30.423 29.700 0.016 0.000 1.036 179 E HN -0.023 8.350 8.360 0.022 0.000 0.413 180 A N -0.203 122.635 122.820 0.031 0.000 2.293 180 A HA 0.208 nan 4.320 nan 0.000 0.302 180 A C -0.495 177.120 177.584 0.052 0.000 1.119 180 A CA -0.394 51.669 52.037 0.044 0.000 0.823 180 A CB 1.107 20.127 19.000 0.034 0.000 1.097 180 A HN 0.041 8.204 8.150 0.022 0.000 0.491 181 V N 1.097 121.055 119.914 0.073 0.000 2.539 181 V HA 0.130 nan 4.120 nan 0.000 0.292 181 V C -1.158 174.990 176.094 0.091 0.000 1.045 181 V CA -0.483 61.867 62.300 0.083 0.000 0.945 181 V CB 1.130 33.027 31.823 0.123 0.000 0.993 181 V HN -0.086 8.367 8.190 0.081 -0.213 0.464 182 D N 3.310 123.760 120.400 0.083 0.000 2.277 182 D HA -0.013 nan 4.640 nan 0.000 0.249 182 D C -0.323 176.054 176.300 0.127 0.000 1.134 182 D CA -0.466 53.595 54.000 0.101 0.000 0.863 182 D CB 1.542 42.388 40.800 0.076 0.000 1.143 182 D HN -0.329 8.083 8.370 0.068 0.000 0.458 183 Y N 7.400 127.717 120.300 0.028 0.000 2.181 183 Y HA -0.451 nan 4.550 nan 0.000 0.288 183 Y C 1.272 177.194 175.900 0.037 0.000 1.146 183 Y CA 3.942 62.057 58.100 0.026 0.000 1.164 183 Y CB 0.392 38.852 38.460 0.001 0.000 0.982 183 Y HN 0.644 9.083 8.280 0.264 0.000 0.515 184 Q N -1.782 118.123 119.800 0.176 0.000 2.096 184 Q HA -0.405 nan 4.340 nan 0.000 0.204 184 Q C 2.208 178.189 176.000 -0.032 0.000 0.982 184 Q CA 2.824 58.672 55.803 0.074 0.000 0.850 184 Q CB -0.552 28.261 28.738 0.124 0.000 0.901 184 Q HN -0.454 8.257 8.270 0.269 -0.280 0.422 185 K N -0.344 120.051 120.400 -0.008 0.000 1.984 185 K HA -0.280 nan 4.320 nan 0.000 0.209 185 K C 1.945 178.521 176.600 -0.041 0.000 1.046 185 K CA 3.422 59.701 56.287 -0.014 0.000 0.934 185 K CB -0.020 32.484 32.500 0.007 0.000 0.717 185 K HN -0.301 8.262 8.250 0.027 -0.296 0.438 186 V N 0.266 120.152 119.914 -0.046 0.000 2.250 186 V HA -0.424 nan 4.120 nan 0.000 0.250 186 V C 2.459 178.508 176.094 -0.074 0.000 1.060 186 V CA 4.066 66.342 62.300 -0.039 0.000 1.030 186 V CB -0.923 30.902 31.823 0.003 0.000 0.643 186 V HN -0.615 7.559 8.190 -0.028 0.000 0.445 187 L N -1.125 119.972 121.223 -0.210 0.000 2.013 187 L HA -0.486 nan 4.340 nan 0.000 0.212 187 L C 1.351 178.193 176.870 -0.047 0.000 1.073 187 L CA 3.712 58.443 54.840 -0.182 0.000 0.753 187 L CB -0.626 41.185 42.059 -0.413 0.000 0.890 187 L HN 0.229 8.267 8.230 -0.338 -0.010 0.432 188 D N -0.844 119.527 120.400 -0.050 0.000 2.088 188 D HA -0.381 nan 4.640 nan 0.000 0.191 188 D C 2.304 178.592 176.300 -0.020 0.000 0.992 188 D CA 3.650 57.638 54.000 -0.021 0.000 0.831 188 D CB -0.863 39.929 40.800 -0.014 0.000 0.973 188 D HN -0.319 7.941 8.370 -0.071 0.067 0.447 189 D N -0.106 120.280 120.400 -0.023 0.000 2.133 189 D HA -0.352 nan 4.640 nan 0.000 0.192 189 D C 2.650 178.930 176.300 -0.035 0.000 1.001 189 D CA 3.556 57.540 54.000 -0.028 0.000 0.844 189 D CB -0.187 40.596 40.800 -0.028 0.000 0.944 189 D HN -0.057 8.298 8.370 -0.025 0.000 0.447 190 T N 2.162 116.703 114.554 -0.022 0.000 2.674 190 T HA -0.296 nan 4.350 nan 0.000 0.265 190 T C 2.193 176.848 174.700 -0.076 0.000 1.039 190 T CA 4.155 66.234 62.100 -0.035 0.000 1.150 190 T CB -0.229 68.665 68.868 0.043 0.000 0.864 190 T HN -0.464 7.772 8.240 -0.007 0.000 0.427 191 M N 0.712 120.284 119.600 -0.047 0.000 2.149 191 M HA -0.334 nan 4.480 nan 0.000 0.261 191 M C 1.975 178.239 176.300 -0.061 0.000 1.064 191 M CA 1.915 57.180 55.300 -0.059 0.000 1.102 191 M CB -1.252 31.340 32.600 -0.014 0.000 1.369 191 M HN -0.131 8.154 8.290 -0.009 0.000 0.408 192 A N -2.384 120.408 122.820 -0.047 0.000 1.958 192 A HA -0.186 nan 4.320 nan 0.000 0.221 192 A C 1.525 179.073 177.584 -0.059 0.000 1.178 192 A CA 2.802 54.812 52.037 -0.044 0.000 0.642 192 A CB 0.050 19.027 19.000 -0.038 0.000 0.816 192 A HN 0.473 8.398 8.150 -0.038 0.202 0.453 193 V N -8.342 111.526 119.914 -0.077 0.000 3.556 193 V HA 0.325 nan 4.120 nan 0.000 0.287 193 V C 1.299 177.316 176.094 -0.128 0.000 1.422 193 V CA -0.935 61.311 62.300 -0.091 0.000 1.038 193 V CB -0.274 31.500 31.823 -0.082 0.000 0.850 193 V HN -0.419 7.592 8.190 -0.080 0.131 0.437 194 A N 2.128 124.851 122.820 -0.162 0.000 1.944 194 A HA -0.537 nan 4.320 nan 0.000 0.222 194 A C 1.234 178.679 177.584 -0.232 0.000 1.237 194 A CA 3.897 55.794 52.037 -0.234 0.000 0.668 194 A CB -0.973 17.870 19.000 -0.263 0.000 0.830 194 A HN 0.401 8.463 8.150 -0.148 0.000 0.471 195 D N -1.989 118.312 120.400 -0.166 0.000 2.144 195 D HA -0.302 nan 4.640 nan 0.000 0.199 195 D C 2.291 178.516 176.300 -0.124 0.000 0.984 195 D CA 4.010 57.927 54.000 -0.139 0.000 0.834 195 D CB -0.317 40.434 40.800 -0.083 0.000 0.955 195 D HN 0.100 8.384 8.370 -0.136 0.004 0.465 196 I N -0.556 119.949 120.570 -0.107 0.000 2.252 196 I HA -0.450 nan 4.170 nan 0.000 0.245 196 I C 2.304 178.360 176.117 -0.101 0.000 1.102 196 I CA 3.464 64.713 61.300 -0.085 0.000 1.385 196 I CB -0.077 37.880 38.000 -0.072 0.000 1.064 196 I HN -0.155 7.891 8.210 -0.108 0.099 0.414 197 L N -0.232 120.909 121.223 -0.137 0.000 2.027 197 L HA -0.355 nan 4.340 nan 0.000 0.206 197 L C 2.683 179.442 176.870 -0.185 0.000 1.074 197 L CA 3.786 58.536 54.840 -0.149 0.000 0.745 197 L CB -0.725 41.228 42.059 -0.177 0.000 0.898 197 L HN -0.333 7.809 8.230 -0.147 0.000 0.433 198 T N -0.192 114.186 114.554 -0.293 0.000 2.977 198 T HA -0.171 nan 4.350 nan 0.000 0.271 198 T C 1.455 176.059 174.700 -0.161 0.000 1.105 198 T CA 3.340 65.175 62.100 -0.442 0.000 1.116 198 T CB -0.406 68.002 68.868 -0.767 0.000 0.878 198 T HN 0.350 8.300 8.240 -0.302 0.109 0.509 199 S N 0.642 116.289 115.700 -0.088 0.000 2.501 199 S HA 0.025 nan 4.470 nan 0.000 0.220 199 S C 1.351 175.954 174.600 0.005 0.000 0.997 199 S CA 2.322 60.515 58.200 -0.012 0.000 0.919 199 S CB 0.270 63.459 63.200 -0.019 0.000 0.778 199 S HN -0.352 7.750 8.310 -0.113 0.140 0.523 200 M N -0.072 119.518 119.600 -0.016 0.000 2.514 200 M HA 0.019 nan 4.480 nan 0.000 0.258 200 M C 0.335 176.651 176.300 0.026 0.000 1.119 200 M CA 0.479 55.781 55.300 0.002 0.000 1.111 200 M CB 0.584 33.176 32.600 -0.013 0.000 1.390 200 M HN -0.615 7.498 8.290 -0.049 0.148 0.475 201 V N 0.474 120.412 119.914 0.040 0.000 2.790 201 V HA -0.149 nan 4.120 nan 0.000 0.304 201 V C -0.249 175.901 176.094 0.093 0.000 1.142 201 V CA 2.310 64.666 62.300 0.093 0.000 1.282 201 V CB -0.624 31.326 31.823 0.211 0.000 0.877 201 V HN -0.730 7.437 8.190 0.010 0.029 0.504 202 V N 6.179 126.138 119.914 0.075 0.000 3.188 202 V HA 0.320 nan 4.120 nan 0.000 0.305 202 V C -1.655 174.465 176.094 0.043 0.000 1.232 202 V CA -1.555 60.777 62.300 0.053 0.000 1.043 202 V CB 4.890 36.734 31.823 0.035 0.000 1.068 202 V HN 0.918 9.151 8.190 0.071 0.000 0.439 203 D N 5.561 125.977 120.400 0.026 0.000 2.517 203 D HA 0.235 nan 4.640 nan 0.000 0.220 203 D C 0.851 177.153 176.300 0.003 0.000 1.158 203 D CA -0.197 53.814 54.000 0.018 0.000 0.992 203 D CB -0.747 40.059 40.800 0.010 0.000 1.058 203 D HN 0.157 8.540 8.370 0.022 0.000 0.516 204 V N 4.194 124.113 119.914 0.009 0.000 2.231 204 V HA -0.444 nan 4.120 nan 0.000 0.248 204 V C 1.414 177.504 176.094 -0.007 0.000 1.054 204 V CA 3.993 66.287 62.300 -0.009 0.000 1.015 204 V CB -0.502 31.332 31.823 0.018 0.000 0.638 204 V HN -0.474 7.700 8.190 0.025 0.031 0.444 205 S N -1.077 114.636 115.700 0.023 0.000 2.368 205 S HA -0.546 nan 4.470 nan 0.000 0.226 205 S C 1.976 176.581 174.600 0.009 0.000 1.044 205 S CA 3.177 61.396 58.200 0.032 0.000 1.062 205 S CB -0.683 62.543 63.200 0.042 0.000 0.931 205 S HN -0.309 8.021 8.310 0.033 0.000 0.440 206 D N 2.449 122.849 120.400 -0.001 0.000 2.097 206 D HA -0.216 nan 4.640 nan 0.000 0.195 206 D C 2.122 178.400 176.300 -0.037 0.000 0.989 206 D CA 2.603 56.596 54.000 -0.012 0.000 0.827 206 D CB 0.079 40.876 40.800 -0.005 0.000 0.966 206 D HN -0.765 7.849 8.370 0.005 -0.240 0.456 207 L N 0.595 121.783 121.223 -0.060 0.000 1.989 207 L HA -0.368 nan 4.340 nan 0.000 0.211 207 L C 1.727 178.498 176.870 -0.166 0.000 1.071 207 L CA 3.275 58.050 54.840 -0.109 0.000 0.749 207 L CB -0.019 41.948 42.059 -0.153 0.000 0.890 207 L HN -0.427 7.775 8.230 -0.047 0.000 0.431 208 L N -2.566 118.556 121.223 -0.169 0.000 2.081 208 L HA -0.538 nan 4.340 nan 0.000 0.212 208 L C 2.312 179.136 176.870 -0.076 0.000 1.080 208 L CA 3.249 58.003 54.840 -0.144 0.000 0.754 208 L CB -1.009 41.034 42.059 -0.028 0.000 0.893 208 L HN 0.146 8.298 8.230 -0.130 0.000 0.433 209 D N -1.488 118.877 120.400 -0.059 0.000 2.144 209 D HA -0.282 nan 4.640 nan 0.000 0.199 209 D C 2.181 178.440 176.300 -0.068 0.000 0.984 209 D CA 3.242 57.200 54.000 -0.070 0.000 0.834 209 D CB -0.052 40.725 40.800 -0.038 0.000 0.955 209 D HN -0.503 7.758 8.370 -0.046 0.082 0.465 210 Q N -1.026 118.746 119.800 -0.048 0.000 1.967 210 Q HA -0.332 nan 4.340 nan 0.000 0.202 210 Q C 2.451 178.453 176.000 0.004 0.000 0.985 210 Q CA 2.350 58.141 