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 3hld_1_A DATA FIRST_RESID -11 DATA SEQUENCE HHSSGLVPRG SHMGSIIDAA AAAGPVVLME TAFRKAVESR QIPGAVIMAR DATA SEQUENCE DASGNLNYTR CFGARTVRRD ENNQLPPLQV DTPCRLASAT KLLTTIMVLQ DATA SEQUENCE CMERGLVDLD ETVDRLLPDL SAMPVLEGFD DAGNARLRER RGKITLRHLL DATA SEQUENCE THTSGLSYVF LHPLLREYMA QGYLQSAEKF GIQSRLAPPA VNDPGAEWIY DATA SEQUENCE GTNLDWAGKL VERATGLDLE QYLQENICAP LGITDMTFKL QQRPDMLARR DATA SEQUENCE ADQTHRNSAD GRLRYDDSVY FRADGEECFG GQGVFSSPGS YMKVLHSLLK DATA SEQUENCE RDGLLLQPQT VDLMFQPALE PRLEEQMNQH MDASPHINYG GPMPMVLRRS DATA SEQUENCE FGLGGIIALE DLDGENWRRK GSLTFGGGPN IVWQIDPKAG LCTLAFFQLE DATA SEQUENCE PWNDPVCRDL TRTFEHAIYA QYQQ 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 -11 H HA 0.000 nan 4.556 nan 0.000 0.296 -11 H C 0.000 175.254 175.328 -0.123 0.000 0.993 -11 H CA 0.000 55.954 56.048 -0.156 0.000 1.023 -11 H CB 0.000 29.697 29.762 -0.108 0.000 1.292 -10 H N 0.397 119.557 119.070 0.151 0.000 2.895 -10 H HA 0.078 4.637 4.556 0.005 0.000 0.371 -10 H C -0.032 175.344 175.328 0.079 0.000 1.219 -10 H CA 0.606 56.706 56.048 0.085 0.000 1.431 -10 H CB 0.475 30.306 29.762 0.115 0.000 1.414 -10 H HN 0.224 nan 8.280 nan 0.000 0.617 -9 S N 0.605 116.424 115.700 0.198 0.000 2.480 -9 S HA 0.069 4.541 4.470 0.004 0.000 0.286 -9 S C 0.339 174.993 174.600 0.089 0.000 1.180 -9 S CA -0.661 57.606 58.200 0.111 0.000 1.075 -9 S CB 1.235 64.482 63.200 0.078 0.000 0.996 -9 S HN 0.585 nan 8.310 nan 0.000 0.487 -8 S N 2.479 118.221 115.700 0.069 0.000 2.515 -8 S HA 0.405 4.877 4.470 0.004 0.000 0.285 -8 S C 1.417 176.037 174.600 0.033 0.000 1.265 -8 S CA 0.777 59.007 58.200 0.050 0.000 1.079 -8 S CB -0.587 62.637 63.200 0.040 0.000 0.877 -8 S HN 1.297 nan 8.310 nan 0.000 0.493 -7 G N 3.607 112.421 108.800 0.024 0.000 2.213 -7 G HA2 -0.190 3.773 3.960 0.004 0.000 0.236 -7 G HA3 -0.190 3.773 3.960 0.004 0.000 0.236 -7 G C -0.087 174.818 174.900 0.009 0.000 0.991 -7 G CA 0.202 45.310 45.100 0.014 0.000 0.629 -7 G HN 0.724 nan 8.290 nan 0.000 0.517 -6 L N 1.280 122.511 121.223 0.013 0.000 2.325 -6 L HA 0.658 5.000 4.340 0.004 0.000 0.278 -6 L C 0.973 177.835 176.870 -0.014 0.000 1.023 -6 L CA -1.425 53.418 54.840 0.006 0.000 0.811 -6 L CB 1.979 44.050 42.059 0.020 0.000 1.249 -6 L HN -0.078 nan 8.230 nan 0.000 0.431 -5 V N 3.531 123.431 119.914 -0.024 0.000 2.694 -5 V HA 0.026 4.149 4.120 0.004 0.000 0.306 -5 V C -1.702 174.346 176.094 -0.076 0.000 1.054 -5 V CA -0.916 61.353 62.300 -0.052 0.000 1.161 -5 V CB 0.138 31.939 31.823 -0.037 0.000 0.916 -5 V HN 0.639 nan 8.190 nan 0.000 0.490 -4 P HA 0.254 nan 4.420 nan 0.000 0.266 -4 P C -0.439 176.815 177.300 -0.077 0.000 1.215 -4 P CA 0.129 63.065 63.100 -0.273 0.000 0.763 -4 P CB 0.608 31.879 31.700 -0.715 0.000 0.806 -3 R N 1.495 122.008 120.500 0.023 0.000 2.885 -3 R HA 0.559 4.901 4.340 0.004 0.000 0.260 -3 R C 0.250 176.562 176.300 0.020 0.000 1.107 -3 R CA -0.926 55.183 56.100 0.015 0.000 0.978 -3 R CB 0.849 31.152 30.300 0.005 0.000 1.227 -3 R HN 0.497 nan 8.270 nan 0.000 0.473 -2 G N 0.212 108.997 108.800 -0.026 0.000 2.365 -2 G HA2 0.146 4.109 3.960 0.004 0.000 0.249 -2 G HA3 0.146 4.109 3.960 0.004 0.000 0.249 -2 G C 0.610 175.470 174.900 -0.067 0.000 1.288 -2 G CA 0.015 45.062 45.100 -0.087 0.000 0.887 -2 G HN 0.516 nan 8.290 nan 0.000 0.524 -1 S N 0.952 116.596 115.700 -0.093 0.000 2.666 -1 S HA 0.236 4.709 4.470 0.004 0.000 0.239 -1 S C 0.506 175.160 174.600 0.090 0.000 1.031 -1 S CA -0.078 58.132 58.200 0.016 0.000 1.015 -1 S CB -0.041 63.201 63.200 0.070 0.000 0.981 -1 S HN 0.980 nan 8.310 nan 0.000 0.547 0 H N -1.807 117.256 119.070 -0.010 0.000 2.960 0 H HA 0.451 5.010 4.556 0.005 0.000 0.323 0 H C 0.341 175.666 175.328 -0.005 0.000 1.326 0 H CA -0.875 55.167 56.048 -0.009 0.000 1.124 0 H CB 0.180 29.933 29.762 -0.015 0.000 1.853 0 H HN -0.100 nan 8.280 nan 0.000 0.536 1 M N 0.991 120.650 119.600 0.098 0.000 2.080 1 M HA -0.079 4.403 4.480 0.004 0.000 0.260 1 M C 2.310 178.606 176.300 -0.006 0.000 1.068 1 M CA 2.113 57.431 55.300 0.030 0.000 1.109 1 M CB -1.618 31.014 32.600 0.053 0.000 1.342 1 M HN 0.919 nan 8.290 nan 0.000 0.405 2 G N 0.119 108.966 108.800 0.078 0.000 2.459 2 G HA2 -0.240 3.722 3.960 0.004 0.000 0.217 2 G HA3 -0.240 3.722 3.960 0.004 0.000 0.217 2 G C 1.612 176.454 174.900 -0.096 0.000 1.183 2 G CA 1.770 46.899 45.100 0.049 0.000 0.776 2 G HN 0.600 nan 8.290 nan 0.000 0.552 3 S N 0.246 115.723 115.700 -0.372 0.000 2.453 3 S HA 0.088 4.561 4.470 0.004 0.000 0.231 3 S C 2.235 176.710 174.600 -0.207 0.000 1.005 3 S CA 0.848 58.845 58.200 -0.339 0.000 0.949 3 S CB -0.184 62.675 63.200 -0.568 0.000 0.774 3 S HN 0.366 nan 8.310 nan 0.000 0.510 4 I N 0.983 121.441 120.570 -0.187 0.000 2.584 4 I HA 0.050 4.223 4.170 0.004 0.000 0.255 4 I C 2.095 178.179 176.117 -0.055 0.000 1.145 4 I CA 0.824 62.066 61.300 -0.097 0.000 1.462 4 I CB -0.225 37.730 38.000 -0.073 0.000 1.102 4 I HN 0.242 nan 8.210 nan 0.000 0.433 5 I N 0.714 121.255 120.570 -0.047 0.000 2.546 5 I HA -0.221 3.952 4.170 0.004 0.000 0.255 5 I C 1.606 177.712 176.117 -0.020 0.000 1.163 5 I CA 1.116 62.402 61.300 -0.022 0.000 1.457 5 I CB -0.295 37.699 38.000 -0.010 0.000 1.092 5 I HN 0.200 nan 8.210 nan 0.000 0.434 6 D N 0.930 121.312 120.400 -0.030 0.000 2.213 6 D HA 0.007 4.650 4.640 0.004 0.000 0.205 6 D C 2.255 178.544 176.300 -0.019 0.000 0.961 6 D CA 1.061 55.049 54.000 -0.020 0.000 0.853 6 D CB -0.047 40.741 40.800 -0.019 0.000 0.967 6 D HN 0.259 nan 8.370 nan 0.000 0.496 7 A N 0.751 123.552 122.820 -0.031 0.000 1.930 7 A HA 0.205 4.527 4.320 0.004 0.000 0.217 7 A C 1.452 179.030 177.584 -0.011 0.000 1.175 7 A CA 1.087 53.111 52.037 -0.022 0.000 0.627 7 A CB -0.280 18.701 19.000 -0.032 0.000 0.815 7 A HN 0.188 nan 8.150 nan 0.000 0.443 8 A N 0.243 123.056 122.820 -0.011 0.000 2.316 8 A HA 0.647 4.969 4.320 0.004 0.000 0.311 8 A C 0.547 178.132 177.584 0.002 0.000 1.339 8 A CA 0.067 52.103 52.037 -0.002 0.000 0.960 8 A CB -0.477 18.522 19.000 -0.001 0.000 1.152 8 A HN 1.056 nan 8.150 nan 0.000 0.547 9 A N 2.453 125.276 122.820 0.006 0.000 2.425 9 A HA 0.575 4.898 4.320 0.004 0.000 0.242 9 A C 1.034 178.623 177.584 0.009 0.000 1.077 9 A CA 0.242 52.283 52.037 0.006 0.000 0.781 9 A CB -0.083 18.922 19.000 0.008 0.000 1.020 9 A HN 2.112 nan 8.150 nan 0.000 0.494 10 A N 0.745 123.569 122.820 0.007 0.000 2.520 10 A HA 0.480 4.803 4.320 0.004 0.000 0.235 10 A C 0.912 178.503 177.584 0.011 0.000 1.065 10 A CA 0.281 52.323 52.037 0.008 0.000 0.764 10 A CB -0.399 18.604 19.000 0.004 0.000 1.002 10 A HN 2.256 nan 8.150 nan 0.000 0.502 11 A N 2.064 124.894 122.820 0.016 0.000 2.491 11 A HA 0.504 4.827 4.320 0.004 0.000 0.261 11 A C 1.000 178.594 177.584 0.017 0.000 1.101 11 A CA 0.302 52.353 52.037 0.024 0.000 0.772 11 A CB -0.653 18.366 19.000 0.030 0.000 1.043 11 A HN 1.660 nan 8.150 nan 0.000 0.501 12 G N 2.781 111.591 108.800 0.017 0.000 2.616 12 G HA2 0.419 4.382 3.960 0.004 0.000 0.268 12 G HA3 0.419 4.382 3.960 0.004 0.000 0.268 12 G C -1.425 173.479 174.900 0.007 0.000 1.213 12 G CA -0.992 44.107 45.100 -0.001 0.000 0.926 12 G HN 0.444 nan 8.290 nan 0.000 0.523 13 P HA -0.133 nan 4.420 nan 0.000 0.215 13 P C 2.123 179.445 177.300 0.037 0.000 1.157 13 P CA 0.811 63.911 63.100 -0.001 0.000 0.874 13 P CB 0.044 31.723 31.700 -0.036 0.000 0.790 14 V N -0.564 119.367 119.914 0.029 0.000 2.295 14 V HA -0.198 3.925 4.120 0.004 0.000 0.246 14 V C 2.509 178.695 176.094 0.152 0.000 1.049 14 V CA 1.721 64.075 62.300 0.090 0.000 1.024 14 V CB -1.234 30.634 31.823 0.075 0.000 0.648 14 V HN -0.054 nan 8.190 nan 0.000 0.447 15 V N -0.148 119.842 119.914 0.126 0.000 2.282 15 V HA -0.301 3.822 4.120 0.004 0.000 0.249 15 V C 2.315 178.481 176.094 0.120 0.000 1.057 15 V CA 2.174 64.552 62.300 0.130 0.000 1.032 15 V CB -0.588 31.291 31.823 0.093 0.000 0.645 15 V HN 0.446 nan 8.190 nan 0.000 0.447 16 L N -1.011 120.267 121.223 0.091 0.000 2.093 16 L HA -0.195 4.148 4.340 0.004 0.000 0.208 16 L C 2.553 179.483 176.870 0.101 0.000 1.085 16 L CA 1.623 56.509 54.840 0.077 0.000 0.755 16 L CB -0.514 41.574 42.059 0.049 0.000 0.904 16 L HN 0.365 nan 8.230 nan 0.000 0.435 17 M N 0.137 119.819 119.600 0.137 0.000 2.117 17 M HA -0.227 4.256 4.480 0.004 0.000 0.262 17 M C 1.968 178.430 176.300 0.270 0.000 1.065 17 M CA 1.921 57.345 55.300 0.206 0.000 1.114 17 M CB -0.369 32.382 32.600 0.252 0.000 1.361 17 M HN 0.284 nan 8.290 nan 0.000 0.408 18 E N -0.654 119.695 120.200 0.248 0.000 2.106 18 E HA -0.146 4.207 4.350 0.004 0.000 0.192 18 E C 1.782 178.474 176.600 0.154 0.000 0.984 18 E CA 1.789 58.342 56.400 0.254 0.000 0.806 18 E CB -0.145 29.768 29.700 0.356 0.000 0.750 18 E HN 0.553 nan 8.360 nan 0.000 0.458 19 T N 1.080 115.714 114.554 0.133 0.000 2.720 19 T HA -0.191 4.162 4.350 0.004 0.000 0.268 19 T C 2.029 176.747 174.700 0.031 0.000 1.037 19 T CA 1.257 63.406 62.100 0.081 0.000 1.144 19 T CB -0.241 68.668 68.868 0.068 0.000 0.864 19 T HN 0.261 nan 8.240 nan 0.000 0.444 20 A N 0.769 123.605 122.820 0.026 0.000 1.908 20 A HA -0.047 4.276 4.320 0.004 0.000 0.218 20 A C 2.006 179.489 177.584 -0.170 0.000 1.181 20 A CA 1.425 53.425 52.037 -0.062 0.000 0.627 20 A CB -1.041 17.915 19.000 -0.073 0.000 0.818 20 A HN 0.489 nan 8.150 nan 0.000 0.445 21 F N -0.234 119.523 119.950 -0.322 0.000 2.146 21 F HA -0.133 4.399 4.527 0.007 0.000 0.298 21 F C 2.664 178.198 175.800 -0.443 0.000 1.096 21 F CA 1.722 59.379 58.000 -0.572 0.000 1.275 21 F CB -0.195 37.960 39.000 -1.409 0.000 1.008 21 F HN 0.105 nan 8.300 nan 0.000 0.480 22 R N 0.338 120.753 120.500 -0.142 0.000 2.081 22 R HA -0.160 4.183 4.340 0.004 0.000 0.235 22 R C 2.083 178.392 176.300 0.016 0.000 1.131 22 R CA 1.452 57.574 56.100 0.037 0.000 0.960 22 R CB -0.426 29.947 30.300 0.121 0.000 0.856 22 R HN 0.283 nan 8.270 nan 0.000 0.436 23 K N 0.302 120.690 120.400 -0.018 0.000 2.097 23 K HA -0.054 4.269 4.320 0.004 0.000 0.205 23 K C 2.131 178.707 176.600 -0.041 0.000 1.050 23 K CA 1.200 57.473 56.287 -0.023 0.000 0.938 23 K CB -0.074 32.406 32.500 -0.032 0.000 0.718 23 K HN 0.141 nan 8.250 nan 0.000 0.442 24 A N 0.879 123.650 122.820 -0.082 0.000 1.930 24 A HA -0.103 4.220 4.320 0.004 0.000 0.217 24 A C 2.304 179.873 177.584 -0.024 0.000 1.175 24 A CA 1.245 53.230 52.037 -0.086 0.000 0.627 24 A CB -0.455 18.443 19.000 -0.169 0.000 0.815 24 A HN 0.058 nan 8.150 nan 0.000 0.443 25 V N -0.093 119.827 119.914 0.009 0.000 2.323 25 V HA -0.236 3.887 4.120 0.004 0.000 0.244 25 V C 2.375 178.493 176.094 0.041 0.000 1.041 25 V CA 2.178 64.511 62.300 0.055 0.000 1.025 25 V CB -0.858 31.030 31.823 0.108 0.000 0.656 25 V HN 0.626 nan 8.190 nan 0.000 0.451 26 E N 0.897 121.117 120.200 0.034 0.000 2.085 26 E HA -0.194 4.159 4.350 0.004 0.000 0.194 26 E C 2.117 178.726 176.600 0.015 0.000 0.994 26 E CA 1.736 58.152 56.400 0.027 0.000 0.801 26 E CB -0.230 29.486 29.700 0.026 0.000 0.743 26 E HN 0.714 nan 8.360 nan 0.000 0.453 27 S N -0.075 115.627 115.700 0.003 0.000 2.631 27 S HA 0.091 4.564 4.470 0.004 0.000 0.217 27 S C 0.530 175.128 174.600 -0.003 0.000 0.958 27 S CA -0.139 58.058 58.200 -0.005 0.000 0.920 27 S CB -0.017 63.172 63.200 -0.018 0.000 0.776 27 S HN 0.192 nan 8.310 nan 0.000 0.517 28 R N 0.212 120.716 120.500 0.007 0.000 3.651 28 R HA -0.205 4.137 4.340 0.004 0.000 0.292 28 R C 0.882 177.184 176.300 0.003 0.000 1.161 28 R CA 1.065 57.174 56.100 0.014 0.000 0.787 28 R CB -2.292 28.017 30.300 0.016 0.000 1.249 28 R HN 0.608 nan 8.270 nan 0.000 0.476 29 Q N 0.163 119.956 119.800 -0.011 0.000 2.187 29 Q HA 0.067 4.410 4.340 0.004 0.000 0.199 29 Q C 1.232 177.221 176.000 -0.018 0.000 0.957 29 Q CA 1.364 57.148 55.803 -0.032 0.000 0.857 29 Q CB 0.218 28.919 28.738 -0.062 0.000 0.929 29 Q HN 0.622 nan 8.270 nan 0.000 0.453 30 I N -4.742 115.841 120.570 0.022 0.000 2.934 30 I HA 0.370 4.542 4.170 0.004 0.000 0.306 30 I C -2.488 173.693 176.117 0.107 0.000 1.110 30 I CA -2.751 58.599 61.300 0.083 0.000 1.019 30 I CB 1.978 40.084 38.000 0.177 0.000 1.227 30 I HN -0.271 nan 8.210 nan 0.000 0.434 31 P HA 0.191 nan 4.420 nan 0.000 0.215 31 P C 0.493 177.878 177.300 0.142 0.000 1.157 31 P CA 0.857 64.032 63.100 0.126 0.000 0.856 31 P CB 0.162 31.943 31.700 0.135 0.000 0.786 32 G N -2.207 106.704 108.800 0.184 0.000 2.430 32 G HA2 0.607 4.570 3.960 0.004 0.000 0.300 32 G HA3 0.607 4.570 3.960 0.004 0.000 0.300 32 G C -2.126 172.865 174.900 0.152 0.000 1.330 32 G CA 0.041 45.250 45.100 0.182 0.000 0.813 32 G HN 0.225 nan 8.290 nan 0.000 0.487 33 A N -1.468 121.405 122.820 0.088 0.000 2.608 33 A HA 0.829 5.152 4.320 0.004 0.000 0.292 33 A C -1.669 175.860 177.584 -0.092 0.000 1.066 33 A CA -0.453 51.468 52.037 -0.193 0.000 0.676 33 A CB 1.674 20.426 19.000 -0.414 0.000 1.277 33 A HN 1.735 nan 8.150 nan 0.000 0.413 34 V N 1.903 121.706 119.914 -0.184 0.000 2.588 34 V HA 0.632 4.754 4.120 0.004 0.000 0.304 34 V C -0.504 175.445 176.094 -0.241 0.000 1.042 34 V CA -0.283 61.901 62.300 -0.194 0.000 0.877 34 V CB 1.443 33.157 31.823 -0.181 0.000 0.996 34 V HN 0.931 nan 8.190 nan 0.000 0.425 35 I N 2.245 122.599 120.570 -0.360 0.000 2.509 35 I HA 0.830 5.003 4.170 0.004 0.000 0.293 35 I C -0.874 175.081 176.117 -0.269 0.000 1.020 35 I CA -0.723 60.251 61.300 -0.543 0.000 1.088 35 I CB 2.151 39.449 38.000 -1.169 0.000 1.267 35 I HN 0.521 nan 8.210 nan 0.000 0.430 36 M N 5.321 124.923 119.600 0.004 0.000 2.378 36 M HA 0.799 5.282 4.480 0.004 0.000 0.289 36 M C -1.019 175.556 176.300 0.458 0.000 1.136 36 M CA -0.541 54.875 55.300 0.194 0.000 0.917 36 M CB 2.552 35.218 32.600 0.111 0.000 1.669 36 M HN 0.844 nan 8.290 