55.803 -0.019 0.000 0.839 210 Q CB -0.623 28.115 28.738 -0.001 0.000 0.906 210 Q HN 0.052 8.095 8.270 -0.053 0.195 0.423 211 A N -0.486 122.342 122.820 0.012 0.000 1.944 211 A HA -0.440 nan 4.320 nan 0.000 0.222 211 A C 2.253 179.887 177.584 0.082 0.000 1.237 211 A CA 3.141 55.248 52.037 0.116 0.000 0.668 211 A CB -0.848 18.197 19.000 0.075 0.000 0.830 211 A HN 0.668 8.673 8.150 -0.055 0.112 0.471 212 R N -2.005 118.500 120.500 0.008 0.000 2.073 212 R HA -0.284 nan 4.340 nan 0.000 0.229 212 R C 3.077 179.353 176.300 -0.041 0.000 1.120 212 R CA 3.017 59.096 56.100 -0.034 0.000 0.967 212 R CB -0.054 30.139 30.300 -0.179 0.000 0.862 212 R HN -0.459 7.790 8.270 -0.027 0.004 0.436 213 Q N -1.854 117.915 119.800 -0.051 0.000 2.376 213 Q HA -0.237 nan 4.340 nan 0.000 0.211 213 Q C 1.317 177.317 176.000 0.001 0.000 0.986 213 Q CA 2.547 58.332 55.803 -0.030 0.000 0.886 213 Q CB -0.559 28.166 28.738 -0.021 0.000 0.927 213 Q HN -0.374 7.860 8.270 -0.061 0.000 0.457 214 R N -3.969 116.543 120.500 0.019 0.000 2.282 214 R HA 0.154 nan 4.340 nan 0.000 0.195 214 R C 0.367 176.697 176.300 0.049 0.000 0.909 214 R CA -0.475 55.643 56.100 0.030 0.000 1.039 214 R CB 0.653 30.973 30.300 0.033 0.000 1.015 214 R HN -0.649 7.485 8.270 0.023 0.150 0.513 215 G N 0.196 109.043 108.800 0.078 0.000 2.212 215 G HA2 -0.428 nan 3.960 nan 0.000 0.255 215 G HA3 -0.428 nan 3.960 nan 0.000 0.255 215 G C -0.492 174.515 174.900 0.180 0.000 1.062 215 G CA 0.155 45.338 45.100 0.138 0.000 0.815 215 G HN -0.168 8.007 8.290 0.062 0.152 0.497 216 D N 0.452 120.952 120.400 0.167 0.000 2.362 216 D HA -0.075 nan 4.640 nan 0.000 0.242 216 D C -0.395 176.120 176.300 0.359 0.000 1.132 216 D CA 0.454 54.550 54.000 0.159 0.000 0.907 216 D CB 1.092 42.021 40.800 0.214 0.000 1.195 216 D HN -0.030 8.324 8.370 0.148 0.105 0.429 217 F N -0.670 119.273 119.950 -0.012 0.000 2.438 217 F HA 0.065 nan 4.527 nan 0.000 0.356 217 F C -0.439 175.448 175.800 0.145 0.000 1.099 217 F CA -1.974 56.025 58.000 -0.002 0.000 1.185 217 F CB 0.759 39.500 39.000 -0.433 0.000 1.115 217 F HN -0.101 8.222 8.300 0.037 0.000 0.526 218 V N 5.551 125.730 119.914 0.441 0.000 2.483 218 V HA 0.544 nan 4.120 nan 0.000 0.297 218 V C -2.048 174.190 176.094 0.239 0.000 1.027 218 V CA -1.461 61.004 62.300 0.274 0.000 0.855 218 V CB 1.909 33.818 31.823 0.142 0.000 0.995 218 V HN 0.681 9.163 8.190 0.487 0.000 0.424 219 M N 6.628 126.324 119.600 0.160 0.000 2.180 219 M HA 0.599 nan 4.480 nan 0.000 0.350 219 M C -1.906 174.402 176.300 0.012 0.000 1.125 219 M CA -1.384 54.021 55.300 0.174 0.000 1.031 219 M CB 3.097 35.837 32.600 0.233 0.000 1.623 219 M HN 0.661 9.035 8.290 0.139 0.000 0.451 220 F N 6.207 126.256 119.950 0.166 0.000 2.410 220 F HA 0.497 nan 4.527 nan 0.000 0.349 220 F C -1.609 174.362 175.800 0.286 0.000 1.117 220 F CA -0.600 57.537 58.000 0.227 0.000 1.104 220 F CB 1.001 40.072 39.000 0.118 0.000 1.122 220 F HN 0.984 9.485 8.300 0.517 0.110 0.483 221 E N 5.429 125.901 120.200 0.454 0.000 2.114 221 E HA 0.476 nan 4.350 nan 0.000 0.266 221 E C -0.193 176.524 176.600 0.196 0.000 0.896 221 E CA -1.984 54.596 56.400 0.300 0.000 0.750 221 E CB 2.562 32.378 29.700 0.192 0.000 1.121 221 E HN 0.526 9.153 8.360 0.446 0.000 0.413 222 G N 4.256 113.196 108.800 0.233 0.000 2.606 222 G HA2 0.032 nan 3.960 nan 0.000 0.252 222 G HA3 0.032 nan 3.960 nan 0.000 0.252 222 G C -2.269 172.653 174.900 0.036 0.000 1.206 222 G CA -0.242 44.888 45.100 0.051 0.000 0.861 222 G HN 0.699 9.053 8.290 0.292 0.112 0.561 223 A N 0.347 123.149 122.820 -0.029 0.000 2.393 223 A HA 0.386 nan 4.320 nan 0.000 0.306 223 A C -1.520 176.108 177.584 0.073 0.000 1.050 223 A CA -0.925 51.158 52.037 0.077 0.000 0.724 223 A CB 2.070 21.057 19.000 -0.023 0.000 1.248 223 A HN -0.083 8.022 8.150 -0.075 0.000 0.424 224 Q N 0.639 120.507 119.800 0.114 0.000 0.481 224 Q HA -0.341 nan 4.340 nan 0.000 0.316 224 Q C -0.557 175.476 176.000 0.056 0.000 1.083 224 Q CA 1.058 56.910 55.803 0.082 0.000 0.307 224 Q CB -0.280 28.498 28.738 0.066 0.000 5.524 224 Q HN 0.467 8.848 8.270 0.185 0.000 0.325 225 G N -4.692 104.130 108.800 0.037 0.000 2.932 225 G HA2 0.412 nan 3.960 nan 0.000 0.283 225 G HA3 0.412 nan 3.960 nan 0.000 0.283 225 G C -0.411 174.467 174.900 -0.036 0.000 1.336 225 G CA -1.414 43.677 45.100 -0.015 0.000 1.056 225 G HN -0.102 8.219 8.290 0.051 0.000 0.522 226 T N 3.864 118.362 114.554 -0.094 0.000 2.777 226 T HA -0.104 nan 4.350 nan 0.000 0.266 226 T C 2.271 176.903 174.700 -0.114 0.000 1.040 226 T CA 4.737 66.784 62.100 -0.087 0.000 1.141 226 T CB -0.028 68.779 68.868 -0.103 0.000 0.868 226 T HN -0.027 8.143 8.240 -0.117 0.000 0.444 227 L N -0.440 120.605 121.223 -0.297 0.000 2.713 227 L HA -0.010 nan 4.340 nan 0.000 0.245 227 L C -0.067 176.792 176.870 -0.019 0.000 1.169 227 L CA 0.859 55.552 54.840 -0.246 0.000 0.962 227 L CB -1.454 40.270 42.059 -0.558 0.000 1.161 227 L HN 0.329 8.277 8.230 -0.469 0.000 0.427 228 L N -2.759 118.476 121.223 0.019 0.000 2.731 228 L HA 0.100 nan 4.340 nan 0.000 0.240 228 L C -0.259 176.658 176.870 0.079 0.000 1.120 228 L CA -0.940 53.955 54.840 0.091 0.000 0.913 228 L CB 0.739 42.856 42.059 0.097 0.000 1.213 228 L HN -0.800 7.314 8.230 -0.018 0.105 0.515 229 D N 1.512 121.959 120.400 0.077 0.000 2.583 229 D HA -0.245 nan 4.640 nan 0.000 0.232 229 D C 0.663 177.016 176.300 0.087 0.000 1.128 229 D CA 2.229 56.285 54.000 0.093 0.000 0.859 229 D CB 1.653 42.547 40.800 0.157 0.000 1.169 229 D HN -0.337 7.961 8.370 0.063 0.109 0.481 230 I N 6.621 127.220 120.570 0.049 0.000 2.335 230 I HA -0.366 nan 4.170 nan 0.000 0.251 230 I C 0.066 176.199 176.117 0.028 0.000 1.129 230 I CA 2.144 63.482 61.300 0.062 0.000 1.402 230 I CB 0.483 38.483 38.000 -0.001 0.000 1.069 230 I HN -0.052 8.172 8.210 0.024 0.000 0.424 231 D N -2.045 118.309 120.400 -0.076 0.000 2.320 231 D HA -0.015 nan 4.640 nan 0.000 0.228 231 D C 1.262 177.362 176.300 -0.334 0.000 0.978 231 D CA 2.695 56.525 54.000 -0.283 0.000 0.905 231 D CB 1.012 41.524 40.800 -0.480 0.000 1.051 231 D HN -0.175 8.436 8.370 -0.031 -0.260 0.471 232 H N -2.378 116.709 119.070 0.029 0.000 2.539 232 H HA 0.180 nan 4.556 nan 0.000 0.267 232 H C 0.558 175.941 175.328 0.092 0.000 0.982 232 H CA 0.395 56.473 56.048 0.050 0.000 1.146 232 H CB 0.643 30.420 29.762 0.025 0.000 1.382 232 H HN -0.074 8.558 8.280 -0.058 -0.387 0.577 233 G N -1.442 107.457 108.800 0.166 0.000 2.511 233 G HA2 0.253 nan 3.960 nan 0.000 0.316 233 G HA3 0.253 nan 3.960 nan 0.000 0.316 233 G C -0.478 174.554 174.900 0.220 0.000 1.210 233 G CA -0.945 44.258 45.100 0.173 0.000 0.969 233 G HN -0.398 7.843 8.290 0.127 0.124 0.492 234 T N 0.052 114.722 114.554 0.194 0.000 3.826 234 T HA -0.042 nan 4.350 nan 0.000 0.239 234 T C -0.282 174.560 174.700 0.237 0.000 1.007 234 T CA -0.571 61.632 62.100 0.172 0.000 1.171 234 T CB -2.164 66.681 68.868 -0.038 0.000 1.153 234 T HN -0.066 8.275 8.240 0.169 0.000 0.854 235 Y N 6.937 127.304 120.300 0.111 0.000 2.597 235 Y HA -0.122 nan 4.550 nan 0.000 0.336 235 Y C -1.347 174.583 175.900 0.050 0.000 1.216 235 Y CA -0.459 57.668 58.100 0.044 0.000 1.463 235 Y CB 1.076 39.552 38.460 0.027 0.000 1.303 235 Y HN 0.551 9.000 8.280 0.364 0.049 0.576 236 P HA 0.048 nan 4.420 nan 0.000 0.257 236 P C -1.327 175.504 177.300 -0.782 0.000 1.325 236 P CA 0.617 63.107 63.100 -1.017 0.000 0.850 236 P CB -0.257 30.824 31.700 -1.031 0.000 1.324 237 Y N 2.647 122.864 120.300 -0.138 0.000 2.767 237 Y HA -0.036 nan 4.550 nan 0.000 0.354 237 Y C -1.902 173.980 175.900 -0.030 0.000 1.292 237 Y CA 0.010 58.059 58.100 -0.086 0.000 1.749 237 Y CB -2.522 35.889 38.460 -0.081 0.000 1.841 237 Y HN 0.060 8.178 8.280 -0.001 0.160 0.454 238 V N -7.160 112.758 119.914 0.007 0.000 3.156 238 V HA 0.565 nan 4.120 nan 0.000 0.310 238 V C -1.389 174.717 176.094 0.020 0.000 1.234 238 V CA -3.190 59.143 62.300 0.055 0.000 1.065 238 V CB 3.335 35.208 31.823 0.084 0.000 1.088 238 V HN -0.722 7.349 8.190 -0.117 0.049 0.451 239 T N -0.186 114.389 114.554 0.035 0.000 2.881 239 T HA 0.278 nan 4.350 nan 0.000 0.278 239 T C -0.073 174.616 174.700 -0.019 0.000 0.982 239 T CA -1.905 60.205 62.100 0.016 0.000 0.989 239 T CB 0.577 69.465 68.868 0.032 0.000 1.058 239 T HN 0.169 8.441 8.240 0.053 0.000 0.529 240 S N 1.671 117.340 115.700 -0.052 0.000 2.671 240 S HA 0.156 nan 4.470 nan 0.000 0.220 240 S C -0.686 173.636 174.600 -0.463 0.000 0.951 240 S CA 1.295 59.390 58.200 -0.175 0.000 0.932 240 S CB 0.275 63.422 63.200 -0.089 0.000 0.777 240 S HN 0.329 8.642 8.310 0.005 0.000 0.508 241 S N -0.300 115.211 115.700 -0.315 0.000 2.634 241 S HA 0.189 nan 4.470 nan 0.000 0.296 241 S C -1.519 173.028 174.600 -0.088 0.000 1.104 241 S CA -1.787 56.218 58.200 -0.326 0.000 0.920 241 S CB 3.204 66.261 63.200 -0.238 0.000 1.111 241 S HN -0.644 7.499 8.310 -0.147 0.079 0.493 242 N N 3.054 121.736 118.700 -0.031 0.000 2.448 242 N HA 0.076 nan 4.740 nan 0.000 0.250 242 N C 0.327 175.910 175.510 0.121 0.000 1.136 242 N CA 0.429 53.511 53.050 0.054 0.000 0.953 242 N CB 0.023 38.548 38.487 0.063 0.000 1.251 242 N HN 0.380 8.726 8.380 -0.056 0.000 0.502 243 T N -1.180 113.439 114.554 0.108 0.000 3.023 243 T HA -0.011 nan 4.350 nan 0.000 0.266 243 T C 0.912 175.716 174.700 0.174 0.000 1.093 243 T CA 0.978 63.163 62.100 0.143 0.000 1.129 243 T CB 0.470 69.388 68.868 0.083 0.000 0.899 243 T HN -0.330 7.957 8.240 0.079 0.000 0.491 244 T N -0.179 114.437 114.554 0.104 0.000 2.802 244 T HA 0.063 nan 4.350 nan 0.000 0.305 244 T C 1.020 175.726 174.700 0.010 0.000 1.053 244 T CA -1.032 61.089 62.100 0.035 0.000 1.058 244 T CB 0.847 69.696 68.868 -0.032 0.000 0.988 244 T HN -0.672 7.833 8.240 0.099 -0.206 0.539 245 A N 1.833 124.611 122.820 -0.070 0.000 2.054 245 A HA -0.361 nan 4.320 nan 0.000 0.223 245 A C 2.317 179.777 177.584 -0.206 0.000 1.169 245 A CA 2.981 54.921 52.037 -0.162 0.000 0.655 245 A CB -0.561 18.335 19.000 -0.174 0.000 0.812 245 A HN 0.166 8.563 8.150 -0.075 -0.292 0.462 246 G N -1.906 106.816 108.800 -0.131 0.000 2.484 246 G HA2 -0.242 nan 3.960 nan 0.000 0.218 246 G HA3 -0.242 nan 3.960 nan 0.000 0.218 246 G C 1.134 175.979 174.900 -0.092 0.000 1.130 246 G CA 0.556 45.588 45.100 -0.113 0.000 0.784 246 G HN -0.126 8.064 8.290 -0.097 0.042 0.543 247 G N 0.293 109.067 108.800 -0.044 0.000 2.450 247 G HA2 -0.313 nan 3.960 nan 0.000 0.220 247 G HA3 -0.313 nan 3.960 nan 0.000 0.220 247 G C 0.873 175.746 174.900 -0.045 0.000 1.130 247 G CA 1.822 46.968 45.100 0.075 0.000 0.760 247 G HN 0.301 8.445 8.290 -0.020 0.134 0.557 248 V N 2.771 122.395 119.914 -0.483 0.000 2.255 248 V HA -0.408 nan 4.120 nan 0.000 0.247 248 V C 1.948 177.895 176.094 -0.245 0.000 1.051 248 V CA 3.970 65.881 62.300 -0.649 0.000 1.018 248 V CB -0.637 30.666 31.823 -0.866 0.000 0.641 248 V HN -0.597 7.268 8.190 -0.504 0.023 0.445 249 A N -2.445 120.254 122.820 -0.203 0.000 1.930 249 A HA -0.235 nan 4.320 nan 0.000 0.217 249 A C 2.339 179.918 177.584 -0.008 0.000 1.175 249 A CA 3.327 55.307 52.037 -0.094 0.000 0.627 249 A CB -0.669 18.271 19.000 -0.100 0.000 0.815 249 A HN -0.192 7.816 8.150 -0.237 0.000 0.443 250 T N -3.715 110.842 114.554 0.006 0.000 2.851 250 T HA -0.093 nan 4.350 nan 0.000 0.262 250 T C 2.109 176.868 174.700 0.098 0.000 1.043 250 T CA 3.013 65.142 62.100 0.049 0.000 1.140 250 T CB -0.040 68.858 68.868 0.050 0.000 0.872 250 T HN -0.486 7.741 8.240 -0.022 0.000 0.446 251 G N -0.151 108.733 108.800 0.140 0.000 2.623 251 G HA2 0.055 nan 3.960 nan 0.000 0.214 251 G HA3 0.055 nan 3.960 nan 0.000 0.214 251 G C 0.793 175.826 174.900 0.222 0.000 1.138 251 G CA 1.105 46.334 45.100 0.216 0.000 0.794 251 G HN 0.450 8.694 8.290 0.124 0.120 0.535 252 S N -0.333 115.487 115.700 0.201 0.000 2.665 252 S HA 0.169 nan 4.470 nan 0.000 0.240 252 S C 1.095 175.785 174.600 0.151 0.000 1.081 252 S CA 0.747 59.080 58.200 0.222 0.000 0.887 252 S CB 2.484 65.915 63.200 0.384 0.000 0.805 252 S HN -0.082 8.319 8.310 0.151 0.000 0.486 253 G N 2.223 111.094 108.800 0.117 0.000 2.184 253 G HA2 -0.239 nan 3.960 nan 0.000 0.206 253 G HA3 -0.239 nan 3.960 nan 0.000 0.206 253 G C -1.065 173.891 174.900 0.094 0.000 0.995 253 G CA -0.164 44.989 45.100 0.088 0.000 0.651 253 G HN -0.364 7.987 8.290 0.102 0.000 0.511 254 L N 1.332 122.623 121.223 0.113 0.000 2.331 254 L HA 0.124 nan 4.340 nan 0.000 0.278 254 L C -0.193 176.745 176.870 0.112 0.000 1.106 254 L CA 0.076 55.000 54.840 0.140 0.000 0.824 254 L CB 1.095 43.263 42.059 0.181 0.000 1.142 254 L HN -0.882 7.423 8.230 0.125 0.000 0.443 255 G N 4.388 113.321 108.800 0.222 0.000 2.340 255 G HA2 0.099 nan 3.960 nan 0.000 0.245 255 G HA3 0.099 nan 3.960 nan 0.000 0.245 255 G C -0.475 174.388 174.900 -0.061 0.000 1.294 255 G CA -1.612 43.547 45.100 0.098 0.000 0.896 255 G HN 0.181 8.666 8.290 0.325 0.000 0.522 256 P HA -0.274 nan 4.420 nan 0.000 0.217 256 P C 1.475 178.624 177.300 -0.252 0.000 1.148 256 P CA 2.012 65.001 63.100 -0.184 0.000 0.834 256 P CB 0.206 31.814 31.700 -0.154 0.000 0.783 257 R N -3.359 116.892 120.500 -0.416 0.000 2.323 257 R HA -0.089 nan 4.340 nan 0.000 0.198 257 R C 0.845 176.872 176.300 -0.455 0.000 0.988 257 R CA 1.443 57.270 56.100 -0.455 0.000 1.041 257 R CB -0.678 29.326 30.300 -0.494 0.000 0.926 257 R HN 0.371 8.331 8.270 -0.471 0.028 0.476 258 Y N -3.283 116.985 120.300 -0.054 0.000 2.458 258 Y HA 0.011 nan 4.550 nan 0.000 0.256 258 Y C -0.546 175.322 175.900 -0.053 0.000 1.159 258 Y CA -0.525 57.557 58.100 -0.030 0.000 1.261 258 Y CB 0.037 38.497 38.460 0.001 0.000 1.119 258 Y HN -0.326 7.614 8.280 -0.276 0.174 0.524 259 V N 0.894 120.790 119.914 -0.030 0.000 2.439 259 V HA -0.228 nan 4.120 nan 0.000 0.271 259 V C 0.023 176.092 176.094 -0.042 0.000 1.040 259 V CA 1.275 63.518 62.300 -0.096 0.000 1.002 259 V CB -1.232 30.470 31.823 -0.202 0.000 1.000 259 V HN -0.722 7.368 8.190 -0.098 0.041 0.477 260 D N 7.328 127.735 120.400 0.013 0.000 2.262 260 D HA 0.070 nan 4.640 nan 0.000 0.212 260 D C -0.954 175.373 176.300 0.044 0.000 0.964 260 D CA 2.386 56.408 54.000 0.037 0.000 0.875 260 D CB 1.607 42.453 40.800 0.077 0.000 0.996 260 D HN 0.125 8.515 8.370 0.034 0.000 0.497 261 Y N -1.919 118.315 120.300 -0.110 0.000 2.401 261 Y HA 0.084 nan 4.550 nan 0.000 0.330 261 Y C -2.872 172.941 175.900 -0.145 0.000 1.071 261 Y CA -0.474 57.544 58.100 -0.136 0.000 1.049 261 Y CB 3.206 41.563 38.460 -0.171 0.000 1.239 261 Y HN -0.662 7.664 8.280 0.077 0.000 0.437 262 V N 8.008 127.688 119.914 -0.391 0.000 2.357 262 V HA 0.587 nan 4.120 nan 0.000 0.284 262 V C -2.071 173.856 176.094 -0.279 0.000 1.018 262 V CA -1.303 60.859 62.300 -0.230 0.000 0.841 262 V CB 1.324 33.002 31.823 -0.243 0.000 0.991 262 V HN 0.312 8.108 8.190 -0.658 0.000 0.437 263 L N 9.054 130.275 121.223 -0.004 0.000 2.307 263 L HA 0.897 nan 4.340 nan 0.000 0.284 263 L C -1.697 175.186 176.870 0.021 0.000 1.023 263 L CA -2.039 52.843 54.840 0.071 0.000 0.810 263 L CB 3.158 45.372 42.059 0.258 0.000 1.231 263 L HN 1.028 9.190 8.230 0.071 0.111 0.423 264 G N 5.200 113.999 108.800 -0.001 0.000 2.379 264 G HA2 0.581 nan 3.960 nan 0.000 0.327 264 G HA3 0.581 nan 3.960 nan 0.000 0.327 264 G C -1.789 173.242 174.900 0.218 0.000 1.145 264 G CA -1.554 43.596 45.100 0.082 0.000 0.905 264 G HN 0.796 9.047 8.290 -0.066 0.000 0.466 265 I N 3.761 124.415 120.570 0.140 0.000 2.428 265 I HA 0.495 nan 4.170 nan 0.000 0.289 265 I C -1.536 174.631 176.117 0.083 0.000 1.019 265 I CA -1.886 59.474 61.300 0.100 0.000 1.351 265 I CB 0.145 38.165 38.000 0.034 0.000 1.412 265 I HN 0.738 9.006 8.210 0.097 0.000 0.513 266 L N 7.979 129.214 121.223 0.021 0.000 2.376 266 L HA 0.400 nan 4.340 nan 0.000 0.275 266 L C -1.478 175.345 176.870 -0.079 0.000 0.987 266 L CA -1.171 53.609 54.840 -0.098 0.000 0.828 266 L CB 2.942 44.794 42.059 -0.346 0.000 1.249 266 L HN 0.329 8.577 8.230 0.031 0.000 0.409 267 K N 8.691 129.039 120.400 -0.087 0.000 2.525 267 K HA -0.190 nan 4.320 nan 0.000 0.192 267 K C 0.492 177.053 176.600 -0.064 0.000 1.029 267 K CA 1.439 57.648 56.287 -0.129 0.000 1.029 267 K CB 0.113 32.445 32.500 -0.281 0.000 0.814 267 K HN 0.134 8.607 8.250 -0.086 -0.274 0.503 268 A N -4.686 118.174 122.820 0.067 0.000 4.109 268 A HA -0.344 nan 4.320 nan 0.000 0.250 268 A C -1.051 176.824 177.584 0.485 0.000 0.772 268 A CA 1.813 54.037 52.037 0.311 0.000 1.320 268 A CB -1.429 17.821 19.000 0.417 0.000 1.076 268 A HN 0.475 8.579 8.150 0.002 0.048 0.723 269 Y N -6.426 114.017 120.300 0.239 0.000 2.818 269 Y HA 0.742 nan 4.550 nan 0.000 0.322 269 Y C -1.888 174.148 175.900 0.227 0.000 1.323 269 Y CA -3.201 55.050 58.100 0.252 0.000 1.090 269 Y CB 1.731 40.291 38.460 0.166 0.000 1.328 269 Y HN -0.673 7.457 8.280 -0.064 0.111 0.482 270 S N 0.483 116.432 115.700 0.415 0.000 2.513 270 S HA 0.396 nan 4.470 nan 0.000 0.299 270 S C -1.520 173.264 174.600 0.307 0.000 1.087 270 S CA -1.044 57.360 58.200 0.340 0.000 1.012 270 S CB 2.586 66.135 63.200 0.581 0.000 1.044 270 S HN 0.613 9.236 8.310 0.521 0.000 0.485 271 T N -1.034 113.585 114.554 0.109 0.000 2.906 271 T HA 0.459 nan 4.350 nan 0.000 0.295 271 T C -2.323 172.268 174.700 -0.181 0.000 1.061 271 T CA -2.101 60.012 62.100 0.022 0.000 1.000 271 T CB 2.950 71.816 68.868 -0.003 0.000 1.103 271 T HN 0.298 8.591 8.240 0.088 0.000 0.486 272 R N 0.171 120.496 120.500 -0.291 0.000 2.584 272 R HA 0.517 nan 4.340 nan 0.000 0.276 272 R C -2.855 173.310 176.300 -0.225 0.000 1.046 272 R CA -0.071 55.762 56.100 -0.445 0.000 0.906 272 R CB 4.183 33.824 30.300 -1.100 0.000 1.215 272 R HN 0.064 8.245 8.270 -0.148 0.000 0.449 273 V N 3.384 123.212 119.914 -0.144 0.000 2.769 273 V HA 0.472 nan 4.120 nan 0.000 0.312 273 V C -1.237 