nan 0.000 0.461 37 A N 2.777 125.847 122.820 0.417 0.000 2.455 37 A HA 0.930 5.253 4.320 0.004 0.000 0.300 37 A C -1.240 176.426 177.584 0.136 0.000 1.040 37 A CA -0.777 51.452 52.037 0.320 0.000 0.697 37 A CB 1.904 21.092 19.000 0.313 0.000 1.265 37 A HN 0.900 nan 8.150 nan 0.000 0.407 38 R N 1.301 121.840 120.500 0.066 0.000 2.673 38 R HA 0.491 4.833 4.340 0.004 0.000 0.281 38 R C -1.483 174.829 176.300 0.020 0.000 0.991 38 R CA -0.759 55.310 56.100 -0.052 0.000 0.896 38 R CB 2.333 32.460 30.300 -0.287 0.000 1.201 38 R HN 0.944 nan 8.270 nan 0.000 0.457 39 D N 0.903 121.309 120.400 0.011 0.000 2.487 39 D HA 0.316 4.959 4.640 0.004 0.000 0.262 39 D C 0.625 177.026 176.300 0.167 0.000 1.130 39 D CA -0.679 53.359 54.000 0.063 0.000 1.038 39 D CB 0.892 41.700 40.800 0.015 0.000 1.142 39 D HN 0.398 nan 8.370 nan 0.000 0.575 40 A N 0.132 123.025 122.820 0.122 0.000 1.897 40 A HA -0.100 4.223 4.320 0.004 0.000 0.215 40 A C 2.077 179.720 177.584 0.099 0.000 1.181 40 A CA 2.156 54.255 52.037 0.104 0.000 0.620 40 A CB -1.109 17.906 19.000 0.025 0.000 0.821 40 A HN 0.654 nan 8.150 nan 0.000 0.443 41 S N -1.803 113.937 115.700 0.065 0.000 2.423 41 S HA 0.267 4.739 4.470 0.004 0.000 0.231 41 S C 1.658 176.289 174.600 0.052 0.000 1.014 41 S CA 1.548 59.774 58.200 0.044 0.000 0.965 41 S CB -0.367 62.849 63.200 0.025 0.000 0.785 41 S HN 1.931 nan 8.310 nan 0.000 0.495 42 G N 1.421 110.260 108.800 0.064 0.000 2.232 42 G HA2 -0.276 3.687 3.960 0.004 0.000 0.226 42 G HA3 -0.276 3.687 3.960 0.004 0.000 0.226 42 G C 0.793 175.689 174.900 -0.008 0.000 0.996 42 G CA 0.273 45.395 45.100 0.037 0.000 0.626 42 G HN 0.448 nan 8.290 nan 0.000 0.509 43 N N -0.246 118.448 118.700 -0.010 0.000 2.205 43 N HA 0.021 4.764 4.740 0.004 0.000 0.186 43 N C 0.792 176.245 175.510 -0.096 0.000 1.015 43 N CA 1.312 54.342 53.050 -0.033 0.000 0.862 43 N CB -0.026 38.453 38.487 -0.012 0.000 0.986 43 N HN 0.626 nan 8.380 nan 0.000 0.429 44 L N 0.967 122.123 121.223 -0.111 0.000 2.319 44 L HA 0.470 4.813 4.340 0.004 0.000 0.281 44 L C -0.968 175.828 176.870 -0.123 0.000 1.005 44 L CA -0.438 54.285 54.840 -0.194 0.000 0.828 44 L CB 1.071 43.003 42.059 -0.211 0.000 1.227 44 L HN -0.092 nan 8.230 nan 0.000 0.415 45 N N 4.361 122.999 118.700 -0.102 0.000 2.701 45 N HA 0.184 4.926 4.740 0.004 0.000 0.258 45 N C -2.289 173.219 175.510 -0.003 0.000 1.262 45 N CA -0.321 52.686 53.050 -0.071 0.000 0.780 45 N CB 0.529 38.959 38.487 -0.095 0.000 1.380 45 N HN 0.531 nan 8.380 nan 0.000 0.548 46 Y N 2.078 122.317 120.300 -0.102 0.000 2.331 46 Y HA 0.620 5.171 4.550 0.003 0.000 0.334 46 Y C -1.095 174.778 175.900 -0.045 0.000 0.960 46 Y CA -0.235 57.825 58.100 -0.066 0.000 1.130 46 Y CB 1.598 40.041 38.460 -0.029 0.000 1.164 46 Y HN 0.266 nan 8.280 nan 0.000 0.458 47 T N 7.231 121.491 114.554 -0.490 0.000 2.928 47 T HA 0.579 4.932 4.350 0.004 0.000 0.296 47 T C -1.113 173.202 174.700 -0.641 0.000 1.000 47 T CA -0.953 60.878 62.100 -0.448 0.000 0.989 47 T CB 0.918 69.628 68.868 -0.264 0.000 1.005 47 T HN 0.411 nan 8.240 nan 0.000 0.442 48 R N 1.398 121.511 120.500 -0.646 0.000 2.628 48 R HA 0.651 4.993 4.340 0.004 0.000 0.288 48 R C -1.341 174.537 176.300 -0.705 0.000 0.980 48 R CA -0.590 55.085 56.100 -0.708 0.000 0.891 48 R CB 1.621 31.491 30.300 -0.715 0.000 1.188 48 R HN 0.670 nan 8.270 nan 0.000 0.450 49 C N 2.828 121.647 119.300 -0.802 0.000 2.408 49 C HA 0.708 5.171 4.460 0.004 0.000 0.321 49 C C -0.789 173.741 174.990 -0.766 0.000 1.245 49 C CA -0.796 57.868 59.018 -0.589 0.000 1.523 49 C CB 0.146 27.679 27.740 -0.346 0.000 2.178 49 C HN 0.657 nan 8.230 nan 0.000 0.488 50 F N 1.584 121.473 119.950 -0.102 0.000 2.540 50 F HA 0.729 5.260 4.527 0.006 0.000 0.317 50 F C 0.874 176.676 175.800 0.003 0.000 1.104 50 F CA 0.758 58.743 58.000 -0.025 0.000 0.913 50 F CB 1.474 40.502 39.000 0.047 0.000 1.170 50 F HN 1.037 nan 8.300 nan 0.000 0.450 51 G N 1.372 110.284 108.800 0.186 0.000 2.547 51 G HA2 0.175 4.138 3.960 0.004 0.000 0.271 51 G HA3 0.175 4.138 3.960 0.004 0.000 0.271 51 G C -0.820 174.127 174.900 0.078 0.000 1.209 51 G CA -0.223 44.956 45.100 0.131 0.000 0.959 51 G HN 1.376 nan 8.290 nan 0.000 0.563 52 A N -0.561 122.308 122.820 0.081 0.000 2.384 52 A HA 0.812 5.134 4.320 0.004 0.000 0.312 52 A C 1.066 178.692 177.584 0.069 0.000 1.113 52 A CA 0.623 52.695 52.037 0.058 0.000 0.779 52 A CB 1.343 20.373 19.000 0.051 0.000 1.307 52 A HN 1.641 nan 8.150 nan 0.000 0.436 53 R N 0.009 120.540 120.500 0.051 0.000 2.320 53 R HA 0.247 4.589 4.340 0.004 0.000 0.211 53 R C 0.157 176.496 176.300 0.065 0.000 0.931 53 R CA 0.980 57.117 56.100 0.062 0.000 1.071 53 R CB -0.025 30.297 30.300 0.037 0.000 1.025 53 R HN 0.643 nan 8.270 nan 0.000 0.495 54 T N -1.254 113.338 114.554 0.063 0.000 2.722 54 T HA 0.160 4.513 4.350 0.004 0.000 0.314 54 T C -0.113 174.626 174.700 0.064 0.000 1.675 54 T CA -0.271 61.868 62.100 0.065 0.000 1.003 54 T CB 1.401 70.276 68.868 0.012 0.000 1.602 54 T HN 0.049 nan 8.240 nan 0.000 0.496 55 V N 0.197 120.159 119.914 0.080 0.000 3.578 55 V HA 0.563 4.686 4.120 0.004 0.000 0.290 55 V C 0.659 176.760 176.094 0.011 0.000 1.376 55 V CA -0.076 62.261 62.300 0.061 0.000 1.083 55 V CB -0.420 31.459 31.823 0.093 0.000 0.911 55 V HN 0.623 nan 8.190 nan 0.000 0.433 56 R N 2.013 122.485 120.500 -0.046 0.000 2.234 56 R HA 0.475 4.818 4.340 0.004 0.000 0.324 56 R C -0.120 176.129 176.300 -0.085 0.000 1.054 56 R CA -0.428 55.597 56.100 -0.125 0.000 0.912 56 R CB 1.044 31.170 30.300 -0.289 0.000 1.030 56 R HN 0.432 nan 8.270 nan 0.000 0.455 57 R N 1.804 122.264 120.500 -0.067 0.000 2.594 57 R HA -0.017 4.326 4.340 0.004 0.000 0.272 57 R C 0.314 176.579 176.300 -0.058 0.000 1.074 57 R CA -0.132 55.940 56.100 -0.048 0.000 1.105 57 R CB 0.420 30.700 30.300 -0.033 0.000 1.008 57 R HN 0.643 nan 8.270 nan 0.000 0.472 58 D N 0.967 121.340 120.400 -0.045 0.000 2.478 58 D HA -0.078 4.564 4.640 0.004 0.000 0.274 58 D C 0.933 177.210 176.300 -0.037 0.000 1.234 58 D CA -0.434 53.539 54.000 -0.045 0.000 1.069 58 D CB 0.276 41.054 40.800 -0.037 0.000 1.113 58 D HN 0.542 nan 8.370 nan 0.000 0.571 59 E N -0.105 120.075 120.200 -0.034 0.000 2.333 59 E HA -0.220 4.133 4.350 0.004 0.000 0.198 59 E C 0.082 176.669 176.600 -0.022 0.000 1.007 59 E CA 0.982 57.366 56.400 -0.028 0.000 0.845 59 E CB -0.867 28.818 29.700 -0.025 0.000 0.766 59 E HN 0.604 nan 8.360 nan 0.000 0.507 60 N N 1.306 119.993 118.700 -0.021 0.000 2.214 60 N HA 0.063 4.806 4.740 0.004 0.000 0.214 60 N C -0.092 175.409 175.510 -0.016 0.000 1.132 60 N CA 0.212 53.252 53.050 -0.017 0.000 0.856 60 N CB 0.258 38.736 38.487 -0.015 0.000 1.020 60 N HN 0.179 nan 8.380 nan 0.000 0.509 61 N N 0.462 119.151 118.700 -0.019 0.000 2.829 61 N HA -0.168 4.575 4.740 0.004 0.000 0.250 61 N C -1.089 174.413 175.510 -0.014 0.000 1.090 61 N CA 0.434 53.474 53.050 -0.017 0.000 0.781 61 N CB -0.351 38.128 38.487 -0.013 0.000 1.124 61 N HN 0.241 nan 8.380 nan 0.000 0.559 62 Q N 0.526 120.317 119.800 -0.015 0.000 2.297 62 Q HA 0.513 4.855 4.340 0.004 0.000 0.269 62 Q C 0.026 176.018 176.000 -0.013 0.000 1.051 62 Q CA -0.416 55.381 55.803 -0.011 0.000 0.869 62 Q CB 1.328 30.059 28.738 -0.011 0.000 1.346 62 Q HN 0.274 nan 8.270 nan 0.000 0.457 63 L N 3.316 124.536 121.223 -0.005 0.000 2.264 63 L HA 0.355 4.697 4.340 0.004 0.000 0.287 63 L C -2.029 174.841 176.870 -0.001 0.000 1.039 63 L CA -1.752 53.087 54.840 -0.002 0.000 0.829 63 L CB 1.129 43.194 42.059 0.011 0.000 1.211 63 L HN 0.251 nan 8.230 nan 0.000 0.427 64 P HA 0.212 nan 4.420 nan 0.000 0.271 64 P C -2.641 174.657 177.300 -0.003 0.000 1.218 64 P CA -1.459 61.635 63.100 -0.010 0.000 0.780 64 P CB 0.050 31.740 31.700 -0.017 0.000 0.901 65 P HA 0.115 nan 4.420 nan 0.000 0.275 65 P C -0.466 176.826 177.300 -0.013 0.000 1.228 65 P CA -0.404 62.690 63.100 -0.011 0.000 0.786 65 P CB 0.585 32.267 31.700 -0.030 0.000 0.927 66 L N 3.521 124.740 121.223 -0.006 0.000 2.313 66 L HA 0.186 4.529 4.340 0.004 0.000 0.282 66 L C 0.186 177.017 176.870 -0.065 0.000 1.092 66 L CA 0.668 55.500 54.840 -0.014 0.000 0.831 66 L CB -0.131 41.939 42.059 0.019 0.000 1.159 66 L HN 0.297 nan 8.230 nan 0.000 0.442 67 Q N 3.102 122.855 119.800 -0.078 0.000 2.359 67 Q HA 0.235 4.578 4.340 0.004 0.000 0.275 67 Q C 0.648 176.563 176.000 -0.141 0.000 1.082 67 Q CA -0.619 55.118 55.803 -0.110 0.000 0.849 67 Q CB 1.914 30.601 28.738 -0.085 0.000 1.377 67 Q HN 0.523 nan 8.270 nan 0.000 0.452 68 V N 1.209 121.029 119.914 -0.156 0.000 2.720 68 V HA -0.185 3.938 4.120 0.004 0.000 0.256 68 V C 0.755 176.761 176.094 -0.147 0.000 1.082 68 V CA 2.542 64.739 62.300 -0.171 0.000 1.101 68 V CB -0.192 31.538 31.823 -0.155 0.000 0.693 68 V HN 0.781 nan 8.190 nan 0.000 0.479 69 D N -1.668 118.667 120.400 -0.109 0.000 2.501 69 D HA 0.077 4.719 4.640 0.004 0.000 0.226 69 D C 0.482 176.748 176.300 -0.056 0.000 1.198 69 D CA -0.117 53.837 54.000 -0.076 0.000 0.830 69 D CB -0.384 40.383 40.800 -0.055 0.000 1.014 69 D HN 0.320 nan 8.370 nan 0.000 0.496 70 T N 2.808 117.320 114.554 -0.071 0.000 2.814 70 T HA 0.282 4.635 4.350 0.004 0.000 0.297 70 T C -2.529 172.183 174.700 0.019 0.000 0.956 70 T CA -0.980 61.108 62.100 -0.021 0.000 1.123 70 T CB 1.334 70.192 68.868 -0.016 0.000 0.902 70 T HN 0.029 nan 8.240 nan 0.000 0.528 71 P HA 0.256 nan 4.420 nan 0.000 0.266 71 P C -0.774 176.723 177.300 0.329 0.000 1.215 71 P CA -0.264 62.946 63.100 0.184 0.000 0.763 71 P CB 0.160 31.960 31.700 0.167 0.000 0.806 72 C N 3.564 123.102 119.300 0.396 0.000 2.779 72 C HA 0.487 4.950 4.460 0.004 0.000 0.314 72 C C 0.509 175.748 174.990 0.415 0.000 1.231 72 C CA -0.775 58.556 59.018 0.522 0.000 1.652 72 C CB 1.856 29.932 27.740 0.560 0.000 2.198 72 C HN 0.536 nan 8.230 nan 0.000 0.483 73 R N 1.746 122.374 120.500 0.213 0.000 2.351 73 R HA 0.227 4.570 4.340 0.004 0.000 0.318 73 R C 0.427 176.544 176.300 -0.306 0.000 1.055 73 R CA -0.044 55.723 56.100 -0.554 0.000 0.968 73 R CB 0.127 30.117 30.300 -0.515 0.000 0.974 73 R HN 0.811 nan 8.270 nan 0.000 0.439 74 L N 4.521 125.516 121.223 -0.380 0.000 2.270 74 L HA 0.040 4.383 4.340 0.004 0.000 0.210 74 L C 1.688 178.413 176.870 -0.243 0.000 1.104 74 L CA 0.849 55.544 54.840 -0.241 0.000 0.804 74 L CB -0.729 41.228 42.059 -0.169 0.000 0.937 74 L HN 1.023 nan 8.230 nan 0.000 0.450 75 A N 0.268 122.894 122.820 -0.322 0.000 5.481 75 A HA -0.398 3.925 4.320 0.004 0.000 0.318 75 A C 1.705 179.236 177.584 -0.089 0.000 1.837 75 A CA 1.737 53.615 52.037 -0.265 0.000 0.717 75 A CB -1.777 17.069 19.000 -0.257 0.000 1.349 75 A HN 0.245 nan 8.150 nan 0.000 0.388 76 S N 0.101 115.795 115.700 -0.010 0.000 2.547 76 S HA 0.181 4.653 4.470 0.004 0.000 0.235 76 S C 1.939 176.726 174.600 0.311 0.000 0.980 76 S CA 1.547 59.863 58.200 0.194 0.000 0.941 76 S CB -0.600 62.776 63.200 0.293 0.000 0.763 76 S HN 1.661 nan 8.310 nan 0.000 0.532 77 A N 1.044 123.979 122.820 0.191 0.000 2.178 77 A HA -0.067 4.255 4.320 0.004 0.000 0.218 77 A C 2.117 179.876 177.584 0.291 0.000 1.157 77 A CA 1.485 53.693 52.037 0.285 0.000 0.689 77 A CB -0.938 18.010 19.000 -0.087 0.000 0.787 77 A HN 0.447 nan 8.150 nan 0.000 0.465 78 T N 0.204 114.866 114.554 0.180 0.000 2.849 78 T HA -0.153 4.200 4.350 0.004 0.000 0.270 78 T C 1.797 176.634 174.700 0.228 0.000 1.066 78 T CA 1.694 63.892 62.100 0.164 0.000 1.130 78 T CB -0.179 68.742 68.868 0.087 0.000 0.864 78 T HN 0.607 nan 8.240 nan 0.000 0.481 79 K N 0.469 121.050 120.400 0.301 0.000 2.097 79 K HA -0.040 4.283 4.320 0.004 0.000 0.206 79 K C 2.141 178.882 176.600 0.234 0.000 1.049 79 K CA 0.822 57.286 56.287 0.295 0.000 0.933 79 K CB -0.358 32.379 32.500 0.394 0.000 0.717 79 K HN 0.170 nan 8.250 nan 0.000 0.442 80 L N 1.594 122.964 121.223 0.245 0.000 2.042 80 L HA -0.180 4.163 4.340 0.004 0.000 0.210 80 L C 1.834 178.712 176.870 0.012 0.000 1.076 80 L CA 1.593 56.474 54.840 0.069 0.000 0.749 80 L CB -0.371 41.569 42.059 -0.198 0.000 0.893 80 L HN 0.128 nan 8.230 nan 0.000 0.432 81 L N -1.504 119.749 121.223 0.049 0.000 2.017 81 L HA -0.209 4.134 4.340 0.004 0.000 0.208 81 L C 2.342 179.272 176.870 0.100 0.000 1.073 81 L CA 1.824 56.691 54.840 0.046 0.000 0.745 81 L CB -1.387 40.713 42.059 0.068 0.000 0.894 81 L HN 0.242 nan 8.230 nan 0.000 0.432 82 T N -1.090 113.548 114.554 0.139 0.000 2.788 82 T HA -0.160 4.193 4.350 0.004 0.000 0.268 82 T C 1.934 176.686 174.700 0.087 0.000 1.044 82 T CA 1.811 63.995 62.100 0.140 0.000 1.139 82 T CB -0.291 68.677 68.868 0.167 0.000 0.867 82 T HN 0.350 nan 8.240 nan 0.000 0.454 83 T N 2.250 116.852 114.554 0.080 0.000 2.684 83 T HA -0.028 4.324 4.350 0.004 0.000 0.267 83 T C 1.961 176.687 174.700 0.043 0.000 1.036 83 T CA 1.055 63.188 62.100 0.055 0.000 1.148 83 T CB -0.458 68.447 68.868 0.061 0.000 0.863 83 T HN 0.334 nan 8.240 nan 0.000 0.436 84 I N 0.733 121.328 120.570 0.041 0.000 2.208 84 I HA -0.205 3.967 4.170 0.004 0.000 0.245 84 I C 2.548 178.715 176.117 0.084 0.000 1.097 84 I CA 1.385 62.713 61.300 0.046 0.000 1.363 84 I CB -0.384 37.630 38.000 0.023 0.000 1.051 84 I HN 0.259 nan 8.210 nan 0.000 0.413 85 M N -0.351 119.315 119.600 0.110 0.000 2.159 85 M HA -0.183 4.299 4.480 0.004 0.000 0.263 85 M C 2.386 178.680 176.300 -0.010 0.000 1.063 85 M CA 1.474 56.852 55.300 0.130 0.000 1.110 85 M CB -0.412 32.249 32.600 0.101 0.000 1.374 85 M HN 0.113 nan 8.290 nan 0.000 0.411 86 V N 0.803 120.709 119.914 -0.015 0.000 2.295 86 V HA -0.245 3.877 4.120 0.004 0.000 0.246 86 V C 2.276 178.369 176.094 -0.001 0.000 1.049 86 V CA 1.598 63.879 62.300 -0.031 0.000 1.024 86 V CB -0.616 31.198 31.823 -0.014 0.000 0.648 86 V HN 0.462 nan 8.190 nan 0.000 0.447 87 L N -0.580 120.657 121.223 0.024 0.000 2.131 87 L HA -0.237 4.105 4.340 0.004 0.000 0.210 87 L C 2.651 179.550 176.870 0.049 0.000 1.092 87 L CA 1.499 56.359 54.840 0.033 0.000 0.759 87 L CB -0.576 41.506 42.059 0.038 0.000 0.903 87 L HN 0.396 nan 8.230 nan 0.000 0.435 88 Q N -0.973 118.874 119.800 0.079 0.000 2.084 88 Q HA -0.204 4.139 4.340 0.004 0.000 0.202 88 Q C 2.515 178.578 176.000 0.104 0.000 0.978 88 Q CA 1.809 57.682 55.803 0.117 0.000 0.844 88 Q CB -0.284 28.585 28.738 0.219 0.000 0.898 88 Q HN 0.571 nan 8.270 nan 0.000 0.426 89 C N 0.551 119.890 119.300 0.065 0.000 2.413 89 C HA -0.150 4.313 4.460 0.004 0.000 0.277 89 C C 2.638 177.642 174.990 0.022 0.000 1.265 89 C CA 0.579 59.613 59.018 0.026 0.000 1.752 89 C CB -0.831 26.879 27.740 -0.051 0.000 1.998 89 C HN 0.594 nan 8.230 nan 0.000 0.489 90 M N 1.233 120.844 119.600 0.017 0.000 2.117 90 M HA -0.131 4.352 4.480 0.004 0.000 0.262 90 M C 2.150 178.463 176.300 0.022 0.000 1.065 90 M CA 1.790 57.099 55.300 0.014 0.000 1.114 90 M CB -0.934 31.672 32.600 0.010 0.000 1.361 90 M HN 0.464 nan 8.290 nan 0.000 0.408 91 E N -0.054 120.165 120.200 0.032 0.000 2.118 91 E HA -0.207 4.146 4.350 0.004 0.000 0.195 91 E C 1.757 178.375 176.600 0.031 0.000 0.992 91 E CA 1.170 57.588 56.400 0.031 0.000 0.804 91 E CB -0.129 29.594 29.700 0.037 0.000 0.741 91 E HN 0.581 nan 8.360 nan 0.000 0.458 92 R N -0.585 119.939 120.500 0.040 0.000 2.313 92 R HA 0.076 4.419 4.340 0.004 0.000 0.199 92 R C 1.089 177.406 176.300 0.029 0.000 0.958 92 R CA 0.475 56.598 56.100 0.038 0.000 1.047 92 R CB 0.460 30.794 30.300 0.057 0.000 0.955 92 R HN 0.236 nan 8.270 nan 0.000 0.481 93 G N 0.756 109.569 108.800 0.022 0.000 2.143 93 G HA2 -0.270 3.693 3.960 0.004 0.000 0.249 93 G HA3 -0.270 3.693 3.960 0.004 0.000 0.249 93 G C 0.653 175.560 174.900 0.012 0.000 0.981 93 G CA 0.033 45.142 45.100 0.015 0.000 0.665 93 G HN 0.286 nan 8.290 nan 0.000 0.528 94 L N -0.583 120.649 121.223 0.014 0.000 2.179 94 L HA 0.295 4.638 4.340 0.004 0.000 0.208 94 L C 1.489 178.359 176.870 -0.001 0.000 1.096 94 L CA 1.461 56.306 54.840 0.009 0.000 0.779 94 L CB -0.244 41.822 42.059 0.011 0.000 0.922 94 L HN 0.560 nan 8.230 nan 0.000 0.443 95 V N -5.144 114.768 119.914 -0.003 0.000 3.114 95 V HA 0.543 4.666 4.120 0.004 0.000 0.308 95 V C -1.555 174.534 176.094 -0.008 0.000 1.168 95 V CA -1.033 61.261 62.300 -0.009 0.000 1.015 95 V CB 2.727 34.540 31.823 -0.017 0.000 1.050 95 V HN -0.073 nan 8.190 nan 0.000 0.433 96 D N 1.297 121.689 120.400 -0.013 0.000 2.362 96 D HA 0.456 5.098 4.640 0.004 0.000 0.247 96 D C 0.790 177.076 176.300 -0.023 0.000 1.050 96 D CA -0.538 53.453 54.000 -0.015 0.000 0.839 96 D CB 2.395 43.187 40.800 -0.015 0.000 1.283 96 D HN 0.655 nan 8.370 nan 0.000 0.477 97 L N 1.922 123.130 121.223 -0.025 0.000 2.191 97 L HA -0.095 4.248 4.340 0.004 0.000 0.212 97 L C 1.107 177.942 176.870 -0.059 0.000 1.103 97 L CA 0.909 55.727 54.840 -0.037 0.000 0.769 97 L CB -0.016 42.024 42.059 -0.031 0.000 0.908 97 L HN 0.383 nan 8.230 nan 0.000 0.438 98 D N -0.507 119.860 120.400 -0.055 0.000 2.340 98 D HA 0.005 4.648 4.640 0.004 0.000 0.217 98 D C 0.628 176.898 176.300 -0.050 0.000 1.081 98 D CA 0.134 54.092 54.000 -0.070 0.000 0.842 98 D CB 0.291 41.055 40.800 -0.060 0.000 0.934 98 D HN 0.355 nan 8.370 nan 0.000 0.511 99 E N 1.630 121.807 120.200 -0.039 0.000 2.392 99 E HA 0.054 4.406 4.350 0.004 0.000 0.264 99 E C 0.181 176.763 176.600 -0.030 0.000 1.024 99 E CA -0.178 56.204 56.400 -0.030 0.000 0.903 99 E CB 0.795 30.480 29.700 -0.025 0.000 0.963 99 E HN 0.017 nan 8.360 nan 0.000 0.432 100 T N 0.065 114.603 114.554 -0.027 0.000 2.900 100 T HA 0.044 4.397 4.350 0.004 0.000 0.307 100 T C 1.282 175.957 174.700 -0.041 0.000 1.065 100 T CA -0.249 61.834 62.100 -0.030 0.000 1.105 100 T CB 1.240 70.088 68.868 -0.033 0.000 0.979 100 T HN 0.401 nan 8.240 nan 0.000 0.544 101 V N -1.126 118.753 119.914 -0.059 0.000 3.510 101 V HA 0.062 4.185 4.120 0.004 0.000 0.270 101 V C 1.499 177.549 176.094 -0.074 0.000 1.201 101 V CA 0.831 63.088 62.300 -0.071 0.000 1.166 101 V CB -1.104 30.652 31.823 -0.111 0.000 0.825 101 V HN 0.761 nan 8.190 nan 0.000 0.484 102 D N 1.502 121.860 120.400 -0.070 0.000 2.133 102 D HA -0.205 4.438 4.640 0.004 0.000 0.195 102 D C 2.190 178.464 176.300 -0.043 0.000 0.997 102 D CA 2.061 56.022 54.000 -0.065 0.000 0.840 102 D CB -0.280 40.486 40.800 -0.056 0.000 0.947 102 D HN 0.550 nan 8.370 nan 0.000 0.452 103 R N 0.028 120.509 120.500 -0.032 0.000 2.073 103 R HA -0.038 4.305 4.340 0.004 0.000 0.234 103 R C 1.983 178.276 176.300 -0.011 0.000 1.134 103 R CA 1.042 57.130 56.100 -0.020 0.000 0.952 103 R CB -0.139 30.151 30.300 -0.017 0.000 0.850 103 R HN 0.221 nan 8.270 nan 0.000 0.433 104 L N -0.086 121.132 121.223 -0.009 0.000 2.408 104 L HA 0.148 4.491 4.340 0.004 0.000 0.215 104 L C 0.753 177.641 176.870 0.029 0.000 1.081 104 L CA 0.180 55.025 54.840 0.008 0.000 0.840 104 L CB 0.415 42.479 42.059 0.008 0.000 1.002 104 L HN 0.143 nan 8.230 nan 0.000 0.468 105 L N 1.410 122.637 121.223 0.006 0.000 2.892 105 L HA 0.223 4.566 4.340 0.004 0.000 0.251 105 L C -1.509 175.320 176.870 -0.069 0.000 1.339 105 L CA -0.928 53.916 54.840 0.008 0.000 0.900 105 L CB 0.414 42.451 42.059 -0.037 0.000 1.246 105 L HN -0.091 nan 8.230 nan 0.000 0.524 106 P HA -0.165 nan 4.420 nan 0.000 0.222 106 P C 0.725 177.990 177.300 -0.058 0.000 1.147 106 P CA 1.158 64.228 63.100 -0.051 0.000 0.790 106 P CB 0.206 31.893 31.700 -0.021 0.000 0.780 107 D N 0.083 120.479 120.400 -0.008 0.000 2.178 107 D HA -0.149 4.493 4.640 0.004 0.000 0.202 107 D C 1.999 178.227 176.300 -0.120 0.000 0.974 107 D CA 0.646 54.663 54.000 0.030 0.000 0.841 107 D CB -1.230 39.682 40.800 0.187 0.000 0.953 107 D HN 0.125 nan 8.370 nan 0.000 0.478 108 L N 0.901 121.870 121.223 -0.423 0.000 2.044 108 L HA -0.007 4.336 4.340 0.004 0.000 0.205 108 L C 2.167 178.761 176.870 -0.459 0.000 1.075 108 L CA 1.485 55.823 54.840 -0.837 0.000 0.747 108 L CB -0.796 40.418 42.059 -1.409 0.000 0.903 108 L HN -0.102 nan 8.230 nan 0.000 0.435 109 S N 0.003 115.515 115.700 -0.314 0.000 2.400 109 S HA -0.151 4.321 4.470 0.004 0.000 0.232 109 S C 1.976 176.473 174.600 -0.172 0.000 1.025 109 S CA 1.121 59.190 58.200 -0.218 0.000 0.993 109 S CB -0.565 62.544 63.200 -0.152 0.000 0.808 109 S HN 0.657 nan 8.310 nan 0.000 0.478 110 A N 0.870 123.604 122.820 -0.143 0.000 2.119 110 A HA 0.227 4.549 4.320 0.004 0.000 0.216 110 A C 0.959 178.479 177.584 -0.107 0.000 1.152 110 A CA 0.391 52.368 52.037 -0.100 0.000 0.708 110 A CB -0.338 18.626 19.000 -0.061 0.000 0.805 110 A HN 0.402 nan 8.150 nan 0.000 0.460 111 M N 1.643 121.155 119.600 -0.147 0.000 2.228 111 M HA 0.185 4.667 4.480 0.004 0.000 0.351 111 M C -2.143 174.064 176.300 -0.155 0.000 1.233 111 M CA -1.256 53.960 55.300 -0.139 0.000 1.129 111 M CB 0.287 32.785 32.600 -0.170 0.000 1.604 111 M HN 0.083 nan 8.290 nan 0.000 0.457 112 P HA 0.287 nan 4.420 nan 0.000 0.278 112 P C -0.904 176.279 177.300 -0.194 0.000 1.266 112 P CA -0.521 62.488 63.100 -0.150 0.000 0.807 112 P CB 0.820 32.443 31.700 -0.128 0.000 1.094 113 V N 1.781 121.581 119.914 -0.191 0.000 2.383 113 V HA 0.115 4.238 4.120 0.004 0.000 0.275 113 V C 0.560 176.513 176.094 -0.236 0.000 1.036 113 V CA -0.682 61.487 62.300 -0.218 0.000 0.889 113 V CB 0.838 32.547 31.823 -0.189 0.000 0.985 113 V HN 0.390 nan 8.190 nan 0.000 0.459 114 L N 5.063 126.108 121.223 -0.297 0.000 2.360 114 L HA 0.362 4.704 4.340 0.004 0.000 0.276 114 L C 0.319 177.029 176.870 -0.268 0.000 1.121 114 L CA 0.746 55.384 54.840 -0.337 0.000 0.845 114 L CB 0.503 42.294 42.059 -0.447 0.000 1.143 114 L HN 0.814 nan 8.230 nan 0.000 0.452 115 E N 4.695 124.745 120.200 -0.249 0.000 3.374 115 E HA 0.478 4.831 4.350 0.004 0.000 0.223 115 E C 0.282 176.790 176.600 -0.153 0.000 1.210 115 E CA 0.230 56.532 56.400 -0.163 0.000 0.987 115 E CB 0.028 29.652 29.700 -0.125 0.000 1.322 115 E HN 1.007 nan 8.360 nan 0.000 0.404 116 G N 1.916 110.628 108.800 -0.147 0.000 2.562 116 G HA2 -0.307 3.655 3.960 0.004 0.000 0.250 116 G HA3 -0.307 3.655 3.960 0.004 0.000 0.250 116 G C -0.552 174.182 174.900 -0.278 0.000 1.269 116 G CA 0.034 45.110 45.100 -0.041 0.000 0.919 116 G HN 0.376 nan 8.290 nan 0.000 0.574 117 F N -0.408 119.554 119.950 0.020 0.000 2.664 117 F HA 0.537 5.067 4.527 0.004 0.000 0.317 117 F C 0.277 176.091 175.800 0.025 0.000 1.108 117 F CA -0.617 57.400 58.000 0.028 0.000 0.957 117 F CB 1.684 40.711 39.000 0.046 0.000 1.365 117 F HN 0.512 nan 8.300 nan 0.000 0.475 118 D N 0.588 121.125 120.400 0.228 0.000 2.363 118 D HA 0.163 4.806 4.640 0.004 0.000 0.240 118 D C 1.033 177.405 176.300 0.120 0.000 1.236 118 D CA 1.019 55.098 54.000 0.132 0.000 0.927 118 D CB 0.661 41.527 40.800 0.111 0.000 1.150 118 D HN 0.769 nan 8.370 nan 0.000 0.458 119 D N 0.031 120.478 120.400 0.077 0.000 2.178 119 D HA -0.054 4.589 4.640 0.004 0.000 0.202 119 D C 1.727 178.060 176.300 0.055 0.000 0.974 119 D CA 1.761 55.796 54.000 0.059 0.000 0.841 119 D CB -0.232 40.593 40.800 0.042 0.000 0.953 119 D HN 0.384 nan 8.370 nan 0.000 0.478 120 A N -1.000 121.856 122.820 0.060 0.000 1.897 120 A HA 0.457 4.780 4.320 0.004 0.000 0.215 120 A C 2.444 180.066 177.584 0.065 0.000 1.181 120 A CA 2.146 54.215 52.037 0.054 0.000 0.620 120 A CB -0.075 18.957 19.000 0.053 0.000 0.821 120 A HN 1.589 nan 8.150 nan 0.000 0.443 121 G N -1.655 107.209 108.800 0.107 0.000 2.234 121 G HA2 -0.129 3.834 3.960 0.004 0.000 0.153 121 G HA3 -0.129 3.834 3.960 0.004 0.000 0.153 121 G C -0.360 174.689 174.900 0.249 0.000 1.013 121 G CA -0.035 45.144 45.100 0.131 0.000 0.712 121 G HN 0.451 nan 8.290 nan 0.000 0.491 122 N N 0.983 119.823 118.700 0.234 0.000 2.415 122 N HA 0.527 5.270 4.740 0.004 0.000 0.248 122 N C 0.612 176.324 175.510 0.336 0.000 1.271 122 N CA 0.671 53.882 53.050 0.269 0.000 0.913 122 N CB 0.703 39.288 38.487 0.164 0.000 1.129 122 N HN 0.718 nan 8.380 nan 0.000 0.444 123 A N 1.021 124.008 122.820 0.278 0.000 2.491 123 A HA 0.169 4.492 4.320 0.004 0.000 0.261 123 A C 0.426 177.935 177.584 -0.125 0.000 1.101 123 A CA -0.116 51.890 52.037 -0.051 0.000 0.772 123 A CB -0.264 18.579 19.000 -0.261 0.000 1.043 123 A HN 0.646 nan 8.150 nan 0.000 0.501 124 R N 3.273 123.610 120.500 -0.273 0.000 2.215 124 R HA 0.584 4.926 4.340 0.004 0.000 0.336 124 R C -1.173 174.996 176.300 -0.219 0.000 0.996 124 R CA -0.275 55.718 56.100 -0.179 0.000 0.847 124 R CB 0.253 30.472 30.300 -0.135 0.000 1.127 124 R HN 0.740 nan 8.270 nan 0.000 0.465 125 L N 4.359 125.489 121.223 -0.155 0.000 2.313 125 L HA 0.719 5.062 4.340 0.004 0.000 0.268 125 L C 0.002 176.801 176.870 -0.118 0.000 1.010 125 L CA -1.130 53.615 54.840 -0.157 0.000 0.814 125 L CB 1.883 43.863 42.059 -0.133 0.000 1.304 125 L HN 0.697 nan 8.230 nan 0.000 0.441 126 R N -0.743 119.683 120.500 -0.123 0.000 2.766 126 R HA 0.522 4.865 4.340 0.004 0.000 0.270 126 R C -1.331 174.907 176.300 -0.104 0.000 1.035 126 R CA -0.993 55.047 56.100 -0.099 0.000 0.911 126 R CB 1.484 31.728 30.300 -0.093 0.000 1.243 126 R HN 0.460 nan 8.270 nan 0.000 0.460 127 E N 1.258 121.405 120.200 -0.089 0.000 2.313 127 E HA 0.126 4.479 4.350 0.004 0.000 0.276 127 E C -0.570 175.967 176.600 -0.105 0.000 1.031 127 E CA -0.709 55.636 56.400 -0.093 0.000 0.857 127 E CB 1.047 30.702 29.700 -0.075 0.000 1.040 127 E HN 0.366 nan 8.360 nan 0.000 0.408 128 R N 3.336 123.763 120.500 -0.121 0.000 2.570 128 R HA 0.028 4.370 4.340 0.004 0.000 0.277 128 R C -0.457 175.775 176.300 -0.114 0.000 1.039 128 R CA 0.231 56.250 56.100 -0.135 0.000 1.065 128 R CB 0.482 30.686 30.300 -0.160 0.000 0.964 128 R HN 0.500 nan 8.270 nan 0.000 0.428 129 R N 2.952 123.384 120.500 -0.113 0.000 2.229 129 R HA 0.347 4.689 4.340 0.004 0.000 0.332 129 R C -0.087 176.151 176.300 -0.102 0.000 0.989 129 R CA 0.143 56.187 56.100 -0.094 0.000 0.842 129 R CB 1.625 31.876 30.300 -0.081 0.000 1.119 129 R HN 0.995 nan 8.270 nan 0.000 0.456 130 G N 2.517 111.265 108.800 -0.088 0.000 2.707 130 G HA2 -0.185 3.778 3.960 0.004 0.000 0.686 130 G HA3 -0.185 3.778 3.960 0.004 0.000 0.686 130 G C -1.180 173.660 174.900 -0.100 0.000 1.315 130 G CA -1.010 44.041 45.100 -0.083 0.000 0.832 130 G HN 0.346 nan 8.290 nan 0.000 0.573 131 K N -0.049 120.306 120.400 -0.075 0.000 2.159 131 K HA 0.572 4.895 4.320 0.004 0.000 0.266 131 K C 0.598 177.157 176.600 -0.069 0.000 0.975 131 K CA -0.800 55.444 56.287 -0.073 0.000 0.865 131 K CB 1.758 34.235 32.500 -0.038 0.000 1.087 131 K HN 0.525 nan 8.250 nan 0.000 0.446 132 I N 2.351 122.855 120.570 -0.110 0.000 2.556 132 I HA -0.007 4.166 4.170 0.004 0.000 0.284 132 I C 1.165 177.313 176.117 0.051 0.000 1.114 132 I CA 0.189 61.447 61.300 -0.069 0.000 1.418 132 I CB 0.650 38.541 38.000 -0.180 0.000 1.394 132 I HN 0.643 nan 8.210 nan 0.000 0.552 133 T N 3.025 117.724 114.554 0.243 0.000 2.949 133 T HA 0.302 4.655 4.350 0.004 0.000 0.287 133 T C 0.665 175.361 174.700 -0.007 0.000 1.034 133 T CA -0.853 61.279 62.100 0.053 0.000 1.018 133 T CB 1.569 70.404 68.868 -0.054 0.000 1.135 133 T HN 0.375 nan 8.240 nan 0.000 0.532 134 L N 0.563 121.759 121.223 -0.046 0.000 2.083 134 L HA 0.164 4.506 4.340 0.004 0.000 0.209 134 L C 2.779 179.611 176.870 -0.064 0.000 1.083 134 L CA 1.661 56.472 54.840 -0.047 0.000 0.752 134 L CB -1.088 40.948 42.059 -0.039 0.000 0.899 134 L HN 0.836 nan 8.230 nan 0.000 0.433 135 R N -1.721 118.712 120.500 -0.111 0.000 2.115 135 R HA -0.166 4.176 4.340 0.004 0.000 0.230 135 R C 2.217 178.438 176.300 -0.131 0.000 1.111 135 R CA 1.498 57.521 56.100 -0.129 0.000 0.976 135 R CB -0.245 29.950 30.300 -0.175 0.000 0.870 135 R HN 0.550 nan 8.270 nan 0.000 0.445 136 H N -0.230 118.796 119.070 -0.074 0.000 2.387 136 H HA -0.097 4.462 4.556 0.005 0.000 0.299 136 H C 2.040 177.265 175.328 -0.173 0.000 1.090 136 H CA 1.610 57.591 56.048 -0.112 0.000 1.332 136 H CB 0.074 29.760 29.762 -0.127 0.000 1.386 136 H HN 0.141 nan 8.280 nan 0.000 0.516 137 L N 0.123 121.317 121.223 -0.049 0.000 2.056 137 L HA -0.165 4.178 4.340 0.004 0.000 0.207 137 L C 2.042 178.774 176.870 -0.231 0.000 1.078 137 L CA 0.910 55.660 54.840 -0.151 0.000 0.749 137 L CB -0.313 41.692 42.059 -0.089 0.000 0.901 137 L HN 0.322 nan 8.230 nan 0.000 0.433 138 L N -0.437 120.712 121.223 -0.123 0.000 2.291 138 L HA -0.104 4.239 4.340 0.004 0.000 0.214 138 L C 2.163 179.030 176.870 -0.006 0.000 1.120 138 L CA 1.469 56.268 54.840 -0.068 0.000 0.799 138 L CB -0.615 41.448 42.059 0.007 0.000 0.925 138 L HN 0.448 nan 8.230 nan 0.000 0.446 139 T N -5.929 108.596 114.554 -0.048 0.000 3.092 139 T HA 0.076 4.429 4.350 0.004 0.000 0.258 139 T C 0.564 175.113 174.700 -0.251 0.000 1.031 139 T CA -0.389 61.734 62.100 0.038 0.000 0.925 139 T CB -0.086 68.877 68.868 0.159 0.000 1.036 139 T HN 0.283 nan 8.240 nan 0.000 0.544 140 H N 1.602 120.428 119.070 -0.408 0.000 2.770 140 H HA -0.132 4.426 4.556 0.004 0.000 0.309 140 H C 0.439 175.370 175.328 -0.662 0.000 1.206 140 H CA 1.296 56.941 56.048 -0.673 0.000 1.147 140 H CB -2.170 26.913 29.762 -1.133 0.000 1.422 140 H HN 0.742 nan 8.280 nan 0.000 0.420 141 T N -3.816 110.590 114.554 -0.248 0.000 3.252 141 T HA 0.209 4.562 4.350 0.004 0.000 0.286 141 T C 1.527 176.113 174.700 -0.191 0.000 1.013 141 T CA 0.258 62.274 62.100 -0.140 0.000 0.914 141 T CB 0.294 69.207 68.868 0.074 0.000 1.131 141 T HN 0.337 nan 8.240 nan 0.000 0.529 142 S N 0.594 116.145 115.700 -0.248 0.000 2.470 142 S HA 0.432 4.905 4.470 0.004 0.000 0.225 142 S C 2.089 176.495 174.600 -0.324 0.000 1.006 142 S CA 0.691 58.711 58.200 -0.299 0.000 0.934 142 S CB -0.489 62.557 63.200 -0.257 0.000 0.778 142 S HN 1.308 nan 8.310 nan 0.000 0.517 143 G N 0.639 109.258 108.800 -0.302 0.000 2.213 143 G HA2 -0.180 3.783 3.960 0.004 0.000 0.226 143 G HA3 -0.180 3.783 3.960 0.004 0.000 0.226 143 G C -0.067 174.644 174.900 -0.315 0.000 0.992 143 G CA 0.000 44.926 45.100 -0.290 0.000 0.632 143 G HN 0.502 nan 8.290 nan 0.000 0.511 144 L N 1.373 122.402 121.223 -0.324 0.000 2.397 144 L HA 0.661 5.003 4.340 0.004 0.000 0.271 144 L C 0.917 177.557 176.870 -0.384 0.000 1.148 144 L CA 0.192 54.833 54.840 -0.332 0.000 0.825 144 L CB 1.529 43.414 42.059 -0.289 0.000 1.117 144 L HN 0.256 nan 8.230 nan 0.000 0.456 145 S N 0.879 116.340 115.700 -0.398 0.000 2.921 145 S HA 0.617 5.090 4.470 0.004 0.000 0.315 145 S C -1.391 172.927 174.600 -0.469 0.000 1.087 145 S CA -0.430 57.533 58.200 -0.395 0.000 0.877 145 S CB 0.982 63.988 63.200 -0.325 0.000 1.340 145 S HN 0.304 nan 8.310 nan 0.000 0.622 146 Y N 0.305 120.400 120.300 -0.342 0.000 2.446 146 Y HA 0.433 4.985 4.550 0.004 0.000 0.345 146 Y C 1.104 176.763 175.900 -0.401 0.000 0.984 146 Y CA -0.782 57.019 58.100 -0.498 0.000 1.058 146 Y CB 1.466 39.347 38.460 -0.965 0.000 1.220 146 Y HN 0.340 nan 8.280 nan 0.000 0.455 147 V N 2.842 122.713 119.914 -0.072 0.000 2.332 147 V HA -0.351 3.772 4.120 0.004 0.000 0.248 147 V C 1.910 178.045 176.094 0.069 0.000 1.055 147 V CA 2.545 64.868 62.300 0.038 0.000 1.038 147 V CB -0.785 31.119 31.823 0.135 0.000 0.651 147 V HN 0.847 nan 8.190 nan 0.000 0.450 148 F N -1.408 118.622 119.950 0.134 0.000 2.502 148 F HA 0.048 4.577 4.527 0.004 0.000 0.298 148 F C 1.870 177.745 175.800 0.124 0.000 1.111 148 F CA 1.162 59.222 58.000 0.100 0.000 1.445 148 F CB -0.696 38.330 39.000 0.043 0.000 1.081 148 F HN 0.052 nan 8.300 nan 0.000 0.558 149 L N -1.002 120.157 121.223 -0.107 0.000 2.286 149 L HA 0.118 4.460 4.340 0.004 0.000 0.203 149 L C 0.818 177.771 176.870 0.137 0.000 1.068 149 L CA 0.214 55.091 54.840 0.062 0.000 0.811 149 L CB -0.173 41.885 42.059 -0.001 0.000 0.989 149 L HN 0.183 nan 8.230 nan 0.000 0.467 150 H N 1.086 120.166 119.070 0.018 0.000 2.473 150 H HA 0.160 4.718 4.556 0.004 0.000 0.327 150 H C -1.842 173.527 175.328 0.067 0.000 1.105 150 H CA -1.966 54.105 56.048 0.038 0.000 1.280 150 H CB 2.171 31.920 29.762 -0.022 0.000 1.450 150 H HN -0.105 nan 8.280 nan 0.000 0.492 151 P HA -0.162 nan 4.420 nan 0.000 0.215 151 P C 1.835 179.261 177.300 0.209 0.000 1.157 151 P CA 0.926 64.048 63.100 0.038 0.000 0.868 151 P CB 0.532 32.197 31.700 -0.058 0.000 0.788 152 L N -1.216 120.221 121.223 0.356 0.000 2.042 152 L HA -0.169 4.173 4.340 0.004 0.000 0.210 152 L C 2.807 179.884 176.870 0.345 0.000 1.076 152 L CA 1.431 56.510 54.840 0.399 0.000 0.749 152 L CB -0.952 41.287 42.059 0.300 0.000 0.893 152 L HN -0.078 nan 8.230 nan 0.000 0.432 153 L N -1.113 120.272 121.223 0.270 0.000 2.179 153 L HA -0.099 4.244 4.340 0.004 0.000 0.208 153 L C 2.766 179.791 176.870 0.259 0.000 1.096 153 L CA 0.703 55.652 54.840 0.182 0.000 0.779 153 L CB -0.400 41.688 42.059 0.049 0.000 0.922 153 L HN 0.180 nan 8.230 nan 0.000 0.443 154 R N 0.106 120.743 120.500 0.229 0.000 2.096 154 R HA -0.217 4.126 4.340 0.004 0.000 0.235 154 R C 2.172 178.592 176.300 0.200 0.000 1.127 154 R CA 1.535 57.753 56.100 0.196 0.000 0.968 154 R CB -0.157 30.238 30.300 0.157 0.000 0.861 154 R HN 0.221 nan 8.270 nan 0.000 0.440 155 E N 0.083 120.419 120.200 0.227 0.000 2.106 155 E HA -0.186 4.167 4.350 0.004 0.000 0.192 155 E C 1.587 178.376 176.600 0.316 0.000 0.984 155 E CA 1.076 57.583 56.400 0.178 0.000 0.806 155 E CB -0.240 29.496 29.700 0.061 0.000 0.750 155 E HN 0.345 nan 8.360 nan 0.000 0.458 156 Y N 0.097 120.579 120.300 0.304 0.000 2.114 156 Y HA -0.292 4.260 4.550 0.004 0.000 0.282 156 Y C 2.406 178.484 175.900 0.296 0.000 1.165 156 Y CA 2.256 60.533 58.100 0.296 0.000 1.148 156 Y CB -0.137 38.404 38.460 0.134 0.000 0.972 156 Y HN 0.140 nan 8.280 nan 0.000 0.504 157 M N -0.697 119.086 119.600 0.306 0.000 2.132 157 M HA -0.165 4.317 4.480 0.004 0.000 0.263 157 M C 2.280 178.649 176.300 0.115 0.000 1.065 157 M CA 1.827 57.236 55.300 0.183 0.000 1.122 157 M CB -0.204 32.504 32.600 0.179 0.000 1.365 157 M HN 0.350 nan 8.290 nan 0.000 0.411 158 A N -0.066 122.825 122.820 0.119 0.000 1.933 158 A HA -0.186 4.137 4.320 0.004 0.000 0.218 158 A C 1.941 179.548 177.584 0.038 0.000 1.175 158 A CA 1.417 53.493 52.037 0.065 0.000 0.628 158 A CB -0.642 18.389 19.000 0.051 0.000 0.814 158 A HN 0.635 nan 8.150 nan 0.000 0.444 159 Q N -1.738 118.109 119.800 0.079 0.000 2.435 159 Q HA 0.093 4.436 4.340 0.004 0.000 0.207 159 Q C 1.189 177.124 176.000 -0.109 0.000 0.956 159 Q CA 0.917 56.747 55.803 0.045 0.000 0.917 159 Q CB 0.128 29.017 28.738 0.251 0.000 0.997 159 Q HN 1.021 nan 8.270 nan 0.000 0.497 160 G N 0.061 108.812 108.800 -0.082 0.000 2.134 160 G HA2 -0.270 3.693 3.960 0.004 0.000 0.209 160 G HA3 -0.270 3.693 3.960 0.004 0.000 0.209 160 G C 0.299 175.052 174.900 -0.244 0.000 0.993 160 G CA 0.024 45.031 45.100 -0.156 0.000 0.669 160 G HN 0.371 nan 8.290 nan 0.000 0.519 161 Y N -0.254 119.866 120.300 -0.299 0.000 2.561 161 Y HA 0.389 4.942 4.550 0.004 0.000 0.291 161 Y C 2.381 178.162 175.900 -0.199 0.000 1.141 161 Y CA 1.148 59.000 58.100 -0.413 0.000 1.303 161 Y CB 0.253 38.013 38.460 -1.167 0.000 1.015 161 Y HN 0.356 nan 8.280 nan 0.000 0.547 162 L N 0.105 121.350 121.223 0.036 0.000 3.069 162 L HA 0.079 4.422 4.340 0.004 0.000 0.271 162 L C 1.956 178.862 176.870 0.060 0.000 1.201 162 L CA -0.036 54.867 54.840 0.104 0.000 1.015 162 L CB 0.094 42.262 42.059 0.182 0.000 1.371 162 L HN 0.219 nan 8.230 nan 0.000 0.574 163 Q N 0.258 120.068 119.800 0.016 0.000 2.124 163 Q HA -0.179 4.164 4.340 0.004 0.000 0.202 163 Q C 1.701 177.704 176.000 0.005 0.000 0.977 163 Q CA 2.037 57.843 55.803 0.005 0.000 0.850 163 Q CB -0.366 28.359 28.738 -0.023 0.000 0.901 163 Q HN 0.445 nan 8.270 nan 0.000 0.429 164 S N -0.616 115.087 115.700 0.005 0.000 2.605 164 S HA 0.472 4.945 4.470 0.004 0.000 0.217 164 S C 1.106 175.715 174.600 0.015 0.000 0.958 164 S CA -0.138 58.062 58.200 0.000 0.000 0.919 164 S CB 0.774 63.970 63.200 -0.005 0.000 0.780 164 S HN 0.456 nan 8.310 nan 0.000 0.507 165 A N 1.553 124.395 122.820 0.038 0.000 2.797 165 A HA 0.484 4.807 4.320 0.004 0.000 0.287 165 A C 0.319 177.936 177.584 0.055 0.000 1.369 165 A CA -0.645 51.425 52.037 0.055 0.000 0.968 165 A CB -0.445 18.606 19.000 0.084 0.000 1.069 165 A HN 0.775 nan 8.150 nan 0.000 0.571 166 E N -1.733 118.484 120.200 0.028 0.000 2.336 166 E HA 0.819 5.172 4.350 0.004 0.000 0.267 166 E C -0.608 175.970 176.600 -0.037 0.000 0.906 166 E CA -0.834 55.582 56.400 0.026 0.000 0.781 166 E CB 1.321 31.035 29.700 0.024 0.000 1.261 166 E HN 0.081 nan 8.360 nan 0.000 0.436 167 K N 1.696 122.073 120.400 -0.038 0.000 2.615 167 K HA 0.482 4.805 4.320 0.004 0.000 0.249 167 K C -0.545 175.981 176.600 -0.123 0.000 0.977 167 K CA -0.588 55.552 56.287 -0.244 0.000 0.833 167 K CB -0.007 32.356 32.500 -0.227 0.000 1.208 167 K HN 0.679 nan 8.250 nan 0.000 0.443 168 F N 0.591 120.567 119.950 0.042 0.000 3.084 168 F HA -0.218 4.312 4.527 0.005 0.000 0.286 168 F C 1.547 177.359 175.800 0.020 0.000 0.855 168 F CA 1.837 59.857 58.000 0.033 0.000 1.091 168 F CB -1.895 37.130 39.000 0.042 0.000 1.177 168 F HN 1.814 nan 8.300 nan 0.000 0.542 169 G N -0.677 108.184 108.800 0.102 0.000 2.176 169 G HA2 -0.313 3.650 3.960 0.004 0.000 0.253 169 G HA3 -0.313 3.650 3.960 0.004 0.000 0.253 169 G C 0.123 175.041 174.900 0.030 0.000 0.979 169 G CA -0.026 45.101 45.100 0.046 0.000 0.641 169 G HN 0.547 nan 8.290 nan 0.000 0.530 170 I N 1.442 122.074 120.570 0.104 0.000 2.330 170 I HA 0.288 4.461 4.170 0.004 0.000 0.289 170 I C 0.669 176.887 176.117 0.170 0.000 1.001 170 I CA -0.582 60.812 61.300 0.157 0.000 1.193 170 I CB 1.597 39.772 38.000 0.292 0.000 1.345 170 I HN 0.184 nan 8.210 nan 0.000 0.461 171 Q N 4.320 124.206 119.800 0.143 0.000 2.332 171 Q HA 0.112 4.455 4.340 0.004 0.000 0.263 171 Q C 0.181 176.233 176.000 0.087 0.000 0.979 171 Q CA -0.070 55.801 55.803 0.113 0.000 0.885 171 Q CB 1.078 29.881 28.738 0.108 0.000 1.218 171 Q HN 0.702 nan 8.270 nan 0.000 0.405 172 S N 2.689 118.435 115.700 0.076 0.000 2.549 172 S HA 0.059 4.531 4.470 0.004 0.000 0.286 172 S C 0.644 175.108 174.600 -0.228 0.000 1.314 172 S CA -0.350 57.853 58.200 0.006 0.000 1.062 172 S CB 0.456 63.711 63.200 0.091 0.000 0.865 172 S HN 0.635 nan 8.310 nan 0.000 0.498 173 R N 3.808 123.894 120.500 -0.691 0.000 2.317 173 R HA 0.255 4.598 4.340 0.004 0.000 0.208 173 R C 1.065 177.114 176.300 -0.417 0.000 0.914 173 R CA 0.360 56.121 56.100 -0.566 0.000 1.060 173 R CB -0.549 29.266 30.300 -0.810 0.000 1.015 173 R HN 0.670 nan 8.270 nan 0.000 0.498 174 L N -1.074 119.946 121.223 -0.338 0.000 2.515 174 L HA 0.267 4.610 4.340 0.004 0.000 0.223 174 L C 2.107 179.018 176.870 0.069 0.000 1.079 174 L CA 0.422 55.082 54.840 -0.299 0.000 0.857 174 L CB -0.287 41.455 42.059 -0.529 0.000 1.050 174 L HN -0.007 nan 8.230 nan 0.000 0.476 175 A N 0.693 123.541 122.820 0.047 0.000 1.873 175 A HA 0.044 4.367 4.320 0.004 0.000 0.215 175 A C -1.277 176.376 177.584 0.115 0.000 1.186 175 A CA 0.772 52.875 52.037 0.109 0.000 0.616 175 A CB -1.667 17.398 19.000 0.107 0.000 0.823 175 A HN 0.202 nan 8.150 nan 0.000 0.442 176 P HA 0.249 nan 4.420 nan 0.000 0.271 176 P C -2.491 174.738 177.300 -0.118 0.000 1.218 176 P CA -1.155 61.933 63.100 -0.019 0.000 0.780 176 P CB 0.317 31.994 31.700 -0.039 0.000 0.901 177 P HA 0.204 nan 4.420 nan 0.000 0.276 177 P C -0.723 176.385 177.300 -0.321 0.000 1.261 177 P CA -0.395 62.527 63.100 -0.296 0.000 0.800 177 P CB 0.597 32.057 31.700 -0.401 0.000 1.066 178 A N 0.690 123.332 122.820 -0.296 0.000 2.366 178 A HA 0.314 4.637 4.320 0.004 0.000 0.249 178 A C 1.106 178.482 177.584 -0.347 0.000 1.084 178 A CA 0.087 51.936 52.037 -0.313 0.000 0.794 178 A CB -0.222 18.605 19.000 -0.289 0.000 1.034 178 A HN 0.459 nan 8.150 nan 0.000 0.491 179 V N -1.603 118.085 119.914 -0.376 0.000 3.477 179 V HA 0.362 4.485 4.120 0.004 0.000 0.297 179 V C 0.227 176.159 176.094 -0.271 0.000 1.433 179 V CA 0.403 62.466 62.300 -0.395 0.000 1.052 179 V CB -0.985 30.411 31.823 -0.713 0.000 0.895 179 V HN 0.776 nan 8.190 nan 0.000 0.438 180 N N -0.321 118.231 118.700 -0.246 0.000 3.106 180 N HA 0.305 5.048 4.740 0.004 0.000 0.253 180 N C -1.911 173.477 175.510 -0.203 0.000 1.506 180 N CA -0.348 52.588 53.050 -0.189 0.000 0.876 180 N CB 2.185 40.579 38.487 -0.156 0.000 1.452 180 N HN 0.164 nan 8.380 nan 0.000 0.542 181 D N 0.941 121.235 120.400 -0.178 0.000 2.283 181 D HA 0.347 4.990 4.640 0.004 0.000 0.248 181 D C -2.113 174.040 176.300 -0.246 0.000 1.072 181 D CA -0.784 53.099 54.000 -0.195 0.000 0.929 181 D CB 0.741 41.450 40.800 -0.152 0.000 1.182 181 D HN 0.273 nan 8.370 nan 0.000 0.433 182 P HA 0.080 nan 4.420 nan 0.000 0.268 182 P C 0.835 177.862 177.300 -0.454 0.000 1.204 182 P CA 0.238 63.016 63.100 -0.537 0.000 0.768 182 P CB 0.775 32.028 31.700 -0.745 0.000 0.842 183 G N 2.502 111.080 108.800 -0.370 0.000 2.225 183 G HA2 -0.351 3.612 3.960 0.004 0.000 0.254 183 G HA3 -0.351 3.612 3.960 0.004 0.000 0.254 183 G C 1.103 175.973 174.900 -0.049 0.000 0.988 183 G CA 0.524 45.575 45.100 -0.082 0.000 0.625 183 G HN 0.700 nan 8.290 nan 0.000 0.527 184 A N 0.331 123.095 122.820 -0.092 0.000 1.897 184 A HA 0.493 4.816 4.320 0.004 0.000 0.215 184 A C 1.026 178.595 177.584 -0.025 0.000 1.181 184 A CA 2.099 54.102 52.037 -0.057 0.000 0.620 184 A CB -0.152 18.800 19.000 -0.080 0.000 0.821 184 A HN 1.388 nan 8.150 nan 0.000 0.443 185 E N -3.700 116.478 