174.810 176.094 -0.079 0.000 1.061 273 V CA -1.425 60.828 62.300 -0.078 0.000 0.931 273 V CB 2.497 34.307 31.823 -0.021 0.000 1.010 273 V HN 0.642 8.759 8.190 -0.123 0.000 0.433 274 G N 6.554 115.320 108.800 -0.057 0.000 2.710 274 G HA2 -0.321 nan 3.960 nan 0.000 0.668 274 G HA3 -0.321 nan 3.960 nan 0.000 0.668 274 G C -2.078 172.773 174.900 -0.081 0.000 1.320 274 G CA -0.473 44.604 45.100 -0.038 0.000 0.860 274 G HN 0.034 8.296 8.290 -0.047 0.000 0.538 275 A N -1.104 121.683 122.820 -0.056 0.000 2.269 275 A HA 0.602 nan 4.320 nan 0.000 0.319 275 A C -1.263 176.105 177.584 -0.360 0.000 1.110 275 A CA -0.936 50.994 52.037 -0.179 0.000 0.847 275 A CB 1.345 20.256 19.000 -0.147 0.000 1.161 275 A HN 0.264 8.327 8.150 0.027 0.102 0.497 276 G N -2.646 105.798 108.800 -0.595 0.000 2.340 276 G HA2 -0.087 nan 3.960 nan 0.000 0.527 276 G HA3 -0.087 nan 3.960 nan 0.000 0.527 276 G C -3.405 171.247 174.900 -0.414 0.000 1.381 276 G CA -0.850 43.851 45.100 -0.664 0.000 1.001 276 G HN -0.409 7.589 8.290 -0.488 0.000 0.626 277 P HA 0.064 nan 4.420 nan 0.000 0.265 277 P C -1.664 175.466 177.300 -0.283 0.000 1.187 277 P CA 0.571 63.513 63.100 -0.263 0.000 0.766 277 P CB 0.395 31.833 31.700 -0.436 0.000 0.820 278 F N 2.520 122.287 119.950 -0.305 0.000 3.256 278 F HA 0.203 nan 4.527 nan 0.000 0.406 278 F C -2.445 173.308 175.800 -0.079 0.000 1.157 278 F CA -3.575 54.218 58.000 -0.345 0.000 1.278 278 F CB -0.042 38.653 39.000 -0.508 0.000 2.424 278 F HN 0.089 8.422 8.300 0.055 0.000 0.675 279 P HA -0.210 nan 4.420 nan 0.000 0.214 279 P C -0.310 177.005 177.300 0.025 0.000 1.169 279 P CA 2.526 65.697 63.100 0.118 0.000 0.908 279 P CB 0.101 31.819 31.700 0.030 0.000 0.791 280 T N -7.917 106.708 114.554 0.118 0.000 3.439 280 T HA 0.009 nan 4.350 nan 0.000 0.251 280 T C -0.344 174.202 174.700 -0.256 0.000 1.108 280 T CA -1.206 61.003 62.100 0.181 0.000 0.982 280 T CB -1.107 68.059 68.868 0.496 0.000 1.024 280 T HN 0.177 8.620 8.240 0.339 0.000 0.573 281 E N 1.797 121.474 120.200 -0.871 0.000 2.480 281 E HA -0.183 nan 4.350 nan 0.000 0.258 281 E C -0.812 175.348 176.600 -0.733 0.000 0.984 281 E CA 0.331 55.950 56.400 -1.301 0.000 0.930 281 E CB 0.458 29.357 29.700 -1.335 0.000 0.936 281 E HN -0.605 7.212 8.360 -0.737 0.100 0.466 282 L N 6.910 127.722 121.223 -0.685 0.000 2.259 282 L HA 0.056 nan 4.340 nan 0.000 0.288 282 L C -0.483 176.131 176.870 -0.427 0.000 1.051 282 L CA -0.802 53.760 54.840 -0.464 0.000 0.824 282 L CB -0.124 41.620 42.059 -0.525 0.000 1.206 282 L HN 0.495 8.184 8.230 -0.706 0.117 0.429 283 F N 1.852 121.706 119.950 -0.160 0.000 2.743 283 F HA -0.077 nan 4.527 nan 0.000 0.297 283 F C 0.551 176.295 175.800 -0.095 0.000 1.131 283 F CA 0.805 58.735 58.000 -0.117 0.000 1.426 283 F CB 0.259 39.205 39.000 -0.091 0.000 1.116 283 F HN 0.265 8.652 8.300 0.145 0.000 0.583 284 D N 0.306 120.745 120.400 0.064 0.000 2.469 284 D HA 0.021 nan 4.640 nan 0.000 0.278 284 D C 1.416 177.695 176.300 -0.034 0.000 1.231 284 D CA -1.052 52.959 54.000 0.018 0.000 1.075 284 D CB 0.317 41.125 40.800 0.014 0.000 1.121 284 D HN -0.366 7.969 8.370 0.027 0.051 0.571 285 E N -1.626 118.554 120.200 -0.033 0.000 2.049 285 E HA -0.372 nan 4.350 nan 0.000 0.198 285 E C 2.056 178.615 176.600 -0.069 0.000 1.007 285 E CA 4.204 60.580 56.400 -0.041 0.000 0.809 285 E CB -0.661 29.013 29.700 -0.044 0.000 0.749 285 E HN 0.395 8.743 8.360 -0.020 0.000 0.450 286 T N 2.170 116.658 114.554 -0.110 0.000 2.778 286 T HA -0.236 nan 4.350 nan 0.000 0.269 286 T C 1.819 176.383 174.700 -0.225 0.000 1.050 286 T CA 3.517 65.512 62.100 -0.176 0.000 1.137 286 T CB -0.862 67.881 68.868 -0.208 0.000 0.860 286 T HN 0.095 8.362 8.240 -0.089 -0.080 0.468 287 G N 1.079 109.743 108.800 -0.226 0.000 2.433 287 G HA2 -0.366 nan 3.960 nan 0.000 0.216 287 G HA3 -0.366 nan 3.960 nan 0.000 0.216 287 G C 0.152 174.958 174.900 -0.157 0.000 1.186 287 G CA 1.906 46.858 45.100 -0.246 0.000 0.779 287 G HN -0.142 8.156 8.290 -0.187 -0.121 0.543 288 E N 2.691 122.839 120.200 -0.088 0.000 2.130 288 E HA -0.406 nan 4.350 nan 0.000 0.196 288 E C 1.852 178.446 176.600 -0.010 0.000 0.998 288 E CA 2.614 58.987 56.400 -0.045 0.000 0.806 288 E CB -0.158 29.539 29.700 -0.006 0.000 0.738 288 E HN -0.708 7.535 8.360 -0.082 0.068 0.459 289 F N 0.316 120.166 119.950 -0.168 0.000 2.014 289 F HA -0.363 nan 4.527 nan 0.000 0.295 289 F C 1.562 177.230 175.800 -0.220 0.000 1.145 289 F CA 3.805 61.703 58.000 -0.170 0.000 1.178 289 F CB 0.118 39.011 39.000 -0.178 0.000 0.972 289 F HN -0.398 7.956 8.300 0.106 0.010 0.476 290 L N -1.859 119.301 121.223 -0.105 0.000 2.064 290 L HA -0.624 nan 4.340 nan 0.000 0.216 290 L C 2.533 179.213 176.870 -0.317 0.000 1.077 290 L CA 3.368 57.968 54.840 -0.400 0.000 0.766 290 L CB -0.653 41.080 42.059 -0.544 0.000 0.890 290 L HN -0.403 7.812 8.230 -0.026 0.000 0.435 291 C N -1.551 117.620 119.300 -0.215 0.000 2.466 291 C HA -0.397 nan 4.460 nan 0.000 0.278 291 C C 1.964 176.833 174.990 -0.202 0.000 1.288 291 C CA 3.646 62.542 59.018 -0.202 0.000 1.722 291 C CB -1.785 25.818 27.740 -0.229 0.000 2.017 291 C HN 0.307 8.422 8.230 -0.195 -0.002 0.488 292 K N -0.083 120.207 120.400 -0.183 0.000 1.973 292 K HA -0.405 nan 4.320 nan 0.000 0.212 292 K C 2.677 179.166 176.600 -0.185 0.000 1.047 292 K CA 3.703 59.903 56.287 -0.145 0.000 0.937 292 K CB -0.247 32.160 32.500 -0.155 0.000 0.721 292 K HN 0.277 8.238 8.250 -0.173 0.185 0.440 293 Q N -1.464 118.118 119.800 -0.364 0.000 2.061 293 Q HA -0.217 nan 4.340 nan 0.000 0.204 293 Q C 1.821 177.719 176.000 -0.170 0.000 0.984 293 Q CA 2.330 57.908 55.803 -0.375 0.000 0.846 293 Q CB -0.091 28.228 28.738 -0.698 0.000 0.902 293 Q HN 0.274 8.147 8.270 -0.487 0.105 0.421 294 G N -2.634 106.089 108.800 -0.129 0.000 3.279 294 G HA2 0.020 nan 3.960 nan 0.000 0.230 294 G HA3 0.020 nan 3.960 nan 0.000 0.230 294 G C -0.813 174.135 174.900 0.081 0.000 1.230 294 G CA -0.800 44.336 45.100 0.059 0.000 0.891 294 G HN -0.442 7.616 8.290 -0.209 0.105 0.518 295 N N -0.794 117.928 118.700 0.037 0.000 2.702 295 N HA -0.504 nan 4.740 nan 0.000 0.261 295 N C -0.703 174.871 175.510 0.108 0.000 0.965 295 N CA 1.290 54.406 53.050 0.111 0.000 0.795 295 N CB -0.097 38.470 38.487 0.133 0.000 0.909 295 N HN -0.526 7.661 8.380 -0.011 0.186 0.546 296 E N -1.009 119.151 120.200 -0.067 0.000 1.932 296 E HA 0.030 nan 4.350 nan 0.000 0.275 296 E C -1.372 174.982 176.600 -0.409 0.000 1.159 296 E CA -0.639 55.674 56.400 -0.144 0.000 0.905 296 E CB -0.968 28.653 29.700 -0.133 0.000 1.059 296 E HN -0.515 7.772 8.360 -0.131 -0.005 0.400 297 F N 3.402 123.376 119.950 0.040 0.000 2.591 297 F HA 0.136 nan 4.527 nan 0.000 0.309 297 F C -0.259 175.563 175.800 0.038 0.000 1.098 297 F CA -0.881 57.137 58.000 0.030 0.000 0.937 297 F CB 4.333 43.347 39.000 0.024 0.000 1.250 297 F HN -0.480 7.924 8.300 0.172 0.000 0.447 298 G N -0.262 108.671 108.800 0.221 0.000 2.568 298 G HA2 -0.218 nan 3.960 nan 0.000 0.231 298 G HA3 -0.218 nan 3.960 nan 0.000 0.231 298 G C -1.108 173.883 174.900 0.153 0.000 1.261 298 G CA 0.252 45.438 45.100 0.142 0.000 0.855 298 G HN 0.771 9.073 8.290 0.237 0.130 0.576 299 A N 1.711 124.618 122.820 0.146 0.000 2.267 299 A HA 0.045 nan 4.320 nan 0.000 0.213 299 A C 0.545 178.260 177.584 0.219 0.000 1.192 299 A CA 1.717 53.863 52.037 0.182 0.000 0.851 299 A CB 0.641 19.760 19.000 0.199 0.000 0.881 299 A HN 0.692 8.922 8.150 0.132 0.000 0.494 300 T N -1.169 113.449 114.554 0.106 0.000 2.989 300 T HA 0.132 nan 4.350 nan 0.000 0.250 300 T C 1.164 175.842 174.700 -0.036 0.000 0.981 300 T CA 2.365 64.442 62.100 -0.038 0.000 0.980 300 T CB 0.290 69.081 68.868 -0.128 0.000 1.133 300 T HN 0.264 8.519 8.240 0.090 0.039 0.489 301 T N 0.699 115.259 114.554 0.011 0.000 3.010 301 T HA 0.232 nan 4.350 nan 0.000 0.257 301 T C 0.631 175.355 174.700 0.040 0.000 1.020 301 T CA -0.120 61.987 62.100 0.012 0.000 0.938 301 T CB 0.178 69.051 68.868 0.009 0.000 1.049 301 T HN 0.024 8.285 8.240 0.034 0.000 0.522 302 G N 0.943 109.785 108.800 0.071 0.000 2.180 302 G HA2 -0.253 nan 3.960 nan 0.000 0.263 302 G HA3 -0.253 nan 3.960 nan 0.000 0.263 302 G C -0.959 174.028 174.900 0.144 0.000 0.989 302 G CA 0.358 45.508 45.100 0.083 0.000 0.692 302 G HN -0.158 8.181 8.290 0.082 0.000 0.526 303 R N -1.402 119.185 120.500 0.145 0.000 2.490 303 R HA -0.022 nan 4.340 nan 0.000 0.280 303 R C -0.443 175.997 176.300 0.233 0.000 1.077 303 R CA -0.789 55.403 56.100 0.154 0.000 1.065 303 R CB 0.823 31.169 30.300 0.076 0.000 1.003 303 R HN -0.343 7.947 8.270 0.110 0.046 0.470 304 R N 2.702 123.348 120.500 0.244 0.000 2.643 304 R HA -0.043 nan 4.340 nan 0.000 0.270 304 R C -0.460 175.796 176.300 -0.073 0.000 1.061 304 R CA 0.551 56.668 56.100 0.028 0.000 1.107 304 R CB 0.531 30.835 30.300 0.007 0.000 0.999 304 R HN 0.325 8.729 8.270 0.223 0.000 0.460 