120.200 -0.035 0.000 2.407 185 E HA 0.336 4.689 4.350 0.004 0.000 0.279 185 E C -1.373 175.236 176.600 0.015 0.000 1.012 185 E CA -1.045 55.363 56.400 0.014 0.000 0.800 185 E CB 0.236 29.941 29.700 0.007 0.000 1.276 185 E HN 0.264 nan 8.360 nan 0.000 0.452 186 W N 3.290 124.536 121.300 -0.090 0.000 2.356 186 W HA 0.458 5.120 4.660 0.003 0.000 0.311 186 W C -1.049 175.370 176.519 -0.166 0.000 1.328 186 W CA -0.007 57.263 57.345 -0.125 0.000 1.251 186 W CB 0.409 29.796 29.460 -0.123 0.000 1.280 186 W HN 0.421 nan 8.180 nan 0.000 0.524 187 I N 8.069 128.206 120.570 -0.721 0.000 2.548 187 I HA 0.060 4.232 4.170 0.004 0.000 0.287 187 I C -1.007 174.590 176.117 -0.867 0.000 1.103 187 I CA -1.346 59.589 61.300 -0.608 0.000 1.049 187 I CB 1.262 39.062 38.000 -0.332 0.000 1.232 187 I HN 0.210 nan 8.210 nan 0.000 0.429 188 Y N 5.614 125.354 120.300 -0.934 0.000 2.569 188 Y HA 0.571 5.123 4.550 0.004 0.000 0.332 188 Y C 0.456 176.130 175.900 -0.377 0.000 1.120 188 Y CA 0.186 57.864 58.100 -0.702 0.000 1.416 188 Y CB 0.544 38.963 38.460 -0.067 0.000 1.210 188 Y HN 0.682 nan 8.280 nan 0.000 0.528 189 G N 2.132 110.490 108.800 -0.736 0.000 2.731 189 G HA2 0.215 4.178 3.960 0.004 0.000 0.309 189 G HA3 0.215 4.178 3.960 0.004 0.000 0.309 189 G C -0.181 173.992 174.900 -1.211 0.000 1.273 189 G CA -0.241 44.151 45.100 -1.181 0.000 0.798 189 G HN 0.540 nan 8.290 nan 0.000 0.509 190 T N -0.654 113.318 114.554 -0.971 0.000 3.439 190 T HA 0.077 4.429 4.350 0.004 0.000 0.251 190 T C 1.364 175.956 174.700 -0.179 0.000 1.108 190 T CA 0.419 62.212 62.100 -0.512 0.000 0.982 190 T CB -0.335 68.334 68.868 -0.332 0.000 1.024 190 T HN 0.329 nan 8.240 nan 0.000 0.573 191 N N 1.553 120.117 118.700 -0.226 0.000 2.094 191 N HA -0.068 4.675 4.740 0.004 0.000 0.191 191 N C 1.445 176.913 175.510 -0.070 0.000 1.023 191 N CA 1.018 53.969 53.050 -0.165 0.000 0.857 191 N CB -0.169 38.058 38.487 -0.434 0.000 1.013 191 N HN 0.334 nan 8.380 nan 0.000 0.426 192 L N 1.564 122.742 121.223 -0.075 0.000 2.313 192 L HA -0.030 4.313 4.340 0.004 0.000 0.214 192 L C 1.608 178.511 176.870 0.054 0.000 1.119 192 L CA 1.158 56.006 54.840 0.013 0.000 0.809 192 L CB -0.960 41.145 42.059 0.078 0.000 0.933 192 L HN 0.120 nan 8.230 nan 0.000 0.449 193 D N -1.019 119.389 120.400 0.013 0.000 2.117 193 D HA -0.221 4.421 4.640 0.004 0.000 0.198 193 D C 2.109 178.354 176.300 -0.091 0.000 0.982 193 D CA 1.195 55.180 54.000 -0.025 0.000 0.828 193 D CB -0.072 40.620 40.800 -0.181 0.000 0.967 193 D HN 0.359 nan 8.370 nan 0.000 0.464 194 W N 1.791 123.069 121.300 -0.036 0.000 2.388 194 W HA -0.050 4.612 4.660 0.004 0.000 0.294 194 W C 2.749 179.241 176.519 -0.045 0.000 1.212 194 W CA 0.976 58.293 57.345 -0.045 0.000 1.271 194 W CB -0.238 29.167 29.460 -0.091 0.000 1.126 194 W HN -0.060 nan 8.180 nan 0.000 0.535 195 A N 0.446 123.363 122.820 0.162 0.000 1.933 195 A HA -0.079 4.244 4.320 0.004 0.000 0.218 195 A C 2.214 179.820 177.584 0.037 0.000 1.175 195 A CA 1.918 53.999 52.037 0.073 0.000 0.628 195 A CB -1.517 17.498 19.000 0.027 0.000 0.814 195 A HN 0.322 nan 8.150 nan 0.000 0.444 196 G N -0.227 108.594 108.800 0.036 0.000 2.440 196 G HA2 -0.238 3.724 3.960 0.004 0.000 0.218 196 G HA3 -0.238 3.724 3.960 0.004 0.000 0.218 196 G C 1.637 176.514 174.900 -0.038 0.000 1.154 196 G CA 1.074 46.171 45.100 -0.004 0.000 0.767 196 G HN 0.404 nan 8.290 nan 0.000 0.552 197 K N 0.060 120.451 120.400 -0.015 0.000 2.097 197 K HA 0.038 4.361 4.320 0.004 0.000 0.206 197 K C 2.433 179.044 176.600 0.018 0.000 1.049 197 K CA 0.640 56.918 56.287 -0.014 0.000 0.933 197 K CB -0.614 31.888 32.500 0.003 0.000 0.717 197 K HN 0.421 nan 8.250 nan 0.000 0.442 198 L N 0.929 122.182 121.223 0.050 0.000 2.046 198 L HA -0.182 4.160 4.340 0.004 0.000 0.208 198 L C 2.143 178.991 176.870 -0.037 0.000 1.077 198 L CA 1.038 55.893 54.840 0.025 0.000 0.747 198 L CB -0.177 41.902 42.059 0.034 0.000 0.896 198 L HN -0.150 nan 8.230 nan 0.000 0.432 199 V N 0.207 120.071 119.914 -0.083 0.000 2.287 199 V HA -0.307 3.816 4.120 0.004 0.000 0.248 199 V C 2.429 178.430 176.094 -0.155 0.000 1.053 199 V CA 2.243 64.434 62.300 -0.182 0.000 1.027 199 V CB -0.667 30.979 31.823 -0.294 0.000 0.646 199 V HN 0.519 nan 8.190 nan 0.000 0.447 200 E N -0.176 119.960 120.200 -0.105 0.000 2.118 200 E HA -0.236 4.117 4.350 0.004 0.000 0.195 200 E C 2.465 179.043 176.600 -0.037 0.000 0.992 200 E CA 1.296 57.656 56.400 -0.068 0.000 0.804 200 E CB -0.176 29.482 29.700 -0.070 0.000 0.741 200 E HN 0.565 nan 8.360 nan 0.000 0.458 201 R N 0.293 120.776 120.500 -0.027 0.000 2.075 201 R HA 0.032 4.375 4.340 0.004 0.000 0.226 201 R C 2.366 178.660 176.300 -0.009 0.000 1.114 201 R CA 0.915 57.010 56.100 -0.008 0.000 0.972 201 R CB -0.181 30.123 30.300 0.008 0.000 0.869 201 R HN 0.073 nan 8.270 nan 0.000 0.437 202 A N 0.728 123.535 122.820 -0.022 0.000 1.972 202 A HA -0.150 4.172 4.320 0.004 0.000 0.219 202 A C 2.123 179.704 177.584 -0.005 0.000 1.169 202 A CA 1.985 54.011 52.037 -0.018 0.000 0.635 202 A CB -0.566 18.414 19.000 -0.034 0.000 0.810 202 A HN 0.485 nan 8.150 nan 0.000 0.446 203 T N -5.314 109.235 114.554 -0.007 0.000 3.014 203 T HA 0.398 4.751 4.350 0.004 0.000 0.250 203 T C 1.465 176.194 174.700 0.048 0.000 1.060 203 T CA 1.110 63.235 62.100 0.042 0.000 1.040 203 T CB 0.060 68.982 68.868 0.090 0.000 0.971 203 T HN 1.663 nan 8.240 nan 0.000 0.497 204 G N 1.473 110.289 108.800 0.026 0.000 2.153 204 G HA2 -0.201 3.762 3.960 0.004 0.000 0.252 204 G HA3 -0.201 3.762 3.960 0.004 0.000 0.252 204 G C -0.135 174.786 174.900 0.034 0.000 0.994 204 G CA 0.513 45.628 45.100 0.024 0.000 0.698 204 G HN 0.651 nan 8.290 nan 0.000 0.521 205 L N 0.589 121.842 121.223 0.051 0.000 2.333 205 L HA 0.529 4.872 4.340 0.004 0.000 0.269 205 L C 0.305 177.197 176.870 0.037 0.000 1.010 205 L CA -1.206 53.673 54.840 0.065 0.000 0.818 205 L CB 1.467 43.609 42.059 0.138 0.000 1.306 205 L HN 0.293 nan 8.230 nan 0.000 0.430 206 D N 1.283 121.694 120.400 0.018 0.000 2.357 206 D HA 0.044 4.687 4.640 0.004 0.000 0.242 206 D C 0.889 177.185 176.300 -0.006 0.000 1.153 206 D CA -0.268 53.715 54.000 -0.029 0.000 0.918 206 D CB 1.223 41.990 40.800 -0.055 0.000 1.181 206 D HN 0.420 nan 8.370 nan 0.000 0.435 207 L N -0.100 121.058 121.223 -0.108 0.000 2.131 207 L HA -0.181 4.161 4.340 0.004 0.000 0.210 207 L C 2.237 179.158 176.870 0.085 0.000 1.092 207 L CA 1.523 56.314 54.840 -0.082 0.000 0.759 207 L CB -0.328 41.509 42.059 -0.370 0.000 0.903 207 L HN 0.578 nan 8.230 nan 0.000 0.435 208 E N 0.274 120.490 120.200 0.027 0.000 2.031 208 E HA -0.314 4.039 4.350 0.004 0.000 0.193 208 E C 2.092 178.804 176.600 0.186 0.000 0.994 208 E CA 1.836 58.377 56.400 0.236 0.000 0.800 208 E CB -0.186 29.610 29.700 0.161 0.000 0.752 208 E HN 0.390 nan 8.360 nan 0.000 0.447 209 Q N -1.333 118.537 119.800 0.117 0.000 2.084 209 Q HA -0.229 4.114 4.340 0.004 0.000 0.202 209 Q C 2.123 178.182 176.000 0.099 0.000 0.978 209 Q CA 1.727 57.584 55.803 0.090 0.000 0.844 209 Q CB -0.395 28.381 28.738 0.064 0.000 0.898 209 Q HN 0.505 nan 8.270 nan 0.000 0.426 210 Y N 0.551 120.883 120.300 0.052 0.000 2.128 210 Y HA -0.295 4.260 4.550 0.008 0.000 0.284 210 Y C 2.018 177.965 175.900 0.079 0.000 1.154 210 Y CA 1.641 59.774 58.100 0.055 0.000 1.149 210 Y CB -0.291 38.197 38.460 0.046 0.000 0.976 210 Y HN 0.287 nan 8.280 nan 0.000 0.505 211 L N 0.402 121.795 121.223 0.282 0.000 2.013 211 L HA -0.287 4.056 4.340 0.004 0.000 0.212 211 L C 2.182 179.093 176.870 0.068 0.000 1.073 211 L CA 1.981 56.952 54.840 0.219 0.000 0.753 211 L CB -0.848 41.403 42.059 0.320 0.000 0.890 211 L HN 0.256 nan 8.230 nan 0.000 0.432 212 Q N -0.117 119.719 119.800 0.060 0.000 2.079 212 Q HA -0.188 4.155 4.340 0.004 0.000 0.200 212 Q C 2.205 178.183 176.000 -0.038 0.000 0.974 212 Q CA 1.968 57.782 55.803 0.020 0.000 0.840 212 Q CB -0.324 28.434 28.738 0.033 0.000 0.898 212 Q HN 0.695 nan 8.270 nan 0.000 0.430 213 E N 0.088 120.233 120.200 -0.091 0.000 2.152 213 E HA -0.044 4.309 4.350 0.004 0.000 0.192 213 E C 1.313 177.801 176.600 -0.188 0.000 0.983 213 E CA 0.544 56.862 56.400 -0.137 0.000 0.818 213 E CB 0.175 29.776 29.700 -0.165 0.000 0.758 213 E HN 0.347 nan 8.360 nan 0.000 0.467 214 N N -0.605 117.936 118.700 -0.265 0.000 2.257 214 N HA 0.166 4.909 4.740 0.004 0.000 0.200 214 N C 1.466 176.912 175.510 -0.107 0.000 1.163 214 N CA 0.252 53.140 53.050 -0.270 0.000 0.891 214 N CB 1.136 39.246 38.487 -0.628 0.000 1.067 214 N HN 0.117 nan 8.380 nan 0.000 0.497 215 I N -0.125 120.411 120.570 -0.057 0.000 3.345 215 I HA 0.006 4.179 4.170 0.004 0.000 0.258 215 I C 1.768 177.872 176.117 -0.021 0.000 1.134 215 I CA 0.309 61.600 61.300 -0.016 0.000 1.457 215 I CB 0.043 38.056 38.000 0.022 0.000 1.425 215 I HN 0.002 nan 8.210 nan 0.000 0.461 216 C N 1.371 120.663 119.300 -0.012 0.000 2.473 216 C HA -0.045 4.418 4.460 0.004 0.000 0.279 216 C C 3.130 178.111 174.990 -0.015 0.000 1.250 216 C CA 1.040 60.054 59.018 -0.007 0.000 1.713 216 C CB -1.200 26.545 27.740 0.008 0.000 2.066 216 C HN 0.585 nan 8.230 nan 0.000 0.474 217 A N 2.012 124.818 122.820 -0.023 0.000 1.892 217 A HA -0.138 4.185 4.320 0.004 0.000 0.218 217 A C 0.275 177.845 177.584 -0.024 0.000 1.188 217 A CA 2.241 54.264 52.037 -0.024 0.000 0.631 217 A CB -2.012 16.969 19.000 -0.033 0.000 0.822 217 A HN 0.508 nan 8.150 nan 0.000 0.447 218 P HA -0.068 nan 4.420 nan 0.000 0.220 218 P C 0.939 178.227 177.300 -0.021 0.000 1.148 218 P CA 0.847 63.931 63.100 -0.028 0.000 0.803 218 P CB -0.066 31.614 31.700 -0.033 0.000 0.782 219 L N -2.648 118.563 121.223 -0.019 0.000 2.640 219 L HA 0.334 4.677 4.340 0.004 0.000 0.230 219 L C 1.203 178.070 176.870 -0.006 0.000 1.123 219 L CA 0.365 55.197 54.840 -0.013 0.000 0.900 219 L CB -0.713 41.337 42.059 -0.016 0.000 1.146 219 L HN 0.071 nan 8.230 nan 0.000 0.484 220 G N 1.596 110.392 108.800 -0.008 0.000 2.221 220 G HA2 -0.290 3.672 3.960 0.004 0.000 0.265 220 G HA3 -0.290 3.672 3.960 0.004 0.000 0.265 220 G C 0.100 174.998 174.900 -0.002 0.000 1.041 220 G CA -0.036 45.061 45.100 -0.005 0.000 0.807 220 G HN 0.325 nan 8.290 nan 0.000 0.502 221 I N 1.000 121.570 120.570 -0.001 0.000 2.342 221 I HA 0.375 4.548 4.170 0.004 0.000 0.291 221 I C 1.582 177.705 176.117 0.009 0.000 1.010 221 I CA 0.380 61.683 61.300 0.005 0.000 1.308 221 I CB 1.497 39.501 38.000 0.008 0.000 1.400 221 I HN 0.249 nan 8.210 nan 0.000 0.488 222 T N -1.026 113.534 114.554 0.010 0.000 3.040 222 T HA 0.102 4.454 4.350 0.004 0.000 0.266 222 T C 0.328 175.041 174.700 0.021 0.000 1.005 222 T CA -0.245 61.863 62.100 0.013 0.000 0.906 222 T CB -0.125 68.747 68.868 0.007 0.000 1.082 222 T HN 0.659 nan 8.240 nan 0.000 0.531 223 D N 0.901 121.317 120.400 0.027 0.000 2.895 223 D HA 0.287 4.930 4.640 0.004 0.000 0.350 223 D C -0.144 176.192 176.300 0.060 0.000 1.389 223 D CA -0.451 53.573 54.000 0.040 0.000 0.812 223 D CB -0.081 40.739 40.800 0.033 0.000 1.164 223 D HN 0.473 nan 8.370 nan 0.000 0.455 224 M N 0.583 120.216 119.600 0.055 0.000 2.259 224 M HA 0.509 4.992 4.480 0.004 0.000 0.304 224 M C -1.824 174.504 176.300 0.046 0.000 1.019 224 M CA 0.015 55.350 55.300 0.057 0.000 0.922 224 M CB 2.343 34.970 32.600 0.044 0.000 1.600 224 M HN -0.019 nan 8.290 nan 0.000 0.433 225 T N 2.600 117.180 114.554 0.043 0.000 2.886 225 T HA 0.434 4.787 4.350 0.004 0.000 0.330 225 T C -0.366 174.358 174.700 0.040 0.000 1.488 225 T CA -0.450 61.690 62.100 0.067 0.000 1.054 225 T CB 0.898 69.831 68.868 0.109 0.000 1.348 225 T HN 0.596 nan 8.240 nan 0.000 0.489 226 F N 1.622 121.660 119.950 0.146 0.000 2.558 226 F HA 0.314 4.844 4.527 0.006 0.000 0.298 226 F C 1.807 177.695 175.800 0.147 0.000 1.119 226 F CA 0.303 58.396 58.000 0.156 0.000 1.451 226 F CB 0.433 39.490 39.000 0.094 0.000 1.091 226 F HN 0.139 nan 8.300 nan 0.000 0.563 227 K N 1.187 121.742 120.400 0.259 0.000 2.847 227 K HA 0.188 4.510 4.320 0.004 0.000 0.213 227 K C 0.981 177.614 176.600 0.056 0.000 1.174 227 K CA -0.131 56.241 56.287 0.140 0.000 1.095 227 K CB 0.598 33.163 32.500 0.108 0.000 1.581 227 K HN 0.162 nan 8.250 nan 0.000 0.514 228 L N 1.184 122.405 121.223 -0.003 0.000 2.042 228 L HA -0.196 4.147 4.340 0.004 0.000 0.210 228 L C 1.663 178.471 176.870 -0.103 0.000 1.076 228 L CA 1.991 56.743 54.840 -0.147 0.000 0.749 228 L CB 0.004 41.728 42.059 -0.559 0.000 0.893 228 L HN 0.302 nan 8.230 nan 0.000 0.432 229 Q N -0.367 119.386 119.800 -0.078 0.000 2.437 229 Q HA -0.147 4.196 4.340 0.004 0.000 0.210 229 Q C 1.668 177.645 176.000 -0.037 0.000 0.972 229 Q CA 0.978 56.746 55.803 -0.058 0.000 0.903 229 Q CB -0.223 28.479 28.738 -0.060 0.000 0.967 229 Q HN 0.709 nan 8.270 nan 0.000 0.486 230 Q N -0.082 119.705 119.800 -0.022 0.000 2.246 230 Q HA 0.124 4.466 4.340 0.004 0.000 0.202 230 Q C -0.119 175.878 176.000 -0.006 0.000 0.883 230 Q CA -0.016 55.781 55.803 -0.010 0.000 0.952 230 Q CB 0.792 29.531 28.738 0.002 0.000 1.078 230 Q HN -0.049 nan 8.270 nan 0.000 0.493 231 R N 1.049 121.542 120.500 -0.012 0.000 2.477 231 R HA 0.193 4.536 4.340 0.004 0.000 0.285 231 R C -2.156 174.136 176.300 -0.013 0.000 1.415 231 R CA -1.869 54.227 56.100 -0.007 0.000 1.446 231 R CB 0.752 31.052 30.300 0.000 0.000 1.110 231 R HN 0.033 nan 8.270 nan 0.000 0.590 232 P HA -0.190 nan 4.420 nan 0.000 0.219 232 P C 0.727 178.020 177.300 -0.011 0.000 1.146 232 P CA 1.234 64.326 63.100 -0.013 0.000 0.808 232 P CB 0.327 32.020 31.700 -0.011 0.000 0.779 233 D N -0.226 120.170 120.400 -0.007 0.000 2.117 233 D HA -0.170 4.473 4.640 0.004 0.000 0.197 233 D C 1.889 178.187 176.300 -0.003 0.000 0.987 233 D CA 1.257 55.254 54.000 -0.005 0.000 0.829 