305 R N 5.210 125.604 120.500 -0.176 0.000 2.540 305 R HA 0.182 nan 4.340 nan 0.000 0.287 305 R C -0.039 176.195 176.300 -0.110 0.000 0.980 305 R CA -0.773 55.262 56.100 -0.108 0.000 0.966 305 R CB 1.485 31.735 30.300 -0.084 0.000 1.106 305 R HN -0.275 7.791 8.270 -0.338 0.000 0.480 306 R N 1.759 122.217 120.500 -0.069 0.000 2.539 306 R HA 0.097 nan 4.340 nan 0.000 0.275 306 R C -0.430 175.911 176.300 0.068 0.000 1.077 306 R CA 0.751 56.829 56.100 -0.038 0.000 1.097 306 R CB 0.958 31.270 30.300 0.022 0.000 1.018 306 R HN 0.627 8.752 8.270 -0.076 0.100 0.483 307 T N -3.594 110.955 114.554 -0.010 0.000 2.924 307 T HA 0.726 nan 4.350 nan 0.000 0.291 307 T C -1.138 173.498 174.700 -0.108 0.000 1.045 307 T CA -2.704 59.432 62.100 0.061 0.000 1.015 307 T CB 3.689 72.538 68.868 -0.032 0.000 1.103 307 T HN 0.054 8.204 8.240 -0.151 0.000 0.496 308 G N 0.007 108.793 108.800 -0.022 0.000 2.548 308 G HA2 0.598 nan 3.960 nan 0.000 0.301 308 G HA3 0.598 nan 3.960 nan 0.000 0.301 308 G C -2.600 172.271 174.900 -0.049 0.000 1.349 308 G CA 0.514 45.449 45.100 -0.275 0.000 0.792 308 G HN 0.064 8.477 8.290 0.204 0.000 0.481 309 W N -2.241 119.191 121.300 0.219 0.000 2.161 309 W HA 0.268 nan 4.660 nan 0.000 0.344 309 W C -0.024 176.727 176.519 0.388 0.000 1.262 309 W CA -0.577 56.943 57.345 0.291 0.000 1.270 309 W CB 1.134 30.770 29.460 0.294 0.000 1.126 309 W HN 0.254 8.468 8.180 0.056 0.000 0.598 310 L N 1.301 122.924 121.223 0.668 0.000 2.499 310 L HA -0.134 nan 4.340 nan 0.000 0.273 310 L C -1.662 175.474 176.870 0.443 0.000 1.195 310 L CA 0.986 56.112 54.840 0.477 0.000 0.882 310 L CB 0.527 42.820 42.059 0.390 0.000 1.133 310 L HN 0.557 9.241 8.230 0.757 0.000 0.483 311 D N 7.054 127.690 120.400 0.393 0.000 2.454 311 D HA 0.234 nan 4.640 nan 0.000 0.225 311 D C 0.155 176.587 176.300 0.219 0.000 1.081 311 D CA -1.040 53.182 54.000 0.371 0.000 0.864 311 D CB 1.587 42.695 40.800 0.512 0.000 1.040 311 D HN 0.038 8.637 8.370 0.381 0.000 0.517 312 T N 7.097 121.744 114.554 0.156 0.000 2.881 312 T HA -0.195 nan 4.350 nan 0.000 0.270 312 T C 1.787 176.496 174.700 0.015 0.000 1.068 312 T CA 3.913 66.053 62.100 0.066 0.000 1.131 312 T CB -0.043 68.856 68.868 0.051 0.000 0.871 312 T HN 0.235 8.586 8.240 0.186 0.000 0.479 313 V N 0.598 120.492 119.914 -0.034 0.000 2.407 313 V HA -0.274 nan 4.120 nan 0.000 0.245 313 V C 1.392 177.438 176.094 -0.080 0.000 1.041 313 V CA 4.066 66.255 62.300 -0.186 0.000 1.040 313 V CB -0.999 30.447 31.823 -0.628 0.000 0.671 313 V HN 0.055 8.448 8.190 0.021 -0.191 0.455 314 A N -0.615 122.244 122.820 0.065 0.000 1.858 314 A HA -0.287 nan 4.320 nan 0.000 0.216 314 A C 2.468 180.059 177.584 0.013 0.000 1.190 314 A CA 3.346 55.451 52.037 0.113 0.000 0.617 314 A CB -0.735 18.354 19.000 0.148 0.000 0.827 314 A HN -0.398 8.156 8.150 0.142 -0.318 0.443 315 V N -0.508 119.417 119.914 0.020 0.000 2.332 315 V HA -0.501 nan 4.120 nan 0.000 0.248 315 V C 2.064 178.196 176.094 0.064 0.000 1.055 315 V CA 4.140 66.466 62.300 0.043 0.000 1.038 315 V CB -1.220 30.631 31.823 0.047 0.000 0.651 315 V HN -0.302 7.916 8.190 0.047 0.000 0.450 316 R N -1.826 118.693 120.500 0.031 0.000 2.170 316 R HA -0.401 nan 4.340 nan 0.000 0.242 316 R C 2.246 178.536 176.300 -0.017 0.000 1.145 316 R CA 3.586 59.691 56.100 0.008 0.000 0.984 316 R CB -0.352 29.933 30.300 -0.026 0.000 0.869 316 R HN 0.165 8.331 8.270 0.017 0.115 0.455 317 R N -0.753 119.736 120.500 -0.019 0.000 2.066 317 R HA -0.241 nan 4.340 nan 0.000 0.232 317 R C 1.607 177.880 176.300 -0.046 0.000 1.131 317 R CA 3.112 59.197 56.100 -0.025 0.000 0.955 317 R CB -0.645 29.660 30.300 0.008 0.000 0.851 317 R HN 0.036 8.164 8.270 -0.012 0.134 0.432 318 A N -2.420 120.377 122.820 -0.039 0.000 1.969 318 A HA -0.096 nan 4.320 nan 0.000 0.218 318 A C 2.601 180.135 177.584 -0.083 0.000 1.169 318 A CA 2.737 54.739 52.037 -0.058 0.000 0.635 318 A CB -1.053 17.924 19.000 -0.038 0.000 0.810 318 A HN -0.566 7.489 8.150 -0.022 0.082 0.445 319 V N 0.172 120.042 119.914 -0.072 0.000 2.287 319 V HA -0.560 nan 4.120 nan 0.000 0.248 319 V C 1.941 177.945 176.094 -0.151 0.000 1.053 319 V CA 4.598 66.809 62.300 -0.149 0.000 1.027 319 V CB -1.048 30.706 31.823 -0.116 0.000 0.646 319 V HN 0.045 8.224 8.190 -0.018 0.000 0.447 320 Q N -0.466 119.265 119.800 -0.115 0.000 1.993 320 Q HA -0.314 nan 4.340 nan 0.000 0.202 320 Q C 2.201 178.117 176.000 -0.139 0.000 0.984 320 Q CA 3.006 58.741 55.803 -0.114 0.000 0.837 320 Q CB 0.040 28.726 28.738 -0.088 0.000 0.902 320 Q HN -0.715 7.502 8.270 -0.090 -0.000 0.423 321 L N -2.622 118.507 121.223 -0.157 0.000 2.156 321 L HA -0.206 nan 4.340 nan 0.000 0.208 321 L C 1.855 178.608 176.870 -0.194 0.000 1.095 321 L CA 1.950 56.659 54.840 -0.218 0.000 0.770 321 L CB 0.196 42.081 42.059 -0.290 0.000 0.914 321 L HN -0.235 7.914 8.230 -0.135 0.000 0.439 322 N N -2.837 115.762 118.700 -0.168 0.000 2.422 322 N HA 0.006 nan 4.740 nan 0.000 0.181 322 N C -0.063 175.333 175.510 -0.189 0.000 1.080 322 N CA 0.469 53.419 53.050 -0.167 0.000 0.893 322 N CB 0.386 38.786 38.487 -0.145 0.000 0.973 322 N HN -0.374 7.903 8.380 -0.155 0.010 0.456 323 S N -2.896 112.690 115.700 -0.191 0.000 3.559 323 S HA -0.423 nan 4.470 nan 0.000 0.369 323 S C -0.149 174.295 174.600 -0.260 0.000 0.987 323 S CA 0.715 58.792 58.200 -0.204 0.000 1.187 323 S CB -2.320 60.770 63.200 -0.183 0.000 0.914 323 S HN -0.260 7.944 8.310 -0.177 0.000 0.480 324 L N -1.514 119.531 121.223 -0.296 0.000 2.490 324 L HA -0.173 nan 4.340 nan 0.000 0.274 324 L C 0.966 177.570 176.870 -0.443 0.000 1.201 324 L CA 1.105 55.711 54.840 -0.389 0.000 0.869 324 L CB 0.435 42.202 42.059 -0.486 0.000 1.123 324 L HN -0.633 7.439 8.230 -0.270 -0.004 0.484 325 S N 2.832 118.173 115.700 -0.597 0.000 2.456 325 S HA 0.127 nan 4.470 nan 0.000 0.224 325 S C -0.102 174.158 174.600 -0.566 0.000 1.035 325 S CA 1.003 58.794 58.200 -0.683 0.000 0.940 325 S CB 1.142 63.593 63.200 -1.248 0.000 0.799 325 S HN 0.768 8.567 8.310 -0.668 0.110 0.508 326 G N -1.108 107.367 108.800 -0.542 0.000 2.601 326 G HA2 0.221 nan 3.960 nan 0.000 0.291 326 G HA3 0.221 nan 3.960 nan 0.000 0.291 326 G C -3.097 171.686 174.900 -0.195 0.000 1.456 326 G CA 0.750 45.712 45.100 -0.231 0.000 0.804 326 G HN -0.791 7.130 8.290 -0.616 0.000 0.499 327 F N -0.902 119.055 119.950 0.012 0.000 2.509 327 F HA 0.934 nan 4.527 nan 0.000 0.334 327 F C -1.544 174.272 175.800 0.027 0.000 1.060 327 F CA -2.466 55.538 58.000 0.006 0.000 0.997 327 F CB 4.401 43.395 39.000 -0.012 0.000 1.271 327 F HN -0.016 8.353 8.300 0.114 0.000 0.488 328 C N 2.358 121.829 119.300 0.285 0.000 2.547 328 C HA 0.550 nan 4.460 nan 0.000 0.327 328 C C -1.696 173.342 174.990 0.080 0.000 1.076 328 C CA -1.718 57.384 59.018 0.140 0.000 1.390 328 C CB 0.485 28.284 27.740 0.098 0.000 1.918 328 C HN 0.504 8.941 8.230 0.346 0.000 0.438 329 L N 10.580 131.831 121.223 0.047 0.000 2.418 329 L HA 0.440 nan 4.340 nan 0.000 0.274 329 L C -1.668 175.225 176.870 0.037 0.000 1.135 329 L CA 0.232 55.077 54.840 0.008 0.000 0.870 329 L CB 1.591 43.650 42.059 0.001 0.000 1.154 329 L HN 0.751 9.018 8.230 0.061 0.000 0.462 330 T N 2.724 117.298 114.554 0.033 0.000 2.940 330 T HA 0.495 nan 4.350 nan 0.000 0.288 330 T C -0.457 174.301 174.700 0.098 0.000 1.033 330 T CA -1.578 60.550 62.100 0.048 0.000 1.033 330 T CB 2.074 70.952 68.868 0.017 0.000 1.079 330 T HN 0.988 9.117 8.240 0.009 0.116 0.496 331 K N -1.775 118.703 120.400 0.129 0.000 3.209 331 K HA -0.430 nan 4.320 nan 0.000 0.289 331 K C 1.527 178.318 176.600 0.318 0.000 1.191 331 K CA 1.473 57.897 56.287 0.227 0.000 0.851 331 K CB -1.397 31.259 32.500 0.261 0.000 1.242 331 K HN 0.281 8.590 8.250 0.098 0.000 0.480 332 L N -0.650 120.738 121.223 0.275 0.000 2.012 332 L HA -0.389 nan 4.340 nan 0.000 0.210 332 L C 0.307 177.398 176.870 0.368 0.000 1.073 332 L CA 3.615 58.667 54.840 0.352 0.000 0.748 332 L CB -0.299 41.919 42.059 0.266 0.000 0.891 332 L HN -0.553 7.761 8.230 0.204 0.038 0.431 333 D N -1.387 119.184 120.400 0.286 0.000 2.203 333 D HA -0.395 nan 4.640 nan 0.000 0.199 333 D C 2.135 178.609 176.300 0.290 0.000 0.997 333 D CA 3.173 57.356 54.000 0.306 0.000 0.863 333 D CB -0.828 40.149 40.800 0.295 0.000 0.928 333 D HN 0.250 8.758 8.370 0.222 -0.004 0.458 334 V N -1.204 118.865 119.914 0.259 0.000 3.186 334 V HA -0.236 nan 4.120 nan 0.000 0.270 334 V C 0.652 176.798 176.094 0.086 0.000 1.149 334 V CA 1.638 64.025 62.300 0.146 0.000 1.160 334 V CB -0.888 31.041 31.823 0.177 0.000 0.758 334 V HN -0.483 7.731 8.190 0.291 0.150 0.516 335 L N -4.661 116.673 121.223 0.184 0.000 2.640 335 L HA 0.164 nan 4.340 nan 0.000 0.230 335 L C -0.381 176.467 176.870 -0.037 0.000 1.123 335 L CA -0.577 54.301 54.840 0.063 0.000 0.900 335 L CB 0.154 42.231 42.059 0.031 0.000 1.146 335 L HN 0.098 8.316 8.230 0.299 0.192 0.484 336 D N 0.006 120.517 120.400 0.186 0.000 2.423 336 D HA -0.168 nan 4.640 nan 0.000 0.238 336 D C 1.324 177.653 176.300 0.047 0.000 1.142 336 D CA 2.213 56.310 54.000 0.163 0.000 0.884 336 D CB -0.022 40.961 40.800 0.305 0.000 1.199 336 D HN -0.355 8.021 8.370 0.266 0.154 0.438 337 G N 1.007 109.779 108.800 -0.046 0.000 2.143 337 G HA2 -0.547 nan 3.960 nan 0.000 0.248 337 G HA3 -0.547 nan 3.960 nan 0.000 0.248 337 G C -1.073 173.709 174.900 -0.196 0.000 0.991 337 G CA 0.376 45.445 45.100 -0.051 0.000 0.689 337 G HN 0.590 8.735 8.290 -0.078 0.099 0.522 338 L N -0.994 120.038 121.223 -0.319 0.000 2.360 338 L HA 0.123 nan 4.340 nan 0.000 0.271 338 L C 0.093 176.780 176.870 -0.306 0.000 1.057 338 L CA -1.107 53.519 54.840 -0.356 0.000 0.803 338 L CB 0.845 42.693 42.059 -0.352 0.000 1.207 338 L HN -0.888 7.090 8.230 -0.419 0.000 0.445 339 K N 0.173 120.428 120.400 -0.241 0.000 2.062 339 K HA -0.237 nan 4.320 nan 0.000 0.205 339 K C -0.334 176.150 176.600 -0.194 0.000 1.051 339 K CA 1.982 58.160 56.287 -0.181 0.000 0.941 339 K CB 0.408 32.823 32.500 -0.141 0.000 0.719 339 K HN 0.400 8.503 8.250 -0.244 0.000 0.440 340 E N -5.362 114.702 120.200 -0.227 0.000 2.407 340 E HA 0.408 nan 4.350 nan 0.000 0.279 340 E C -1.716 174.690 176.600 -0.323 0.000 1.012 340 E CA -1.498 54.752 56.400 -0.250 0.000 0.800 340 E CB 3.097 32.682 29.700 -0.191 0.000 1.276 340 E HN -0.706 7.524 8.360 -0.216 0.000 0.452 341 V N -5.228 114.458 119.914 -0.381 0.000 2.994 341 V HA 0.585 nan 4.120 nan 0.000 0.318 341 V C -1.923 173.826 176.094 -0.575 0.000 1.085 341 V CA -2.882 59.123 62.300 -0.493 0.000 0.998 341 V CB 2.855 34.397 31.823 -0.469 0.000 1.063 341 V HN 1.201 9.089 8.190 -0.305 0.119 0.447 342 K N -0.439 119.431 120.400 -0.883 0.000 2.508 342 K HA 0.933 nan 4.320 nan 0.000 0.260 342 K C -1.692 174.738 176.600 -0.282 0.000 0.949 342 K CA -0.749 55.098 56.287 -0.733 0.000 0.834 342 K CB 3.536 35.211 32.500 -1.375 0.000 1.365 342 K HN -0.068 7.532 8.250 -1.084 0.000 0.437 343 L N -5.386 115.861 121.223 0.041 0.000 2.431 343 L HA 0.721 nan 4.340 nan 0.000 0.266 343 L C -0.775 176.293 176.870 0.331 0.000 0.978 343 L CA -2.208 52.792 54.840 0.267 0.000 0.822 343 L CB 2.908 45.111 42.059 0.240 0.000 1.310 343 L HN 0.199 8.437 8.230 0.014 0.000 0.409 344 C N 4.187 123.717 119.300 0.384 0.000 2.651 344 C HA 0.013 nan 4.460 nan 0.000 0.410 344 C C 1.024 176.099 174.990 0.140 0.000 1.372 344 C CA 1.169 60.310 59.018 0.204 0.000 1.707 344 C CB -1.138 26.740 27.740 0.231 0.000 2.501 344 C HN 0.405 8.900 8.230 0.442 0.000 0.598 345 V N 2.785 122.751 119.914 0.088 0.000 3.635 345 V HA 0.467 nan 4.120 nan 0.000 0.266 345 V C -1.499 174.597 176.094 0.004 0.000 1.316 345 V CA -0.366 61.961 62.300 0.046 0.000 1.060 345 V CB 1.254 33.106 31.823 0.049 0.000 0.820 345 V HN 0.347 8.583 8.190 0.076 0.000 0.447 346 A N -1.233 121.601 122.820 0.024 0.000 2.610 346 A HA 0.638 nan 4.320 nan 0.000 0.291 346 A C -3.116 174.560 177.584 0.153 0.000 1.086 346 A CA 0.173 52.211 52.037 0.002 0.000 0.677 346 A CB 2.442 21.448 19.000 0.009 0.000 1.278 346 A HN -0.737 7.447 8.150 0.057 0.000 0.414 347 Y N -2.014 118.259 120.300 -0.044 0.000 2.377 347 Y HA 0.753 nan 4.550 nan 0.000 0.339 347 Y C -1.605 174.267 175.900 -0.046 0.000 1.011 347 Y CA -3.264 54.804 58.100 -0.054 0.000 1.093 347 Y CB 3.413 41.825 38.460 -0.080 0.000 1.201 347 Y HN 1.059 9.239 8.280 0.042 0.125 0.455 348 R N 3.902 124.466 120.500 0.107 0.000 2.229 348 R HA 0.558 nan 4.340 nan 0.000 0.332 348 R C -1.296 175.018 176.300 0.023 0.000 0.989 348 R CA -1.989 54.138 56.100 0.045 0.000 0.842 348 R CB 0.717 31.030 30.300 0.022 0.000 1.119 348 R HN 0.814 9.127 8.270 0.071 0.000 0.456 349 M N 6.999 126.613 119.600 0.024 0.000 2.163 349 M HA 0.309 nan 4.480 nan 0.000 0.305 349 M C -0.496 175.807 176.300 0.004 0.000 1.166 349 M CA -2.247 53.058 55.300 0.008 0.000 1.132 349 M CB -1.453 31.151 32.600 0.008 0.000 1.413 349 M HN 0.811 9.003 8.290 0.029 0.116 0.478 350 P HA -0.156 nan 4.420 nan 0.000 0.225 350 P C -1.397 175.909 177.300 0.009 0.000 1.148 350 P CA 1.908 65.012 63.100 0.007 0.000 0.779 350 P CB -0.164 31.544 31.700 0.013 0.000 0.780 351 D N -5.658 114.747 120.400 0.008 0.000 2.424 351 D HA 0.022 nan 4.640 nan 0.000 0.220 351 D C 1.076 177.380 176.300 0.007 0.000 1.150 351 D CA -1.749 52.256 54.000 0.008 0.000 0.831 351 D CB -1.376 39.429 40.800 0.007 0.000 0.981 351 D HN -0.477 7.845 8.370 0.007 0.053 0.500 352 G N 0.588 109.393 108.800 0.008 0.000 2.217 352 G HA2 -0.426 nan 3.960 nan 0.000 0.246 352 G HA3 -0.426 nan 3.960 nan 0.000 0.246 352 G C -0.334 174.572 174.900 0.010 0.000 0.990 352 G CA 0.087 45.192 45.100 0.009 0.000 0.627 352 G HN -0.059 8.175 8.290 0.009 0.061 0.522 353 R N 1.662 122.168 120.500 0.009 0.000 2.401 353 R HA -0.097 nan 4.340 nan 0.000 0.299 353 R C -1.064 175.245 176.300 0.015 0.000 1.064 353 R CA -0.181 55.924 56.100 0.009 0.000 1.000 353 R CB 0.437 30.739 30.300 0.004 0.000 0.973 353 R HN -0.561 7.889 8.270 0.008 -0.175 0.438 354 E N 5.160 125.368 120.200 0.014 0.000 2.052 354 E HA 0.368 nan 4.350 nan 0.000 0.283 354 E C -1.254 175.352 176.600 0.010 0.000 1.071 354 E CA -0.228 56.184 56.400 0.020 0.000 0.851 354 E CB 0.510 30.220 29.700 0.017 0.000 1.066 354 E HN 0.276 8.642 8.360 0.010 0.000 0.396 355 V N 6.307 126.231 119.914 0.016 0.000 2.975 355 V HA 0.448 nan 4.120 nan 0.000 0.318 355 V C -0.857 175.198 176.094 -0.065 0.000 1.077 355 V CA -2.293 59.996 62.300 -0.019 0.000 1.000 355 V CB 3.882 35.693 31.823 -0.019 0.000 1.066 355 V HN 0.984 9.087 8.190 0.049 0.116 0.452 356 T N 0.260 114.749 114.554 -0.109 0.000 3.288 356 T HA 0.278 nan 4.350 nan 0.000 0.293 356 T C -1.194 173.377 174.700 -0.214 0.000 1.008 356 T CA -0.089 61.910 62.100 -0.167 0.000 0.929 356 T CB 0.310 69.116 68.868 -0.104 0.000 1.152 356 T HN 0.157 8.345 8.240 -0.088 0.000 0.517 357 T N 3.998 118.421 114.554 -0.218 0.000 2.879 357 T HA 0.270 nan 4.350 nan 0.000 0.290 357 T C -0.075 174.475 174.700 -0.250 0.000 0.993 357 T CA -0.395 61.588 62.100 -0.194 0.000 0.975 357 T CB 2.411 71.211 68.868 -0.113 0.000 0.981 357 T HN -0.513 7.612 8.240 -0.191 0.000 0.439 358 T N 2.959 117.355 114.554 -0.264 0.000 2.903 358 T HA 0.330 nan 4.350 nan 0.000 0.314 358 T C -1.244 173.264 174.700 -0.320 0.000 1.078 358 T CA -2.335 59.572 62.100 -0.321 0.000 1.114 358 T CB -0.145 68.681 68.868 -0.068 0.000 0.987 358 T HN 0.142 8.264 8.240 -0.198 0.000 0.548 359 P HA 0.071 nan 4.420 nan 0.000 0.293 359 P C -1.394 175.874 177.300 -0.053 0.000 1.298 359 P CA -0.821 62.001 63.100 -0.463 0.000 0.757 359 P CB 0.635 31.838 31.700 -0.828 0.000 1.262 360 L N -8.285 113.068 121.223 0.216 0.000 2.392 360 L HA 0.329 nan 4.340 nan 0.000 0.262 360 L C -1.994 175.113 176.870 0.396 0.000 1.498 360 L CA 0.025 55.117 54.840 0.420 0.000 0.820 360 L CB 1.536 43.734 42.059 0.232 0.000 0.990 360 L HN -0.181 8.135 8.230 0.143 0.000 0.520 361 A N -0.091 123.073 122.820 0.573 0.000 2.564 361 A HA 0.023 nan 4.320 nan 0.000 0.296 361 A C -1.943 175.936 177.584 0.491 0.000 0.924 361 A CA 0.068 52.358 52.037 0.422 0.000 0.715 361 A CB 1.141 20.323 19.000 0.303 0.000 1.137 361 A HN -0.377 8.337 8.150 0.940 0.000 0.376 362 A N 0.933 123.966 122.820 0.356 0.000 1.852 362 A HA -0.410 nan 4.320 nan 0.000 0.217 362 A C 1.779 179.561 177.584 0.331 0.000 1.215 362 A CA 3.491 55.712 52.037 0.307 0.000 0.641 362 A CB -0.309 18.933 19.000 0.403 0.000 0.838 362 A HN 1.210 9.439 8.150 0.340 0.125 0.450 363 D N -2.104 118.464 120.400 0.279 0.000 2.172 363 D HA -0.357 nan 4.640 nan 0.000 0.196 363 D C 1.762 178.198 176.300 0.228 0.000 0.999 363 D CA 3.480 57.612 54.000 0.220 0.000 0.856 363 D CB -0.732 40.172 40.800 0.173 0.000 0.934 363 D HN 0.440 8.974 8.370 0.273 0.000 0.453 364 D N -1.859 118.704 120.400 0.272 0.000 2.348 364 D HA -0.143 nan 4.640 nan 0.000 0.216 364 D C 0.954 177.375 176.300 0.202 0.000 0.970 364 D CA 1.688 55.809 54.000 0.201 0.000 0.889 364 D CB -0.504 40.389 40.800 0.155 0.000 0.912 364 D HN -0.587 7.951 8.370 0.314 0.021 0.524 365 W N -1.428 119.935 121.300 0.104 0.000 2.942 365 W HA 0.073 nan 4.660 nan 0.000 0.263 365 W C 1.029 177.573 176.519 0.042 0.000 1.296 365 W CA 0.806 58.204 57.345 0.088 0.000 1.504 365 W CB 0.401 29.932 29.460 0.118 0.000 1.096 365 W HN 0.051 8.453 8.180 0.635 0.159 0.639 366 K N 0.862 121.430 120.400 0.280 0.000 2.037 366 K HA -0.465 nan 4.320 nan 0.000 0.229 366 K C 1.117 177.781 176.600 0.106 0.000 1.040 366 K CA 3.038 59.421 56.287 0.159 0.000 0.981 366 K CB -0.646 31.925 32.500 0.120 0.000 0.749 366 K HN -0.771 7.523 8.250 0.304 0.139 0.451 367 G N -3.680 105.165 108.800 0.075 0.000 3.042 367 G HA2 0.079 nan 3.960 nan 0.000 0.212 367 G HA3 0.079 nan 3.960 nan 0.000 0.212 367 G C -0.260 174.646 174.900 0.010 0.000 1.166 367 G CA -0.495 44.628 