233 D CB -1.046 39.752 40.800 -0.002 0.000 0.961 233 D HN 0.206 nan 8.370 nan 0.000 0.460 234 M N -0.019 119.581 119.600 -0.000 0.000 2.156 234 M HA 0.033 4.516 4.480 0.004 0.000 0.264 234 M C 2.595 178.896 176.300 0.001 0.000 1.067 234 M CA 0.727 56.031 55.300 0.007 0.000 1.131 234 M CB -0.118 32.490 32.600 0.013 0.000 1.368 234 M HN -0.055 nan 8.290 nan 0.000 0.416 235 L N -0.060 121.154 121.223 -0.015 0.000 2.079 235 L HA -0.205 4.138 4.340 0.004 0.000 0.210 235 L C 2.733 179.595 176.870 -0.013 0.000 1.081 235 L CA 1.207 56.036 54.840 -0.017 0.000 0.752 235 L CB -0.767 41.278 42.059 -0.023 0.000 0.896 235 L HN 0.317 nan 8.230 nan 0.000 0.433 236 A N -0.199 122.613 122.820 -0.012 0.000 2.015 236 A HA -0.133 4.190 4.320 0.004 0.000 0.219 236 A C 2.211 179.786 177.584 -0.015 0.000 1.163 236 A CA 1.195 53.222 52.037 -0.015 0.000 0.646 236 A CB -0.260 18.731 19.000 -0.014 0.000 0.806 236 A HN 0.392 nan 8.150 nan 0.000 0.448 237 R N -0.570 119.926 120.500 -0.006 0.000 2.397 237 R HA 0.100 4.442 4.340 0.004 0.000 0.241 237 R C 0.345 176.652 176.300 0.011 0.000 0.914 237 R CA -0.186 55.913 56.100 -0.003 0.000 1.071 237 R CB 0.207 30.506 30.300 -0.000 0.000 1.116 237 R HN 0.649 nan 8.270 nan 0.000 0.524 238 R N 0.993 121.504 120.500 0.018 0.000 2.694 238 R HA 0.381 4.724 4.340 0.004 0.000 0.268 238 R C -0.207 176.100 176.300 0.013 0.000 1.061 238 R CA -0.104 56.033 56.100 0.062 0.000 1.133 238 R CB 0.455 30.812 30.300 0.097 0.000 1.020 238 R HN -0.154 nan 8.270 nan 0.000 0.475 239 A N 2.409 125.274 122.820 0.075 0.000 2.483 239 A HA 0.099 4.422 4.320 0.004 0.000 0.238 239 A C -0.454 176.983 177.584 -0.245 0.000 1.070 239 A CA -0.311 51.743 52.037 0.028 0.000 0.770 239 A CB 0.139 19.256 19.000 0.195 0.000 1.008 239 A HN 0.829 nan 8.150 nan 0.000 0.497 240 D N 0.579 120.870 120.400 -0.181 0.000 2.253 240 D HA 0.307 4.950 4.640 0.004 0.000 0.249 240 D C 0.169 176.453 176.300 -0.026 0.000 1.049 240 D CA 0.019 53.872 54.000 -0.246 0.000 0.929 240 D CB 0.930 41.777 40.800 0.078 0.000 1.176 240 D HN 0.636 nan 8.370 nan 0.000 0.437 241 Q N 0.110 119.944 119.800 0.057 0.000 2.327 241 Q HA 0.293 4.636 4.340 0.004 0.000 0.254 241 Q C -0.831 175.271 176.000 0.169 0.000 0.952 241 Q CA 0.053 56.009 55.803 0.255 0.000 0.884 241 Q CB 0.703 29.671 28.738 0.384 0.000 1.224 241 Q HN 0.283 nan 8.270 nan 0.000 0.422 242 T N 2.856 117.519 114.554 0.180 0.000 2.863 242 T HA 0.336 4.689 4.350 0.004 0.000 0.285 242 T C -1.530 173.264 174.700 0.157 0.000 1.009 242 T CA -0.507 61.688 62.100 0.158 0.000 0.989 242 T CB 0.985 69.942 68.868 0.148 0.000 1.004 242 T HN 0.596 nan 8.240 nan 0.000 0.455 243 H N 1.107 120.201 119.070 0.040 0.000 2.538 243 H HA 0.556 5.115 4.556 0.004 0.000 0.353 243 H C -0.266 175.070 175.328 0.015 0.000 1.109 243 H CA -0.858 55.202 56.048 0.020 0.000 1.192 243 H CB 1.072 30.834 29.762 0.001 0.000 1.555 243 H HN 0.370 nan 8.280 nan 0.000 0.518 244 R N 3.927 124.173 120.500 -0.422 0.000 2.216 244 R HA 0.165 4.508 4.340 0.004 0.000 0.332 244 R C -0.695 175.500 176.300 -0.177 0.000 1.056 244 R CA -0.727 55.231 56.100 -0.236 0.000 0.901 244 R CB 0.094 30.260 30.300 -0.224 0.000 1.039 244 R HN 0.697 nan 8.270 nan 0.000 0.456 245 N N 1.612 120.332 118.700 0.034 0.000 2.357 245 N HA -0.106 4.636 4.740 0.004 0.000 0.257 245 N C 0.887 176.416 175.510 0.031 0.000 1.250 245 N CA 0.362 53.468 53.050 0.095 0.000 0.862 245 N CB 1.387 39.915 38.487 0.070 0.000 1.066 245 N HN 0.561 nan 8.380 nan 0.000 0.468 246 S N 2.162 117.900 115.700 0.063 0.000 2.382 246 S HA -0.131 4.342 4.470 0.004 0.000 0.228 246 S C 1.748 176.355 174.600 0.012 0.000 1.027 246 S CA 1.355 59.572 58.200 0.028 0.000 0.991 246 S CB 0.010 63.242 63.200 0.053 0.000 0.823 246 S HN 0.677 nan 8.310 nan 0.000 0.469 247 A N 1.730 124.563 122.820 0.021 0.000 1.841 247 A HA -0.088 4.235 4.320 0.004 0.000 0.214 247 A C 1.616 179.201 177.584 0.002 0.000 1.195 247 A CA 1.907 53.951 52.037 0.011 0.000 0.611 247 A CB -0.498 18.512 19.000 0.016 0.000 0.835 247 A HN 0.736 nan 8.150 nan 0.000 0.443 248 D N -3.627 116.774 120.400 0.003 0.000 2.503 248 D HA 0.315 4.957 4.640 0.004 0.000 0.218 248 D C 0.995 177.288 176.300 -0.012 0.000 1.183 248 D CA 0.732 54.730 54.000 -0.003 0.000 0.827 248 D CB -0.509 40.292 40.800 0.003 0.000 1.034 248 D HN 0.860 nan 8.370 nan 0.000 0.510 249 G N 1.041 109.830 108.800 -0.019 0.000 2.166 249 G HA2 -0.392 3.571 3.960 0.004 0.000 0.260 249 G HA3 -0.392 3.571 3.960 0.004 0.000 0.260 249 G C 0.360 175.244 174.900 -0.026 0.000 0.986 249 G CA 0.383 45.462 45.100 -0.036 0.000 0.683 249 G HN 0.620 nan 8.290 nan 0.000 0.527 250 R N -0.190 120.306 120.500 -0.006 0.000 2.490 250 R HA 0.636 4.978 4.340 0.004 0.000 0.278 250 R C 0.771 177.082 176.300 0.018 0.000 1.069 250 R CA -0.557 55.548 56.100 0.008 0.000 1.080 250 R CB 0.238 30.550 30.300 0.020 0.000 1.030 250 R HN 0.210 nan 8.270 nan 0.000 0.491 251 L N 5.178 126.417 121.223 0.027 0.000 2.349 251 L HA 0.445 4.787 4.340 0.004 0.000 0.275 251 L C 0.300 177.216 176.870 0.077 0.000 1.115 251 L CA -0.265 54.603 54.840 0.047 0.000 0.820 251 L CB 0.915 43.004 42.059 0.049 0.000 1.135 251 L HN 0.735 nan 8.230 nan 0.000 0.445 252 R N 2.137 122.703 120.500 0.109 0.000 2.771 252 R HA 0.385 4.727 4.340 0.004 0.000 0.274 252 R C -1.119 175.286 176.300 0.175 0.000 0.987 252 R CA -0.989 55.191 56.100 0.134 0.000 0.908 252 R CB 1.074 31.445 30.300 0.118 0.000 1.213 252 R HN 0.346 nan 8.270 nan 0.000 0.468 253 Y N 1.722 122.057 120.300 0.059 0.000 2.620 253 Y HA 0.103 4.655 4.550 0.004 0.000 0.330 253 Y C -0.602 175.338 175.900 0.068 0.000 1.186 253 Y CA 0.264 58.397 58.100 0.055 0.000 1.467 253 Y CB 0.760 39.238 38.460 0.029 0.000 1.262 253 Y HN 0.706 nan 8.280 nan 0.000 0.550 254 D N 5.248 125.342 120.400 -0.510 0.000 2.441 254 D HA 0.073 4.716 4.640 0.004 0.000 0.231 254 D C -1.298 174.558 176.300 -0.740 0.000 1.073 254 D CA -0.515 53.226 54.000 -0.432 0.000 0.850 254 D CB 0.429 41.184 40.800 -0.076 0.000 1.062 254 D HN 0.615 nan 8.370 nan 0.000 0.524 255 D N 2.595 122.566 120.400 -0.714 0.000 2.545 255 D HA -0.010 4.632 4.640 0.004 0.000 0.227 255 D C -0.453 175.776 176.300 -0.119 0.000 1.150 255 D CA 0.052 53.803 54.000 -0.415 0.000 1.046 255 D CB -0.156 40.552 40.800 -0.154 0.000 1.098 255 D HN 0.067 nan 8.370 nan 0.000 0.502 256 S N 2.006 117.711 115.700 0.009 0.000 2.528 256 S HA 0.088 4.560 4.470 0.004 0.000 0.277 256 S C 1.941 176.584 174.600 0.072 0.000 1.297 256 S CA -0.425 57.829 58.200 0.090 0.000 1.052 256 S CB 0.912 64.292 63.200 0.300 0.000 0.917 256 S HN 0.316 nan 8.310 nan 0.000 0.492 257 V N 4.723 124.561 119.914 -0.126 0.000 2.370 257 V HA -0.198 3.925 4.120 0.004 0.000 0.252 257 V C 1.565 177.615 176.094 -0.074 0.000 1.068 257 V CA 1.675 63.881 62.300 -0.158 0.000 1.061 257 V CB -1.770 29.860 31.823 -0.322 0.000 0.656 257 V HN 0.956 nan 8.190 nan 0.000 0.455 258 Y N -0.347 120.025 120.300 0.119 0.000 2.352 258 Y HA 0.094 4.647 4.550 0.005 0.000 0.292 258 Y C 2.137 178.114 175.900 0.129 0.000 1.136 258 Y CA 1.156 59.318 58.100 0.104 0.000 1.227 258 Y CB -0.856 37.601 38.460 -0.005 0.000 0.991 258 Y HN 0.281 nan 8.280 nan 0.000 0.545 259 F N 0.043 120.191 119.950 0.331 0.000 2.743 259 F HA 0.062 4.591 4.527 0.003 0.000 0.297 259 F C 1.903 177.744 175.800 0.067 0.000 1.131 259 F CA 0.413 58.530 58.000 0.195 0.000 1.426 259 F CB -0.040 39.079 39.000 0.198 0.000 1.116 259 F HN 0.040 nan 8.300 nan 0.000 0.583 260 R N -0.576 120.057 120.500 0.222 0.000 2.307 260 R HA 0.615 4.958 4.340 0.004 0.000 0.200 260 R C 0.259 176.587 176.300 0.048 0.000 0.893 260 R CA 0.457 56.626 56.100 0.116 0.000 1.042 260 R CB 0.292 30.653 30.300 0.102 0.000 1.059 260 R HN -0.002 nan 8.270 nan 0.000 0.530 261 A N 0.756 123.616 122.820 0.067 0.000 2.488 261 A HA 0.366 4.689 4.320 0.004 0.000 0.298 261 A C -0.867 176.776 177.584 0.099 0.000 1.044 261 A CA -0.833 51.211 52.037 0.012 0.000 0.693 261 A CB 1.770 20.777 19.000 0.012 0.000 1.272 261 A HN 0.019 nan 8.150 nan 0.000 0.402 262 D N 1.166 121.598 120.400 0.054 0.000 2.213 262 D HA 0.316 4.959 4.640 0.004 0.000 0.205 262 D C 1.104 177.508 176.300 0.174 0.000 0.961 262 D CA 2.037 56.122 54.000 0.142 0.000 0.853 262 D CB 0.220 41.075 40.800 0.092 0.000 0.967 262 D HN 1.535 nan 8.370 nan 0.000 0.496 263 G N 1.672 110.556 108.800 0.140 0.000 2.721 263 G HA2 -0.229 3.733 3.960 0.004 0.000 0.686 263 G HA3 -0.229 3.733 3.960 0.004 0.000 0.686 263 G C 0.621 175.572 174.900 0.086 0.000 1.236 263 G CA 0.179 45.405 45.100 0.210 0.000 0.786 263 G HN 0.223 nan 8.290 nan 0.000 0.616 264 E N 0.292 120.565 120.200 0.123 0.000 2.072 264 E HA -0.030 4.322 4.350 0.004 0.000 0.191 264 E C 0.888 177.421 176.600 -0.112 0.000 0.985 264 E CA 1.467 57.885 56.400 0.029 0.000 0.801 264 E CB 0.101 29.846 29.700 0.075 0.000 0.750 264 E HN 0.721 nan 8.360 nan 0.000 0.452 265 E N 0.119 120.166 120.200 -0.256 0.000 2.277 265 E HA 0.226 4.579 4.350 0.004 0.000 0.274 265 E C -1.078 175.155 176.600 -0.612 0.000 1.022 265 E CA -0.832 55.277 56.400 -0.484 0.000 0.853 265 E CB 1.506 30.786 29.700 -0.701 0.000 1.086 265 E HN 0.197 nan 8.360 nan 0.000 0.397 266 C N 3.546 122.501 119.300 -0.574 0.000 2.349 266 C HA 0.269 4.732 4.460 0.004 0.000 0.348 266 C C -0.461 174.206 174.990 -0.538 0.000 1.223 266 C CA -0.701 57.915 59.018 -0.670 0.000 1.746 266 C CB -1.604 25.492 27.740 -1.073 0.000 2.360 266 C HN 0.463 nan 8.230 nan 0.000 0.533 267 F N 2.105 122.004 119.950 -0.085 0.000 2.390 267 F HA 0.372 4.902 4.527 0.004 0.000 0.361 267 F C 1.451 177.342 175.800 0.151 0.000 1.124 267 F CA -0.436 57.565 58.000 0.001 0.000 1.149 267 F CB 0.830 39.860 39.000 0.051 0.000 1.160 267 F HN 0.763 nan 8.300 nan 0.000 0.501 268 G N 2.019 110.993 108.800 0.289 0.000 2.559 268 G HA2 -0.092 3.871 3.960 0.004 0.000 0.216 268 G HA3 -0.092 3.871 3.960 0.004 0.000 0.216 268 G C 1.596 176.662 174.900 0.277 0.000 1.126 268 G CA 0.694 45.978 45.100 0.306 0.000 0.778 268 G HN 0.857 nan 8.290 nan 0.000 0.543 269 G N -0.275 108.670 108.800 0.240 0.000 2.777 269 G HA2 0.206 4.169 3.960 0.004 0.000 0.211 269 G HA3 0.206 4.169 3.960 0.004 0.000 0.211 269 G C 1.258 176.286 174.900 0.213 0.000 1.149 269 G CA 0.975 46.207 45.100 0.221 0.000 0.785 269 G HN 0.654 nan 8.290 nan 0.000 0.536 270 Q N -2.219 117.699 119.800 0.197 0.000 1.818 270 Q HA 0.144 4.486 4.340 0.004 0.000 0.183 270 Q C 1.498 177.498 176.000 0.001 0.000 0.734 270 Q CA 0.574 56.414 55.803 0.062 0.000 0.833 270 Q CB -0.202 28.524 28.738 -0.020 0.000 1.217 270 Q HN 0.135 nan 8.270 nan 0.000 0.401 271 G N 1.001 109.916 108.800 0.192 0.000 3.042 271 G HA2 0.316 4.279 3.960 0.004 0.000 0.212 271 G HA3 0.316 4.279 3.960 0.004 0.000 0.212 271 G C 0.245 175.143 174.900 -0.003 0.000 1.166 271 G CA 0.132 45.364 45.100 0.220 0.000 0.767 271 G HN 0.082 nan 8.290 nan 0.000 0.546 272 V N 1.144 120.874 119.914 -0.307 0.000 2.546 272 V HA 0.424 4.547 4.120 0.004 0.000 0.284 272 V C -0.528 175.375 176.094 -0.317 0.000 1.050 272 V CA -0.479 61.568 62.300 -0.421 0.000 0.981 272 V CB 0.986 32.519 31.823 -0.483 0.000 0.990 272 V HN 0.151 nan 8.190 nan 0.000 0.474 273 F N 3.507 123.400 119.950 -0.095 0.000 2.436 273 F HA 0.672 5.200 4.527 0.002 0.000 0.340 273 F C 0.513 176.330 175.800 0.027 0.000 1.113 273 F CA 0.053 58.052 58.000 -0.002 0.000 1.022 273 F CB 1.965 40.984 39.000 0.032 0.000 1.128 273 F HN 0.609 nan 8.300 nan 0.000 0.466 274 S N 0.776 116.607 115.700 0.217 0.000 2.672 274 S HA 0.666 5.138 4.470 0.004 0.000 0.271 274 S C -0.817 173.852 174.600 0.115 0.000 1.171 274 S CA -0.890 57.409 58.200 0.165 0.000 0.817 274 S CB 1.006 64.293 63.200 0.145 0.000 1.150 274 S HN 0.640 nan 8.310 nan 0.000 0.478 275 S N 0.282 116.001 115.700 0.030 0.000 2.652 275 S HA 0.548 5.020 4.470 0.004 0.000 0.270 275 S C -2.104 172.347 174.600 -0.248 0.000 1.243 275 S CA -1.087 57.043 58.200 -0.116 0.000 0.999 275 S CB 0.388 63.536 63.200 -0.086 0.000 0.973 275 S HN 0.534 nan 8.310 nan 0.000 0.544 276 P HA -0.028 nan 4.420 nan 0.000 0.216 276 P C 1.744 178.967 177.300 -0.128 0.000 1.153 276 P CA 1.708 64.460 63.100 -0.581 0.000 0.858 276 P CB -0.509 30.775 31.700 -0.694 0.000 0.789 277 G N -0.705 108.022 108.800 -0.121 0.000 2.446 277 G HA2 -0.262 3.701 3.960 0.004 0.000 0.217 277 G HA3 -0.262 3.701 3.960 0.004 0.000 0.217 277 G C 1.727 176.632 174.900 0.007 0.000 1.168 277 G CA 1.093 46.165 45.100 -0.048 0.000 0.771 277 G HN 0.209 nan 8.290 nan 0.000 0.551 278 S N -0.523 115.187 115.700 0.017 0.000 2.383 278 S HA -0.094 4.379 4.470 0.004 0.000 0.227 278 S C 1.976 176.624 174.600 0.081 0.000 1.026 278 S CA 0.996 59.222 58.200 0.044 0.000 0.981 278 S CB -0.381 62.848 63.200 0.047 0.000 0.818 278 S HN 0.478 nan 8.310 nan 0.000 0.472 279 Y N 1.584 121.895 120.300 0.018 0.000 2.145 279 Y HA -0.157 4.398 4.550 0.008 0.000 0.286 279 Y C 2.421 178.356 175.900 0.059 0.000 1.145 279 Y CA 1.730 59.864 58.100 0.057 0.000 1.148 279 Y CB -0.396 38.163 38.460 0.165 0.000 0.981 279 Y HN 0.195 nan 8.280 nan 0.000 0.507 280 M N 0.829 120.543 119.600 0.189 0.000 2.149 280 M HA -0.234 4.248 4.480 0.004 0.000 0.261 280 M C 1.845 178.186 176.300 0.068 0.000 1.064 280 M CA 1.806 57.184 55.300 0.129 0.000 1.102 280 M CB -0.492 32.176 32.600 0.114 0.000 1.369 280 M HN 0.102 nan 8.290 nan 0.000 0.408 281 K N -0.988 119.438 120.400 0.042 0.000 2.113 281 K HA -0.163 4.160 4.320 0.004 0.000 0.208 281 K C 1.806 178.407 176.600 0.000 0.000 1.047 281 K CA 1.762 58.076 56.287 0.046 0.000 0.928 281 K CB -0.508 32.005 32.500 0.023 0.000 0.716 281 K HN 0.301 nan 8.250 nan 0.000 0.446 282 V N 1.689 121.539 119.914 -0.107 0.000 2.307 282 V HA -0.237 3.885 4.120 0.004 0.000 0.245 282 V C 2.202 178.201 176.094 -0.158 0.000 1.045 282 V CA 1.618 63.803 62.300 -0.192 0.000 1.024 282 V CB -0.440 31.148 31.823 -0.391 0.000 0.651 282 V HN 0.266 nan 8.190 nan 0.000 0.449 283 L N -0.618 120.512 121.223 -0.156 0.000 2.046 283 L HA -0.224 4.119 4.340 0.004 0.000 0.208 283 L C 2.594 179.527 176.870 0.106 0.000 1.077 283 L CA 2.150 56.971 54.840 -0.031 0.000 0.747 283 L CB -0.933 41.173 42.059 0.079 0.000 0.896 283 L HN 0.474 nan 8.230 nan 0.000 0.432 284 H N -0.785 118.291 119.070 0.009 0.000 2.357 284 H HA -0.178 4.371 4.556 -0.012 0.000 0.301 284 H C 2.557 177.891 175.328 0.011 0.000 1.082 284 H CA 1.393 57.457 56.048 0.026 0.000 1.342 284 H CB 0.415 30.190 29.762 0.022 0.000 1.389 284 H HN 0.251 nan 8.280 nan 0.000 0.511 285 S N 0.188 115.853 115.700 -0.058 0.000 2.370 285 S HA -0.127 4.346 4.470 0.004 0.000 0.226 285 S C 2.334 176.891 174.600 -0.072 0.000 1.033 285 S CA 1.208 59.340 58.200 -0.114 0.000 1.011 285 S CB -0.319 62.842 63.200 -0.065 0.000 0.852 285 S HN 0.414 nan 8.310 nan 0.000 0.457 286 L N 0.549 121.762 121.223 -0.016 0.000 2.046 286 L HA -0.066 4.277 4.340 0.004 0.000 0.208 286 L C 2.531 179.427 176.870 0.044 0.000 1.077 286 L CA 1.001 55.866 54.840 0.042 0.000 0.747 286 L CB -0.606 41.512 42.059 0.098 0.000 0.896 286 L HN 0.349 nan 8.230 nan 0.000 0.432 287 L N 0.184 121.437 121.223 0.049 0.000 2.046 287 L HA -0.209 4.134 4.340 0.004 0.000 0.208 287 L C 2.475 179.318 176.870 -0.046 0.000 1.077 287 L CA 1.839 56.697 54.840 0.029 0.000 0.747 287 L CB -0.451 41.673 42.059 0.109 0.000 0.896 287 L HN 0.086 nan 8.230 nan 0.000 0.432 288 K N -0.469 119.861 120.400 -0.116 0.000 2.283 288 K HA -0.048 4.275 4.320 0.004 0.000 0.202 288 K C 0.260 176.805 176.600 -0.091 0.000 1.048 288 K CA 0.489 56.692 56.287 -0.140 0.000 0.948 288 K CB -0.018 32.331 32.500 -0.252 0.000 0.742 288 K HN 0.238 nan 8.250 nan 0.000 0.458 289 R N 1.242 121.699 120.500 -0.071 0.000 3.333 289 R HA -0.139 4.204 4.340 0.004 0.000 0.256 289 R C -0.168 176.103 176.300 -0.049 0.000 1.010 289 R CA 0.741 56.813 56.100 -0.048 0.000 0.680 289 R CB -1.700 28.572 30.300 -0.048 0.000 1.102 289 R HN 0.469 nan 8.270 nan 0.000 0.440 290 D N -0.896 119.467 120.400 -0.062 0.000 2.340 290 D HA 0.092 4.734 4.640 0.004 0.000 0.220 290 D C 1.362 177.639 176.300 -0.038 0.000 1.039 290 D CA 0.643 54.608 54.000 -0.059 0.000 0.866 290 D CB 0.141 40.891 40.800 -0.082 0.000 0.913 290 D HN 0.458 nan 8.370 nan 0.000 0.523 291 G N 0.160 108.943 108.800 -0.029 0.000 2.148 291 G HA2 -0.301 3.661 3.960 0.004 0.000 0.254 291 G HA3 -0.301 3.661 3.960 0.004 0.000 0.254 291 G C 0.825 175.715 174.900 -0.017 0.000 0.981 291 G CA 0.491 45.581 45.100 -0.017 0.000 0.670 291 G HN 0.321 nan 8.290 nan 0.000 0.528 292 L N -0.548 120.661 121.223 -0.024 0.000 2.179 292 L HA 0.325 4.668 4.340 0.004 0.000 0.208 292 L C 2.810 179.669 176.870 -0.019 0.000 1.096 292 L CA 1.717 56.542 54.840 -0.024 0.000 0.779 292 L CB -0.643 41.397 42.059 -0.031 0.000 0.922 292 L HN 0.469 nan 8.230 nan 0.000 0.443 293 L N -2.428 118.787 121.223 -0.014 0.000 2.362 293 L HA 0.175 4.517 4.340 0.004 0.000 0.204 293 L C 0.169 177.047 176.870 0.013 0.000 1.060 293 L CA 0.271 55.109 54.840 -0.004 0.000 0.827 293 L CB 0.364 42.417 42.059 -0.010 0.000 1.027 293 L HN -0.019 nan 8.230 nan 0.000 0.474 294 L N -0.948 120.282 121.223 0.013 0.000 2.465 294 L HA 0.320 4.662 4.340 0.004 0.000 0.257 294 L C -0.743 176.137 176.870 0.017 0.000 0.988 294 L CA -0.833 54.022 54.840 0.023 0.000 0.827 294 L CB 2.187 44.267 42.059 0.035 0.000 1.397 294 L HN -0.081 nan 8.230 nan 0.000 0.410 295 Q N 1.537 121.348 119.800 0.019 0.000 2.361 295 Q HA 0.065 4.408 4.340 0.004 0.000 0.276 295 Q C -1.703 174.306 176.000 0.016 0.000 1.022 295 Q CA -1.227 54.584 55.803 0.013 0.000 0.898 295 Q CB 0.978 29.724 28.738 0.014 0.000 1.246 295 Q HN 0.285 nan 8.270 nan 0.000 0.410 296 P HA -0.248 nan 4.420 nan 0.000 0.216 296 P C 1.279 178.587 177.300 0.015 0.000 1.150 296 P CA 1.540 64.643 63.100 0.004 0.000 0.843 296 P CB 0.189 31.883 31.700 -0.010 0.000 0.787 297 Q N -1.180 118.630 119.800 0.016 0.000 2.167 297 Q HA -0.095 4.247 4.340 0.004 0.000 0.202 297 Q C 1.514 177.538 176.000 0.039 0.000 0.970 297 Q CA 1.846 57.662 55.803 0.023 0.000 0.855 297 Q CB -1.956 26.792 28.738 0.017 0.000 0.911 297 Q HN 0.194 nan 8.270 nan 0.000 0.438 298 T N 1.513 116.092 114.554 0.042 0.000 2.857 298 T HA -0.009 4.343 4.350 0.004 0.000 0.266 298 T C 2.164 176.913 174.700 0.081 0.000 1.048 298 T CA 1.137 63.268 62.100 0.052 0.000 1.139 298 T CB -0.154 68.740 68.868 0.043 0.000 0.874 298 T HN 0.094 nan 8.240 nan 0.000 0.455 299 V N 2.313 122.282 119.914 0.091 0.000 2.343 299 V HA -0.181 3.942 4.120 0.004 0.000 0.247 299 V C 2.345 178.588 176.094 0.248 0.000 1.051 299 V CA 1.715 64.111 62.300 0.160 0.000 1.036 299 V CB -0.613 31.286 31.823 0.126 0.000 0.654 299 V HN 0.401 nan 8.190 nan 0.000 0.451 300 D N -0.065 120.418 120.400 0.138 0.000 2.123 300 D HA -0.178 4.465 4.640 0.004 0.000 0.196 300 D C 2.095 178.511 176.300 0.193 0.000 0.992 300 D CA 1.092 55.169 54.000 0.128 0.000 0.833 300 D CB -0.341 40.482 40.800 0.040 0.000 0.954 300 D HN 0.325 nan 8.370 nan 0.000 0.455 301 L N 0.180 121.486 121.223 0.138 0.000 2.079 301 L HA -0.181 4.162 4.340 0.004 0.000 0.210 301 L C 2.238 179.181 176.870 0.121 0.000 1.081 301 L CA 0.964 55.870 54.840 0.110 0.000 0.752 301 L CB -0.156 41.946 42.059 0.071 0.000 0.896 301 L HN 0.083 nan 8.230 nan 0.000 0.433 302 M N -1.514 118.171 119.600 0.143 0.000 2.202 302 M HA -0.244 4.239 4.480 0.004 0.000 0.262 302 M C 1.587 177.836 176.300 -0.086 0.000 1.063 302 M CA 1.820 57.132 55.300 0.021 0.000 1.097 302 M CB -0.284 32.295 32.600 -0.034 0.000 1.382 302 M HN 0.148 nan 8.290 nan 0.000 0.413 303 F N -0.247 119.719 119.950 0.028 0.000 2.765 303 F HA 0.116 4.644 4.527 0.002 0.000 0.302 303 F C 0.737 176.543 175.800 0.011 0.000 1.111 303 F CA -0.145 57.867 58.000 0.020 0.000 1.359 303 F CB 0.098 39.116 39.000 0.030 0.000 1.097 303 F HN 0.085 nan 8.300 nan 0.000 0.577 304 Q N 2.027 121.920 119.800 0.154 0.000 2.279 304 Q HA 0.205 4.547 4.340 0.004 0.000 0.256 304 Q C -2.299 173.739 176.000 0.064 0.000 0.937 304 Q CA -2.287 53.575 55.803 0.099 0.000 0.933 304 Q CB 0.470 29.258 28.738 0.083 0.000 1.189 304 Q HN -0.114 nan 8.270 nan 0.000 0.417 305 P HA -0.117 nan 4.420 nan 0.000 0.260 305 P C -0.519 176.818 177.300 0.062 0.000 1.185 305 P CA 0.502 63.631 63.100 0.049 0.000 0.763 305 P CB 0.726 32.449 31.700 0.038 0.000 0.776 306 A N 4.618 127.492 122.820 0.090 0.000 2.169 306 A HA 0.141 4.463 4.320 0.004 0.000 0.210 306 A C 0.752 178.392 177.584 0.094 0.000 1.168 306 A CA 0.316 52.411 52.037 0.095 0.000 0.813 306 A CB -0.241 18.839 19.000 0.134 0.000 0.861 306 A HN 0.456 nan 8.150 nan 0.000 0.481 307 L N 1.260 122.547 121.223 0.106 0.000 2.350 307 L HA 0.281 4.624 4.340 0.004 0.000 0.275 307 L C 0.168 177.076 176.870 0.064 0.000 1.099 307 L CA -0.547 54.352 54.840 0.099 0.000 0.808 307 L CB 0.874 43.000 42.059 0.111 0.000 1.149 307 L HN 0.284 nan 8.230 nan 0.000 0.442 308 E N 3.050 123.285 120.200 0.058 0.000 2.371 308 E HA 0.082 4.434 4.350 0.004 0.000 0.257 308 E C -1.603 175.020 176.600 0.038 0.000 1.134 308 E CA -1.590 54.835 56.400 0.042 0.000 0.919 308 E CB 0.648 30.371 29.700 0.038 0.000 1.025 308 E HN 0.377 nan 8.360 nan 0.000 0.438 309 P HA -0.229 nan 4.420 nan 0.000 0.217 309 P C 1.306 178.622 177.300 0.026 0.000 1.151 309 P CA 1.516 64.630 63.100 0.024 0.000 0.849 309 P CB 0.077 31.788 31.700 0.019 0.000 0.787 310 R N -0.202 120.315 120.500 0.030 0.000 2.073 310 R HA -0.095 4.247 4.340 0.004 0.000 0.234 310 R C 2.213 178.538 176.300 0.042 0.000 1.134 310 R CA 1.422 57.541 56.100 0.032 0.000 0.952 310 R CB -0.875 29.443 30.300 0.030 0.000 0.850 310 R HN 0.164 nan 8.270 nan 0.000 0.433 311 L N 0.396 121.652 121.223 0.054 0.000 2.109 311 L HA -0.084 4.259 4.340 0.004 0.000 0.207 311 L C 2.643 179.550 176.870 0.061 0.000 1.086 311 L CA 1.225 56.111 54.840 0.077 0.000 0.760 311 L CB -0.474 41.649 42.059 0.108 0.000 0.910 311 L HN 0.407 nan 8.230 nan 0.000 0.437 312 E N 0.229 120.454 120.200 0.041 0.000 2.085 312 E HA -0.268 4.084 4.350 0.004 0.000 0.194 312 E C 2.093 178.692 176.600 -0.001 0.000 0.994 312 E CA 1.170 57.577 56.400 0.011 0.000 0.801 312 E CB 0.133 29.841 29.700 0.013 0.000 0.743 312 E HN 0.324 nan 8.360 nan 0.000 0.453 313 E N 0.513 120.721 120.200 0.014 0.000 2.047 313 E HA -0.209 4.143 4.350 0.004 0.000 0.191 313 E C 2.046 178.660 176.600 0.024 0.000 0.987 313 E CA 0.896 57.304 56.400 0.014 0.000 0.799 313 E CB -0.142 29.569 29.700 0.019 0.000 0.752 313 E HN 0.326 nan 8.360 nan 0.000 0.449 314 Q N 0.532 120.356 119.800 0.041 0.000 2.084 314 Q HA -0.163 4.180 4.340 0.004 0.000 0.202 314 Q C 2.196 178.244 176.000 0.080 0.000 0.978 314 Q CA 1.292 57.136 55.803 0.067 0.000 0.844 314 Q CB -0.318 28.465 28.738 0.076 0.000 0.898 314 Q HN 0.316 nan 8.270 nan 0.000 0.426 315 M N 0.388 120.007 119.600 0.031 0.000 2.086 315 M HA -0.185 4.298 4.480 0.004 0.000 0.261 315 M C 1.599 177.851 176.300 -0.080 0.000 1.067 315 M CA 1.586 56.842 55.300 -0.073 0.000 1.116 315 M CB -0.169 32.239 32.600 -0.320 0.000 1.348 315 M HN 0.206 nan 8.290 nan 0.000 0.407 316 N N 0.080 118.741 118.700 -0.066 0.000 2.166 316 N HA -0.183 4.560 4.740 0.004 0.000 0.186 316 N C 1.648 177.156 175.510 -0.004 0.000 1.019 316 N CA 1.388 54.407 53.050 -0.051 0.000 0.856 316 N CB -0.343 38.119 38.487 -0.042 0.000 0.993 316 N HN 0.589 nan 8.380 nan 0.000 0.426 317 Q N -0.157 119.662 119.800 0.032 0.000 2.084 317 Q HA -0.194 4.148 4.340 0.004 0.000 0.202 317 Q C 1.931 177.984 176.000 0.089 0.000 0.978 317 Q CA 1.409 57.245 55.803 0.055 0.000 0.844 317 Q CB -0.248 28.531 28.738 0.068 0.000 0.898 317 Q HN 0.528 nan 8.270 nan 0.000 0.426 318 H N 0.384 119.483 119.070 0.048 0.000 2.321 318 H HA -0.059 4.499 4.556 0.004 0.000 0.300 318 H C 1.930 177.329 175.328 0.119 0.000 1.087 318 H CA 1.896 58.004 56.048 0.099 0.000 1.319 318 H CB -0.017 29.825 29.762 0.133 0.000 1.379 318 H HN 0.105 nan 8.280 nan 0.000 0.501 319 M N -0.118 119.434 119.600 -0.080 0.000 2.132 319 M HA -0.125 4.358 4.480 0.004 0.000 0.263 319 M C 1.606 177.879 176.300 -0.046 0.000 1.065 319 M CA 1.618 56.872 55.300 -0.077 0.000 1.122 319 M CB -0.042 32.522 32.600 -0.060 0.000 1.365 319 M HN 0.267 nan 8.290 nan 0.000 0.411 320 D N 0.809 121.192 120.400 -0.028 0.000 2.178 320 D HA -0.079 4.564 4.640 0.004 0.000 0.201 320 D C 1.726 178.025 176.300 -0.001 0.000 0.980 320 D CA 1.405 55.399 54.000 -0.009 0.000 0.842 320 D CB -0.094 40.704 40.800 -0.003 0.000 0.948 320 D HN 0.338 nan 8.370 nan 0.000 0.472 321 A N -0.359 122.458 122.820 -0.005 0.000 2.238 321 A HA 0.119 4.441 4.320 0.004 0.000 0.208 321 A C 1.055 178.668 177.584 0.047 0.000 1.177 321 A CA 0.165 52.214 52.037 0.019 0.000 0.804 321 A CB 0.323 19.346 19.000 0.038 0.000 0.823 321 A HN 0.012 nan 8.150 nan 0.000 0.482 322 S N 0.915 116.623 115.700 0.013 0.000 2.256 322 S HA 0.248 4.721 4.470 0.004 0.000 0.210 322 S C -2.078 172.562 174.600 0.067 0.000 1.329 322 S CA -0.709 57.551 58.200 0.099 0.000 1.267 322 S CB 0.660 63.757 63.200 -0.173 0.000 1.086 322 S HN 0.418 nan 8.310 nan 0.000 0.468 323 P HA -0.136 nan 4.420 nan 0.000 0.230 323 P C 1.178 178.519 177.300 0.068 0.000 1.158 323 P CA 0.959 64.095 63.100 0.060 0.000 0.769 323 P CB -0.212 31.516 31.700 0.047 0.000 0.807 324 H N -0.890 118.162 119.070 -0.030 0.000 2.524 324 H HA 0.123 4.682 4.556 0.005 0.000 0.282 324 H C 1.654 176.975 175.328 -0.011 0.000 1.016 324 H CA 0.472 56.509 56.048 -0.020 0.000 1.270 324 H CB -0.963 28.797 29.762 -0.003 0.000 1.394 324 H HN 0.195 nan 8.280 nan 0.000 0.568 325 I N 0.248 120.508 120.570 -0.516 0.000 2.681 325 I HA -0.063 4.110 4.170 0.004 0.000 0.247 325 I C 0.238 176.230 176.117 -0.209 0.000 1.091 325 I CA 0.345 61.381 61.300 -0.441 0.000 1.442 325 I CB -0.099 37.488 38.000 -0.689 0.000 1.219 325 I HN 0.097 nan 8.210 nan 0.000 0.451 326 N N 0.710 119.295 118.700 -0.192 0.000 2.608 326 N HA -0.251 4.491 4.740 0.004 0.000 0.273 326 N C 0.120 175.706 175.510 0.127 0.000 1.133 326 N CA 0.380 53.427 53.050 -0.005 0.000 0.726 326 N CB -1.221 37.258 38.487 -0.013 0.000 0.890 326 N HN 0.352 nan 8.380 nan 0.000 0.548 327 Y N -0.628 119.693 120.300 0.035 0.000 2.293 327 Y HA 0.020 4.572 4.550 0.004 0.000 0.291 327 Y C 2.328 178.193 175.900 -0.058 0.000 1.137 327 Y CA 1.204 59.239 58.100 -0.108 0.000 1.202 327 Y CB -0.003 38.369 38.460 -0.146 0.000 0.990 327 Y HN 0.518 nan 8.280 nan 0.000 0.537 328 G N -0.700 108.191 108.800 0.152 0.000 2.920 328 G HA2 0.305 4.268 3.960 0.004 0.000 0.208 328 G HA3 0.305 4.268 3.960 0.004 0.000 0.208 328 G C 1.393 176.329 174.900 0.060 0.000 1.159 328 G CA 0.493 45.628 45.100 0.058 0.000 0.784 328 G HN 0.646 nan 8.290 nan 0.000 0.535 329 G N 1.269 110.137 108.800 0.114 0.000 2.602 329 G HA2 -0.333 3.630 3.960 0.004 0.000 0.310 329 G HA3 -0.333 3.630 3.960 0.004 0.000 0.310 329 G C -0.400 174.461 174.900 -0.065 0.000 1.183 329 G CA 0.662 45.731 45.100 -0.053 0.000 0.979 329 G HN 0.316 nan 8.290 nan 0.000 0.545 330 P HA 0.083 nan 4.420 nan 0.000 0.229 330 P C 1.313 178.750 177.300 0.228 0.000 1.160 330 P CA 0.901 64.062 63.100 0.102 0.000 0.777 330 P CB -0.067 31.750 31.700 0.195 0.000 0.814 331 M N 0.499 120.156 119.600 0.094 0.000 2.245 331 M HA 0.103 4.585 4.480 0.004 0.000 0.312 331 M C -1.894 174.445 176.300 0.065 0.000 1.070 331 M CA -1.099 54.190 55.300 -0.018 0.000 1.162 331 M CB -0.974 31.549 32.600 -0.129 