45.100 0.038 0.000 0.767 367 G HN -0.023 8.313 8.290 0.077 0.000 0.546 368 V N -0.048 119.861 119.914 -0.008 0.000 2.843 368 V HA 0.209 nan 4.120 nan 0.000 0.305 368 V C -1.303 174.712 176.094 -0.132 0.000 1.065 368 V CA -0.329 61.913 62.300 -0.096 0.000 1.116 368 V CB 0.466 32.158 31.823 -0.217 0.000 0.968 368 V HN -0.673 7.475 8.190 0.036 0.064 0.487 369 E N 5.094 125.210 120.200 -0.141 0.000 2.288 369 E HA 0.623 nan 4.350 nan 0.000 0.268 369 E C -2.487 174.017 176.600 -0.159 0.000 0.885 369 E CA -3.411 52.918 56.400 -0.119 0.000 0.767 369 E CB 2.453 32.131 29.700 -0.038 0.000 1.220 369 E HN 0.207 8.502 8.360 -0.107 0.000 0.427 370 P HA 0.378 nan 4.420 nan 0.000 0.281 370 P C -0.996 176.103 177.300 -0.335 0.000 1.252 370 P CA -0.376 62.539 63.100 -0.308 0.000 0.778 370 P CB 0.429 31.737 31.700 -0.654 0.000 0.895 371 I N 5.339 125.824 120.570 -0.142 0.000 2.316 371 I HA 0.114 nan 4.170 nan 0.000 0.286 371 I C -0.720 175.397 176.117 -0.001 0.000 1.107 371 I CA -0.861 60.420 61.300 -0.031 0.000 1.219 371 I CB -0.632 37.387 38.000 0.031 0.000 1.455 371 I HN 0.283 8.481 8.210 -0.020 0.000 0.498 372 Y N 6.186 126.522 120.300 0.059 0.000 2.258 372 Y HA -0.032 nan 4.550 nan 0.000 0.345 372 Y C -0.241 175.650 175.900 -0.015 0.000 1.303 372 Y CA 0.004 58.112 58.100 0.012 0.000 1.537 372 Y CB 0.709 39.128 38.460 -0.067 0.000 1.383 372 Y HN -0.229 8.155 8.280 0.174 0.000 0.606 373 E N -1.633 118.655 120.200 0.148 0.000 2.293 373 E HA 0.310 nan 4.350 nan 0.000 0.270 373 E C -1.492 175.096 176.600 -0.020 0.000 0.879 373 E CA -1.345 55.090 56.400 0.058 0.000 0.756 373 E CB 4.065 33.803 29.700 0.064 0.000 1.208 373 E HN 0.081 8.542 8.360 0.167 0.000 0.428 374 T N 6.437 120.964 114.554 -0.046 0.000 2.779 374 T HA 0.624 nan 4.350 nan 0.000 0.280 374 T C -0.843 173.817 174.700 -0.067 0.000 0.987 374 T CA -0.634 61.398 62.100 -0.114 0.000 0.966 374 T CB 0.733 69.524 68.868 -0.128 0.000 0.933 374 T HN 0.214 8.443 8.240 -0.018 0.000 0.442 375 M N 4.684 124.231 119.600 -0.088 0.000 2.465 375 M HA 0.528 nan 4.480 nan 0.000 0.316 375 M C -2.585 173.682 176.300 -0.055 0.000 1.121 375 M CA -2.751 52.537 55.300 -0.020 0.000 0.934 375 M CB 2.903 35.552 32.600 0.081 0.000 1.692 375 M HN 1.224 9.294 8.290 -0.169 0.119 0.444 376 P HA 0.033 nan 4.420 nan 0.000 0.271 376 P C -1.296 176.002 177.300 -0.003 0.000 1.216 376 P CA 0.043 63.136 63.100 -0.011 0.000 0.771 376 P CB 0.039 31.762 31.700 0.039 0.000 0.864 377 G N 1.197 109.904 108.800 -0.155 0.000 2.783 377 G HA2 0.205 nan 3.960 nan 0.000 0.182 377 G HA3 0.205 nan 3.960 nan 0.000 0.182 377 G C -2.174 172.717 174.900 -0.016 0.000 1.516 377 G CA -0.869 43.966 45.100 -0.441 0.000 1.079 377 G HN -0.016 8.175 8.290 -0.164 0.000 0.573 378 W N -5.565 115.715 121.300 -0.033 0.000 3.439 378 W HA 0.384 nan 4.660 nan 0.000 0.323 378 W C -0.707 175.815 176.519 0.004 0.000 1.174 378 W CA -1.999 55.342 57.345 -0.008 0.000 1.224 378 W CB 1.051 30.514 29.460 0.005 0.000 1.348 378 W HN -0.297 7.275 8.180 -1.013 0.000 0.498 379 S N 1.664 117.456 115.700 0.153 0.000 2.501 379 S HA -0.040 nan 4.470 nan 0.000 0.220 379 S C -0.433 174.260 174.600 0.155 0.000 0.997 379 S CA 1.090 59.345 58.200 0.092 0.000 0.919 379 S CB -0.036 63.193 63.200 0.048 0.000 0.778 379 S HN 0.210 8.616 8.310 0.161 0.000 0.523 380 E N 2.755 123.085 120.200 0.216 0.000 2.392 380 E HA 0.015 nan 4.350 nan 0.000 0.256 380 E C -0.818 175.933 176.600 0.252 0.000 1.145 380 E CA -0.198 56.312 56.400 0.183 0.000 0.929 380 E CB 0.442 30.228 29.700 0.143 0.000 0.998 380 E HN -0.178 8.286 8.360 0.267 0.057 0.442 381 S N -2.127 113.688 115.700 0.192 0.000 2.593 381 S HA 0.294 nan 4.470 nan 0.000 0.297 381 S C -0.303 174.408 174.600 0.184 0.000 1.112 381 S CA -1.355 56.980 58.200 0.224 0.000 1.043 381 S CB 1.867 65.176 63.200 0.182 0.000 1.054 381 S HN -0.209 8.188 8.310 0.144 0.000 0.516 382 T N -3.711 110.970 114.554 0.212 0.000 2.975 382 T HA 0.250 nan 4.350 nan 0.000 0.257 382 T C -0.410 174.378 174.700 0.146 0.000 1.003 382 T CA -1.124 61.053 62.100 0.128 0.000 0.932 382 T CB 1.132 70.031 68.868 0.052 0.000 1.087 382 T HN 0.988 10.018 8.240 0.280 -0.622 0.512 383 F N 3.834 123.835 119.950 0.086 0.000 2.580 383 F HA -0.530 nan 4.527 nan 0.000 0.398 383 F C 0.945 176.775 175.800 0.051 0.000 1.023 383 F CA 0.752 58.794 58.000 0.070 0.000 1.188 383 F CB 0.037 39.077 39.000 0.066 0.000 1.005 383 F HN -0.647 8.052 8.300 0.369 -0.177 0.546 384 G N 5.987 114.327 108.800 -0.767 0.000 2.179 384 G HA2 -0.471 nan 3.960 nan 0.000 0.260 384 G HA3 -0.471 nan 3.960 nan 0.000 0.260 384 G C -1.269 173.523 174.900 -0.180 0.000 0.977 384 G CA 0.006 44.794 45.100 -0.519 0.000 0.641 384 G HN 0.849 8.625 8.290 -0.856 0.000 0.533 385 V N 2.899 122.750 119.914 -0.106 0.000 2.485 385 V HA -0.193 nan 4.120 nan 0.000 0.287 385 V C 0.541 176.599 176.094 -0.060 0.000 1.022 385 V CA 1.126 63.397 62.300 -0.049 0.000 1.067 385 V CB -0.319 31.488 31.823 -0.027 0.000 0.967 385 V HN -0.055 8.015 8.190 -0.101 0.059 0.479 386 K N 4.982 125.357 120.400 -0.042 0.000 2.374 386 K HA 0.148 nan 4.320 nan 0.000 0.196 386 K C -1.305 175.281 176.600 -0.023 0.000 1.023 386 K CA -0.897 55.369 56.287 -0.035 0.000 1.103 386 K CB 0.037 32.521 32.500 -0.027 0.000 0.848 386 K HN 0.340 8.572 8.250 -0.030 0.000 0.528 387 D N -1.113 119.274 120.400 -0.022 0.000 2.859 387 D HA 0.160 nan 4.640 nan 0.000 0.223 387 D C 0.217 176.503 176.300 -0.022 0.000 1.218 387 D CA -1.251 52.739 54.000 -0.018 0.000 0.850 387 D CB 2.447 43.240 40.800 -0.012 0.000 1.656 387 D HN -0.596 7.710 8.370 -0.024 0.049 0.484 388 R N 3.535 124.023 120.500 -0.020 0.000 2.134 388 R HA -0.419 nan 4.340 nan 0.000 0.248 388 R C 1.944 178.225 176.300 -0.031 0.000 1.143 388 R CA 4.180 60.265 56.100 -0.026 0.000 0.957 388 R CB -0.029 30.260 30.300 -0.018 0.000 0.867 388 R HN 0.644 8.905 8.270 -0.015 0.000 0.441 389 S N -0.870 114.817 115.700 -0.021 0.000 2.380 389 S HA -0.284 nan 4.470 nan 0.000 0.229 389 S C 1.826 176.412 174.600 -0.023 0.000 1.043 389 S CA 2.230 60.418 58.200 -0.019 0.000 1.038 389 S CB -0.344 62.849 63.200 -0.011 0.000 0.872 389 S HN 0.001 8.302 8.310 -0.016 -0.000 0.456 390 G N -0.805 107.981 108.800 -0.023 0.000 2.650 390 G HA2 -0.132 nan 3.960 nan 0.000 0.214 390 G HA3 -0.132 nan 3.960 nan 0.000 0.214 390 G C -0.711 174.164 174.900 -0.042 0.000 1.136 390 G CA -0.006 45.081 45.100 -0.022 0.000 0.789 390 G HN -0.280 7.869 8.290 -0.023 0.128 0.536 391 L N 2.430 123.613 121.223 -0.067 0.000 2.319 391 L HA 0.153 nan 4.340 nan 0.000 0.280 391 L C -1.330 175.456 176.870 -0.140 0.000 1.099 391 L CA -2.060 52.705 54.840 -0.126 0.000 0.828 391 L CB 0.037 42.011 42.059 -0.141 0.000 1.150 391 L HN -0.334 7.694 8.230 -0.058 0.167 0.442 392 P HA 0.017 nan 4.420 nan 0.000 0.272 392 P C -0.214 176.986 177.300 -0.167 0.000 1.223 392 P CA -0.954 62.063 63.100 -0.138 0.000 0.784 392 P CB 1.308 32.935 31.700 -0.121 0.000 0.923 393 Q N 2.953 122.710 119.800 -0.071 0.000 2.173 393 Q HA -0.325 nan 4.340 nan 0.000 0.208 393 Q C 2.168 178.151 176.000 -0.027 0.000 0.989 393 Q CA 3.599 59.378 55.803 -0.040 0.000 0.872 393 Q CB -0.799 27.942 28.738 0.005 0.000 0.909 393 Q HN 0.592 8.840 8.270 -0.037 0.000 0.420 394 A N -2.455 120.374 122.820 0.015 0.000 1.930 394 A HA -0.210 nan 4.320 nan 0.000 0.217 394 A C 1.617 179.150 177.584 -0.084 0.000 1.175 394 A CA 2.593 54.730 52.037 0.166 0.000 0.627 394 A CB -1.165 18.144 19.000 0.516 0.000 0.815 394 A HN 0.348 8.497 8.150 0.029 0.018 0.443 395 A N -0.643 121.740 122.820 -0.729 0.000 1.828 395 A HA -0.282 nan 4.320 nan 0.000 0.215 395 A C 1.947 179.362 177.584 -0.281 0.000 1.203 395 A CA 2.765 54.178 52.037 -1.041 0.000 0.614 395 A CB -0.996 17.308 19.000 -1.160 0.000 0.844 395 A HN -0.389 7.269 8.150 -0.668 0.091 0.445 396 L N -2.259 118.842 121.223 -0.203 0.000 2.103 396 L HA -0.600 nan 4.340 nan 0.000 0.215 396 L C 2.343 179.211 176.870 -0.004 0.000 1.080 396 L CA 3.330 58.125 54.840 -0.076 0.000 0.764 396 L CB -0.835 41.186 42.059 -0.064 0.000 0.890 396 L HN -0.464 7.610 8.230 -0.260 0.000 0.435 397 N N -1.450 117.263 118.700 0.022 0.000 2.166 397 N HA -0.370 nan 4.740 nan 0.000 0.186 397 N C 2.433 178.040 175.510 0.163 0.000 1.019 397 N CA 3.626 56.727 53.050 0.085 0.000 0.856 397 N CB 0.010 38.559 38.487 0.103 0.000 0.993 397 N HN -0.051 8.212 8.380 -0.013 0.110 0.426 398 Y N 1.356 121.693 120.300 0.062 0.000 2.200 398 Y HA -0.282 nan 4.550 nan 0.000 0.290 398 Y C 1.712 177.654 175.900 0.069 0.000 1.137 398 Y CA 3.073 61.248 58.100 0.126 0.000 1.163 398 Y CB -0.088 38.534 38.460 0.269 0.000 0.988 398 Y HN -0.198 8.147 8.280 0.266 0.094 0.518 399 I N -0.832 119.779 120.570 0.070 0.000 2.142 399 I HA -0.681 nan 4.170 nan 0.000 0.240 399 I C 1.767 177.847 176.117 -0.061 0.000 1.078 399 I CA 4.156 65.425 61.300 -0.052 0.000 1.343 399 I CB -0.204 37.791 38.000 -0.008 0.000 1.046 399 I HN 0.346 8.565 8.210 0.147 0.079 0.405 400 K N -0.902 119.489 120.400 -0.015 0.000 2.209 400 K HA -0.316 nan 4.320 nan 0.000 0.204 400 K C 1.767 178.359 176.600 -0.014 0.000 1.048 400 K CA 2.277 58.560 56.287 -0.007 0.000 0.940 400 K CB -0.540 31.965 32.500 0.008 0.000 0.729 400 K HN 0.075 8.329 8.250 0.006 0.000 0.451 401 R N -0.431 120.058 120.500 -0.018 0.000 2.070 401 R HA -0.251 nan 4.340 nan 0.000 0.233 401 R C 2.244 178.511 176.300 -0.055 0.000 1.137 401 R CA 2.532 58.622 56.100 -0.017 0.000 0.945 401 R CB -1.040 29.267 30.300 0.013 0.000 0.845 401 R HN -0.667 7.587 8.270 -0.001 0.015 0.430 402 I N -1.247 119.239 120.570 -0.141 0.000 2.151 402 I HA -0.603 nan 4.170 nan 0.000 0.243 402 I C 2.272 178.360 176.117 -0.049 0.000 1.080 402 I CA 4.117 65.324 61.300 -0.156 0.000 1.339 402 I CB -0.545 37.280 38.000 -0.292 0.000 1.039 402 I HN -0.409 7.678 8.210 -0.205 0.000 0.409 403 E N -0.520 119.667 120.200 -0.021 0.000 2.038 403 E HA -0.452 nan 4.350 nan 0.000 0.195 403 E C 2.188 178.807 176.600 0.031 0.000 1.000 403 E CA 3.589 60.014 56.400 0.042 0.000 0.803 403 E CB -0.470 29.253 29.700 0.037 0.000 0.750 403 E HN -0.511 7.819 8.360 -0.050 0.000 0.448 404 E N -0.009 120.198 120.200 0.011 0.000 2.035 404 E HA -0.359 nan 4.350 nan 0.000 0.204 404 E C 2.539 179.146 176.600 0.011 0.000 1.025 404 E CA 2.877 59.282 56.400 0.010 0.000 0.835 404 E CB -0.187 29.517 29.700 0.007 0.000 0.764 404 E HN -0.139 8.116 8.360 0.001 0.106 0.457 405 L N -3.401 117.827 121.223 0.008 0.000 2.197 405 L HA -0.349 nan 4.340 nan 0.000 0.215 405 L C 2.050 178.933 176.870 0.021 0.000 1.095 405 L CA 2.786 57.632 54.840 0.009 0.000 0.764 405 L CB 0.138 42.199 42.059 0.004 0.000 0.897 405 L HN 0.006 8.236 8.230 0.000 0.000 0.436 406 T N -8.209 106.375 114.554 0.049 0.000 3.000 406 T HA 0.177 nan 4.350 nan 0.000 0.248 406 T C 1.594 176.323 174.700 0.047 0.000 1.034 406 T CA 0.540 62.691 62.100 0.085 0.000 1.060 406 T CB 0.987 69.998 68.868 0.238 0.000 0.983 406 T HN -0.110 8.025 8.240 0.050 0.135 0.482 407 G N 1.985 110.806 108.800 0.036 0.000 2.162 407 G HA2 -0.384 nan 3.960 nan 0.000 0.260 407 G HA3 -0.384 nan 3.960 nan 0.000 0.260 407 G C -0.964 173.928 174.900 -0.014 0.000 0.976 407 G CA 0.414 45.516 45.100 0.003 0.000 0.655 407 G HN 0.528 8.726 8.290 0.045 0.119 0.533 408 V N 1.886 121.811 119.914 0.018 0.000 2.459 408 V HA 0.249 nan 4.120 nan 0.000 0.295 408 V C -2.245 173.891 176.094 0.070 0.000 1.029 408 V CA -2.864 59.403 62.300 -0.055 0.000 0.874 408 V CB 1.372 33.012 31.823 -0.304 0.000 0.985 408 V HN -0.665 7.529 8.190 0.097 0.055 0.438 409 P HA 0.055 nan 4.420 nan 0.000 0.270 409 P C -1.442 175.953 177.300 0.159 0.000 1.223 409 P CA -0.250 62.894 63.100 0.073 0.000 0.785 409 P CB 0.914 32.636 31.700 0.038 0.000 0.923 410 I N 1.198 121.850 120.570 0.137 0.000 2.412 410 I HA -0.031 nan 4.170 nan 0.000 0.279 410 I C -0.981 175.195 176.117 0.099 0.000 1.063 410 I CA -0.092 61.297 61.300 0.149 0.000 1.193 410 I CB -0.133 37.920 38.000 0.088 0.000 1.370 410 I HN 0.128 8.706 8.210 0.094 -0.311 0.479 411 D N 5.354 125.822 120.400 0.114 0.000 2.194 411 D HA -0.015 nan 4.640 nan 0.000 0.204 411 D C -0.694 175.637 176.300 0.052 0.000 0.964 411 D CA 2.594 56.641 54.000 0.078 0.000 0.846 411 D CB 1.247 42.105 40.800 0.096 0.000 0.962 411 D HN -0.255 8.207 8.370 0.154 0.000 0.490 412 I N -2.719 117.888 120.570 0.063 0.000 2.533 412 I HA 0.453 nan 4.170 nan 0.000 0.290 412 I C -2.138 174.004 176.117 0.041 0.000 1.056 412 I CA -0.772 60.552 61.300 0.040 0.000 1.057 412 I CB 3.455 41.476 38.000 0.035 0.000 1.240 412 I HN -0.905 7.361 8.210 0.092 0.000 0.423 413 I N 5.746 126.331 120.570 0.025 0.000 2.404 413 I HA 0.524 nan 4.170 nan 0.000 0.293 413 I C -1.748 174.378 176.117 0.015 0.000 0.992 413 I CA -1.352 59.962 61.300 0.024 0.000 1.149 413 I CB 2.215 40.223 38.000 0.014 0.000 1.315 413 I HN 0.812 9.032 8.210 0.017 0.000 0.446 414 S N 5.188 120.902 115.700 0.023 0.000 2.456 414 S HA 0.656 nan 4.470 nan 0.000 0.316 414 S C -0.494 174.115 174.600 0.014 0.000 1.089 414 S CA -1.920 56.286 58.200 0.010 0.000 1.101 414 S CB 1.614 64.825 63.200 0.019 0.000 0.995 414 S HN 1.022 9.244 8.310 0.038 0.111 0.468 415 T N 2.945 117.476 114.554 -0.038 0.000 3.313 415 T HA 0.543 nan 4.350 nan 0.000 0.263 415 T C -1.337 173.241 174.700 -0.204 0.000 0.983 415 T CA -2.454 59.607 62.100 -0.066 0.000 0.963 415 T CB -0.310 68.496 68.868 -0.102 0.000 1.141 415 T HN 0.070 8.269 8.240 -0.069 0.000 0.526 416 G N 0.654 109.389 108.800 -0.108 0.000 2.353 416 G HA2 0.018 nan 3.960 nan 0.000 0.308 416 G HA3 0.018 nan 3.960 nan 0.000 0.308 416 G C -3.120 171.773 174.900 -0.011 0.000 1.418 416 G CA 0.497 45.525 45.100 -0.120 0.000 0.966 416 G HN -0.880 7.389 8.290 -0.034 0.000 0.638 417 P HA -0.015 nan 4.420 nan 0.000 0.230 417 P C -1.346 175.978 177.300 0.040 0.000 1.168 417 P CA 0.473 63.613 63.100 0.066 0.000 0.793 417 P CB 0.838 32.602 31.700 0.106 0.000 0.851 418 D N 0.339 120.755 120.400 0.027 0.000 2.348 418 D HA -0.060 nan 4.640 nan 0.000 0.253 418 D C 1.015 177.314 176.300 -0.001 0.000 1.161 418 D CA 0.105 54.117 54.000 0.020 0.000 0.876 418 D CB 1.861 42.677 40.800 0.027 0.000 1.160 418 D HN -0.517 8.188 8.370 0.014 -0.327 0.459 419 R N 7.723 128.229 120.500 0.010 0.000 2.259 419 R HA -0.610 nan 4.340 nan 0.000 0.247 419 R C 1.773 178.071 176.300 -0.003 0.000 1.114 419 R CA 4.139 60.244 56.100 0.008 0.000 0.926 419 R CB -0.141 30.168 30.300 0.014 0.000 0.937 419 R HN 0.962 9.136 8.270 0.019 0.107 0.434 420 T N -4.829 109.721 114.554 -0.006 0.000 2.849 420 T HA -0.177 nan 4.350 nan 0.000 0.270 420 T C 2.508 177.186 174.700 -0.037 0.000 1.066 420 T CA 2.582 64.673 62.100 -0.015 0.000 1.130 420 T CB -0.947 67.915 68.868 -0.009 0.000 0.864 420 T HN -0.477 7.954 8.240 -0.001 -0.192 0.481 421 E N 2.497 122.659 120.200 -0.065 0.000 2.773 421 E HA -0.024 nan 4.350 nan 0.000 0.302 421 E C -1.417 175.127 176.600 -0.094 0.000 1.574 421 E CA -0.332 55.996 56.400 -0.119 0.000 1.775 421 E CB -1.644 27.924 29.700 -0.220 0.000 1.413 421 E HN 0.325 8.489 8.360 -0.056 0.163 0.471 422 T N 0.571 115.093 114.554 -0.054 0.000 2.888 422 T HA 0.668 nan 4.350 nan 0.000 0.288 422 T C -1.369 173.316 174.700 -0.025 0.000 1.063 422 T CA -1.433 60.647 62.100 -0.033 0.000 1.010 422 T CB 2.715 71.575 68.868 -0.013 0.000 1.214 422 T HN -0.166 7.971 8.240 -0.044 0.076 0.533 423 M N 4.041 123.633 119.600 -0.014 0.000 2.090 423 M HA 0.368 nan 4.480 nan 0.000 0.277 423 M C -2.165 174.135 176.300 0.000 0.000 0.935 423 M CA -0.330 54.964 55.300 -0.009 0.000 0.966 423 M CB 3.164 35.757 32.600 -0.013 0.000 1.635 423 M HN 0.781 9.065 8.290 -0.009 0.000 0.446 424 I N 6.640 127.211 120.570 0.002 0.000 2.291 424 I HA 0.118 nan 4.170 nan 0.000 0.290 424 I C -0.039 176.081 176.117 0.004 0.000 1.050 424 I CA 0.131 61.434 61.300 0.004 0.000 1.245 424 I CB -0.373 37.630 38.000 0.004 0.000 1.405 424 I HN 0.368 8.578 8.210 0.001 0.000 0.478 425 L N 6.284 127.512 121.223 0.008 0.000 2.270 425 L HA -0.032 nan 4.340 nan 0.000 0.210 425 L C 0.715 177.588 176.870 0.006 0.000 1.104 425 L CA 1.019 55.865 54.840 0.009 0.000 0.804 425 L CB 0.343 42.410 42.059 0.015 0.000 0.937 425 L HN 1.074 9.202 8.230 0.013 0.110 0.450 426 R N -2.167 118.332 120.500 -0.001 0.000 2.508 426 R HA 0.129 nan 4.340 nan 0.000 0.283 426 R C -2.111 174.150 176.300 -0.065 0.000 1.120 426 R CA -0.899 55.190 56.100 -0.018 0.000 0.958 426 R CB 2.478 32.778 30.300 -0.000 0.000 1.215 426 R HN -0.714 7.556 8.270 -0.000 0.000 0.427 427 D N 6.697 127.056 120.400 -0.068 0.000 2.348 427 D HA 0.274 nan 4.640 nan 0.000 0.253 427 D C -0.452 175.691 176.300 -0.262 0.000 1.161 427 D CA -2.789 51.150 54.000 -0.103 0.000 0.876 427 D CB 1.369 42.170 40.800 0.001 0.000 1.160 427 D HN 0.241 8.589 8.370 -0.037 0.000 0.459 428 P HA -0.200 nan 4.420 nan 0.000 0.218 428 P C -0.259 176.593 177.300 -0.747 0.000 1.148 428 P CA 1.911 64.367 63.100 -1.072 0.000 0.822 428 P CB 0.246 31.222 31.700 -1.208 0.000 0.784 429 F N 0.050 119.765 119.950 -0.393 0.000 2.060 429 F HA -0.258 nan 4.527 nan 0.000 0.295 429 F C 1.156 176.785 175.800 -0.285 0.000 1.120 429 F CA 2.975 60.721 58.000 -0.423 0.000 1.205 429 F CB -0.948 37.752 39.000 -0.499 0.000 0.986 429 F HN -0.006 8.472 8.300 -0.260 -0.333 0.470 430 D N -4.133 116.297 120.400 0.050 0.000 2.363 430 D HA -0.121 nan 4.640 nan 0.000 0.226 430 D C 0.178 176.482 176.300 0.007 0.000 1.020 430 D CA 0.101 54.131 54.000 0.049 0.000 0.892 430 D CB -1.177 39.672 40.800 0.082 0.000 0.900 430 D HN -0.085 8.331 8.370 0.076 0.000 0.531 431 A N 0.000 122.789 122.820 -0.052 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 431 A CB 0.000 18.964 19.000 -0.060 0.000 0.831 431 A HN 0.000 8.023 8.150 -0.121 0.055 0.486