0.000 1.448 331 M HN -0.224 nan 8.290 nan 0.000 0.446 332 P HA -0.022 nan 4.420 nan 0.000 0.266 332 P C 0.360 177.674 177.300 0.022 0.000 1.195 332 P CA 0.134 63.279 63.100 0.076 0.000 0.768 332 P CB 0.385 32.121 31.700 0.061 0.000 0.838 333 M N 0.992 120.607 119.600 0.024 0.000 2.394 333 M HA 0.007 4.490 4.480 0.004 0.000 0.264 333 M C 0.290 176.590 176.300 0.001 0.000 1.073 333 M CA 1.094 56.399 55.300 0.009 0.000 1.111 333 M CB -0.444 32.160 32.600 0.007 0.000 1.401 333 M HN 0.039 nan 8.290 nan 0.000 0.448 334 V N 1.599 121.513 119.914 0.000 0.000 2.409 334 V HA 0.576 4.698 4.120 0.004 0.000 0.291 334 V C -0.727 175.357 176.094 -0.017 0.000 1.020 334 V CA -0.756 61.539 62.300 -0.008 0.000 0.848 334 V CB 2.011 33.832 31.823 -0.003 0.000 0.990 334 V HN 0.213 nan 8.190 nan 0.000 0.430 335 L N 4.372 125.577 121.223 -0.031 0.000 2.556 335 L HA 0.577 4.920 4.340 0.004 0.000 0.257 335 L C -0.470 176.370 176.870 -0.050 0.000 0.955 335 L CA -0.467 54.346 54.840 -0.046 0.000 0.850 335 L CB 2.293 44.310 42.059 -0.070 0.000 1.398 335 L HN 0.606 nan 8.230 nan 0.000 0.412 336 R N 3.025 123.496 120.500 -0.048 0.000 2.296 336 R HA 0.537 4.879 4.340 0.004 0.000 0.323 336 R C -0.776 175.488 176.300 -0.060 0.000 1.067 336 R CA 0.030 56.103 56.100 -0.045 0.000 0.946 336 R CB 0.356 30.635 30.300 -0.034 0.000 0.991 336 R HN 0.595 nan 8.270 nan 0.000 0.448 337 R N 1.544 122.003 120.500 -0.068 0.000 2.912 337 R HA 0.538 4.880 4.340 0.004 0.000 0.262 337 R C -0.854 175.401 176.300 -0.075 0.000 1.057 337 R CA -0.884 55.166 56.100 -0.084 0.000 0.981 337 R CB 2.108 32.340 30.300 -0.113 0.000 1.201 337 R HN 0.468 nan 8.270 nan 0.000 0.484 338 S N -0.292 115.367 115.700 -0.068 0.000 2.840 338 S HA 0.661 5.134 4.470 0.004 0.000 0.307 338 S C -1.859 172.739 174.600 -0.004 0.000 1.180 338 S CA -0.641 57.539 58.200 -0.033 0.000 0.846 338 S CB 1.174 64.375 63.200 0.003 0.000 1.233 338 S HN 0.378 nan 8.310 nan 0.000 0.548 339 F N 0.672 120.579 119.950 -0.073 0.000 2.529 339 F HA 0.709 5.239 4.527 0.005 0.000 0.320 339 F C 0.600 176.419 175.800 0.032 0.000 1.118 339 F CA -0.009 57.986 58.000 -0.009 0.000 0.915 339 F CB 1.687 40.747 39.000 0.100 0.000 1.161 339 F HN 0.714 nan 8.300 nan 0.000 0.445 340 G N 4.031 112.707 108.800 -0.206 0.000 2.773 340 G HA2 0.444 4.406 3.960 0.004 0.000 0.186 340 G HA3 0.444 4.406 3.960 0.004 0.000 0.186 340 G C -1.111 173.815 174.900 0.043 0.000 1.411 340 G CA -0.808 44.250 45.100 -0.070 0.000 1.054 340 G HN 0.562 nan 8.290 nan 0.000 0.579 341 L N 0.844 122.061 121.223 -0.009 0.000 2.283 341 L HA 0.544 4.886 4.340 0.004 0.000 0.281 341 L C 1.013 177.875 176.870 -0.013 0.000 1.033 341 L CA 0.353 55.224 54.840 0.051 0.000 0.848 341 L CB 1.024 43.108 42.059 0.042 0.000 1.226 341 L HN 0.977 nan 8.230 nan 0.000 0.429 342 G N 1.861 110.686 108.800 0.041 0.000 2.211 342 G HA2 0.017 3.980 3.960 0.004 0.000 0.201 342 G HA3 0.017 3.980 3.960 0.004 0.000 0.201 342 G C 0.203 175.088 174.900 -0.025 0.000 0.997 342 G CA -0.278 44.851 45.100 0.048 0.000 0.652 342 G HN 1.125 nan 8.290 nan 0.000 0.500 343 G N -1.027 107.451 108.800 -0.537 0.000 2.321 343 G HA2 0.521 4.484 3.960 0.004 0.000 0.296 343 G HA3 0.521 4.484 3.960 0.004 0.000 0.296 343 G C -1.041 173.079 174.900 -1.300 0.000 1.287 343 G CA -0.376 44.236 45.100 -0.814 0.000 0.846 343 G HN 0.759 nan 8.290 nan 0.000 0.508 344 I N 0.765 120.966 120.570 -0.615 0.000 2.474 344 I HA 0.345 4.518 4.170 0.004 0.000 0.287 344 I C 0.055 176.001 176.117 -0.285 0.000 1.048 344 I CA -0.180 60.893 61.300 -0.377 0.000 1.383 344 I CB 1.009 38.962 38.000 -0.079 0.000 1.412 344 I HN 0.198 nan 8.210 nan 0.000 0.531 345 I N 5.358 125.798 120.570 -0.216 0.000 2.412 345 I HA 0.407 4.580 4.170 0.004 0.000 0.296 345 I C 0.394 176.457 176.117 -0.089 0.000 0.987 345 I CA -0.589 60.638 61.300 -0.122 0.000 1.180 345 I CB 1.695 39.651 38.000 -0.074 0.000 1.340 345 I HN 0.598 nan 8.210 nan 0.000 0.455 346 A N 6.870 129.645 122.820 -0.075 0.000 2.404 346 A HA 0.437 4.759 4.320 0.004 0.000 0.273 346 A C 0.616 178.170 177.584 -0.050 0.000 1.144 346 A CA -0.237 51.749 52.037 -0.085 0.000 0.806 346 A CB 0.123 19.050 19.000 -0.121 0.000 1.080 346 A HN 0.871 nan 8.150 nan 0.000 0.509 347 L N 1.601 122.794 121.223 -0.049 0.000 2.592 347 L HA 0.178 4.520 4.340 0.004 0.000 0.227 347 L C 0.748 177.601 176.870 -0.029 0.000 1.127 347 L CA 0.335 55.158 54.840 -0.029 0.000 0.884 347 L CB -0.386 41.658 42.059 -0.025 0.000 1.065 347 L HN 0.932 nan 8.230 nan 0.000 0.457 348 E N -1.894 118.279 120.200 -0.046 0.000 2.413 348 E HA 0.269 4.622 4.350 0.004 0.000 0.277 348 E C -1.436 175.124 176.600 -0.066 0.000 0.958 348 E CA -1.016 55.358 56.400 -0.044 0.000 0.779 348 E CB 1.264 30.941 29.700 -0.039 0.000 1.278 348 E HN -0.185 nan 8.360 nan 0.000 0.456 349 D N 1.513 121.882 120.400 -0.053 0.000 2.455 349 D HA 0.015 4.658 4.640 0.004 0.000 0.241 349 D C 0.863 177.105 176.300 -0.098 0.000 1.138 349 D CA -0.004 53.954 54.000 -0.071 0.000 0.877 349 D CB 1.039 41.820 40.800 -0.032 0.000 1.187 349 D HN 0.337 nan 8.370 nan 0.000 0.451 350 L N 1.432 122.548 121.223 -0.179 0.000 2.072 350 L HA -0.078 4.265 4.340 0.004 0.000 0.205 350 L C 1.097 177.968 176.870 0.002 0.000 1.079 350 L CA 1.585 56.304 54.840 -0.202 0.000 0.752 350 L CB -0.213 41.470 42.059 -0.627 0.000 0.906 350 L HN 0.395 nan 8.230 nan 0.000 0.436 351 D N -1.428 119.005 120.400 0.054 0.000 2.846 351 D HA 0.371 5.013 4.640 0.004 0.000 0.279 351 D C 0.770 177.090 176.300 0.033 0.000 1.222 351 D CA 0.509 54.555 54.000 0.077 0.000 0.769 351 D CB -0.107 40.770 40.800 0.128 0.000 1.299 351 D HN 0.196 nan 8.370 nan 0.000 0.537 352 G N 2.231 111.039 108.800 0.013 0.000 2.665 352 G HA2 -0.374 3.588 3.960 0.004 0.000 0.326 352 G HA3 -0.374 3.588 3.960 0.004 0.000 0.326 352 G C 0.806 175.720 174.900 0.023 0.000 1.231 352 G CA 0.702 45.808 45.100 0.011 0.000 0.992 352 G HN 0.440 nan 8.290 nan 0.000 0.549 353 E N 1.609 121.826 120.200 0.028 0.000 2.474 353 E HA 0.081 4.434 4.350 0.004 0.000 0.195 353 E C 1.889 178.532 176.600 0.073 0.000 1.039 353 E CA 0.513 56.942 56.400 0.049 0.000 0.881 353 E CB -0.044 29.677 29.700 0.035 0.000 0.970 353 E HN 0.695 nan 8.360 nan 0.000 0.486 354 N N -0.561 118.171 118.700 0.052 0.000 2.325 354 N HA 0.004 4.747 4.740 0.004 0.000 0.182 354 N C 0.265 175.822 175.510 0.078 0.000 1.088 354 N CA 0.052 53.123 53.050 0.036 0.000 0.879 354 N CB 0.423 38.872 38.487 -0.063 0.000 0.983 354 N HN 0.048 nan 8.380 nan 0.000 0.471 355 W N 1.071 122.227 121.300 -0.239 0.000 3.488 355 W HA 0.420 5.082 4.660 0.003 0.000 0.397 355 W C -0.942 175.153 176.519 -0.707 0.000 1.072 355 W CA -1.310 55.666 57.345 -0.614 0.000 1.145 355 W CB 0.132 29.338 29.460 -0.423 0.000 1.518 355 W HN -0.401 nan 8.180 nan 0.000 0.620 356 R N 2.436 122.356 120.500 -0.967 0.000 2.698 356 R HA 0.199 4.542 4.340 0.004 0.000 0.266 356 R C 0.280 176.427 176.300 -0.256 0.000 1.026 356 R CA -0.028 55.717 56.100 -0.592 0.000 1.102 356 R CB 0.304 30.203 30.300 -0.669 0.000 0.978 356 R HN 0.111 nan 8.270 nan 0.000 0.436 357 R N 1.916 122.392 120.500 -0.040 0.000 2.674 357 R HA 0.154 4.497 4.340 0.004 0.000 0.266 357 R C -0.040 176.244 176.300 -0.026 0.000 1.016 357 R CA -0.974 55.120 56.100 -0.011 0.000 1.062 357 R CB 0.947 31.283 30.300 0.061 0.000 1.142 357 R HN 0.507 nan 8.270 nan 0.000 0.517 358 K N 0.184 120.571 120.400 -0.023 0.000 2.569 358 K HA -0.136 4.187 4.320 0.004 0.000 0.280 358 K C 0.684 177.298 176.600 0.024 0.000 0.984 358 K CA 1.639 57.920 56.287 -0.010 0.000 1.064 358 K CB 0.019 32.516 32.500 -0.005 0.000 0.866 358 K HN 0.798 nan 8.250 nan 0.000 0.492 359 G N 2.046 110.871 108.800 0.042 0.000 2.175 359 G HA2 -0.298 3.665 3.960 0.004 0.000 0.244 359 G HA3 -0.298 3.665 3.960 0.004 0.000 0.244 359 G C -0.085 174.933 174.900 0.198 0.000 0.982 359 G CA 0.331 45.494 45.100 0.104 0.000 0.641 359 G HN 0.916 nan 8.290 nan 0.000 0.527 360 S N -0.072 115.706 115.700 0.130 0.000 2.565 360 S HA 0.719 5.191 4.470 0.004 0.000 0.276 360 S C -0.174 174.503 174.600 0.129 0.000 1.326 360 S CA -0.420 57.890 58.200 0.183 0.000 1.045 360 S CB 2.505 65.758 63.200 0.089 0.000 0.918 360 S HN 1.255 nan 8.310 nan 0.000 0.505 361 L N 2.095 123.426 121.223 0.180 0.000 2.329 361 L HA 0.807 5.150 4.340 0.004 0.000 0.279 361 L C -0.143 176.679 176.870 -0.081 0.000 1.014 361 L CA 0.296 55.106 54.840 -0.049 0.000 0.814 361 L CB 2.072 43.909 42.059 -0.369 0.000 1.257 361 L HN 1.017 nan 8.230 nan 0.000 0.424 362 T N 3.551 117.888 114.554 -0.361 0.000 2.889 362 T HA 0.692 5.044 4.350 0.004 0.000 0.315 362 T C -1.508 172.702 174.700 -0.818 0.000 1.291 362 T CA -0.151 61.513 62.100 -0.728 0.000 1.028 362 T CB 0.647 69.316 68.868 -0.333 0.000 1.235 362 T HN 0.458 nan 8.240 nan 0.000 0.491 363 F N 0.753 119.725 119.950 -1.631 0.000 3.461 363 F HA 0.806 5.335 4.527 0.003 0.000 0.328 363 F C -0.029 175.404 175.800 -0.612 0.000 1.160 363 F CA 0.486 58.036 58.000 -0.750 0.000 0.879 363 F CB 1.162 40.056 39.000 -0.177 0.000 1.559 363 F HN 0.942 nan 8.300 nan 0.000 0.510 364 G N -0.675 107.959 108.800 -0.277 0.000 2.548 364 G HA2 0.556 4.518 3.960 0.004 0.000 0.301 364 G HA3 0.556 4.518 3.960 0.004 0.000 0.301 364 G C -1.760 173.093 174.900 -0.079 0.000 1.349 364 G CA -0.148 44.897 45.100 -0.093 0.000 0.792 364 G HN 1.108 nan 8.290 nan 0.000 0.481 365 G N -1.510 107.256 108.800 -0.057 0.000 2.638 365 G HA2 0.593 4.556 3.960 0.004 0.000 0.302 365 G HA3 0.593 4.556 3.960 0.004 0.000 0.302 365 G C 1.010 175.878 174.900 -0.054 0.000 1.365 365 G CA 0.536 45.573 45.100 -0.106 0.000 0.987 365 G HN 1.532 nan 8.290 nan 0.000 0.495 366 G N 1.698 110.421 108.800 -0.128 0.000 2.663 366 G HA2 -0.216 3.747 3.960 0.004 0.000 0.222 366 G HA3 -0.216 3.747 3.960 0.004 0.000 0.222 366 G C -0.599 174.414 174.900 0.189 0.000 1.146 366 G CA 1.306 46.408 45.100 0.004 0.000 0.764 366 G HN 0.558 nan 8.290 nan 0.000 0.608 367 P HA 0.158 nan 4.420 nan 0.000 0.254 367 P C -0.099 177.270 177.300 0.115 0.000 1.631 367 P CA -0.272 62.891 63.100 0.105 0.000 0.861 367 P CB -0.522 31.230 31.700 0.087 0.000 1.663 368 N N -0.817 117.988 118.700 0.175 0.000 2.754 368 N HA -0.163 4.580 4.740 0.004 0.000 0.248 368 N C -0.367 175.237 175.510 0.157 0.000 1.093 368 N CA 0.594 53.656 53.050 0.020 0.000 0.699 368 N CB -1.421 36.881 38.487 -0.309 0.000 1.016 368 N HN 0.357 nan 8.380 nan 0.000 0.552 369 I N 0.991 121.653 120.570 0.153 0.000 2.365 369 I HA 0.270 4.443 4.170 0.004 0.000 0.291 369 I C 0.510 176.748 176.117 0.200 0.000 1.004 369 I CA -0.469 60.837 61.300 0.009 0.000 1.311 369 I CB 1.545 39.325 38.000 -0.368 0.000 1.401 369 I HN -0.249 nan 8.210 nan 0.000 0.491 370 V N 6.662 126.721 119.914 0.241 0.000 2.577 370 V HA 0.443 4.565 4.120 0.004 0.000 0.303 370 V C -0.770 175.540 176.094 0.360 0.000 1.042 370 V CA -0.556 61.892 62.300 0.246 0.000 0.872 370 V CB 1.648 33.605 31.823 0.224 0.000 0.998 370 V HN 0.760 nan 8.190 nan 0.000 0.423 371 W N 4.926 126.404 121.300 0.296 0.000 2.781 371 W HA 0.897 5.564 4.660 0.011 0.000 0.345 371 W C -1.110 175.592 176.519 0.305 0.000 1.085 371 W CA -1.030 56.526 57.345 0.350 0.000 1.198 371 W CB 1.927 31.662 29.460 0.458 0.000 1.423 371 W HN 0.675 nan 8.180 nan 0.000 0.532 372 Q N 1.533 121.691 119.800 0.596 0.000 2.391 372 Q HA 0.733 5.076 4.340 0.004 0.000 0.279 372 Q C -2.093 174.223 176.000 0.527 0.000 1.028 372 Q CA -0.763 55.290 55.803 0.418 0.000 0.836 372 Q CB 2.712 31.572 28.738 0.203 0.000 1.414 372 Q HN 0.549 nan 8.270 nan 0.000 0.397 373 I N 1.653 122.528 120.570 0.509 0.000 2.466 373 I HA 0.458 4.631 4.170 0.004 0.000 0.289 373 I C -1.190 175.187 176.117 0.434 0.000 1.026 373 I CA -0.733 60.855 61.300 0.481 0.000 1.078 373 I CB 2.169 40.528 38.000 0.598 0.000 1.249 373 I HN 0.713 nan 8.210 nan 0.000 0.429 374 D N 8.332 128.909 120.400 0.296 0.000 2.404 374 D HA 0.326 4.969 4.640 0.004 0.000 0.267 374 D C -2.086 174.279 176.300 0.108 0.000 1.194 374 D CA -2.063 52.072 54.000 0.224 0.000 0.910 374 D CB 1.890 42.861 40.800 0.285 0.000 1.090 374 D HN 0.099 nan 8.370 nan 0.000 0.511 375 P HA -0.117 nan 4.420 nan 0.000 0.216 375 P C 1.307 178.587 177.300 -0.034 0.000 1.150 375 P CA 1.074 64.118 63.100 -0.092 0.000 0.837 375 P CB 0.516 32.041 31.700 -0.291 0.000 0.786 376 K N 0.067 120.468 120.400 0.000 0.000 2.026 376 K HA -0.086 4.236 4.320 0.004 0.000 0.208 376 K C 2.016 178.643 176.600 0.045 0.000 1.048 376 K CA 1.590 57.890 56.287 0.021 0.000 0.929 376 K CB -0.842 31.677 32.500 0.032 0.000 0.713 376 K HN -0.069 nan 8.250 nan 0.000 0.439 377 A N -0.086 122.786 122.820 0.087 0.000 2.070 377 A HA 0.073 4.396 4.320 0.004 0.000 0.220 377 A C 1.539 179.124 177.584 0.002 0.000 1.159 377 A CA 1.343 53.425 52.037 0.075 0.000 0.656 377 A CB -0.837 18.253 19.000 0.150 0.000 0.800 377 A HN 0.646 nan 8.150 nan 0.000 0.453 378 G N -1.997 106.810 108.800 0.012 0.000 2.137 378 G HA2 -0.188 3.774 3.960 0.004 0.000 0.237 378 G HA3 -0.188 3.774 3.960 0.004 0.000 0.237 378 G C -0.100 174.804 174.900 0.006 0.000 1.002 378 G CA 0.461 45.564 45.100 0.004 0.000 0.702 378 G HN 0.537 nan 8.290 nan 0.000 0.515 379 L N -0.603 120.623 121.223 0.005 0.000 2.371 379 L HA 0.809 5.152 4.340 0.004 0.000 0.262 379 L C 0.615 177.553 176.870 0.113 0.000 1.006 379 L CA -0.901 53.938 54.840 -0.002 0.000 0.818 379 L CB 2.509 44.447 42.059 -0.202 0.000 1.354 379 L HN 0.596 nan 8.230 nan 0.000 0.415 380 C N -0.626 118.769 119.300 0.158 0.000 2.797 380 C HA 0.982 5.445 4.460 0.004 0.000 0.306 380 C C -0.097 175.061 174.990 0.281 0.000 1.207 380 C CA -0.507 58.665 59.018 0.257 0.000 1.507 380 C CB 1.146 29.055 27.740 0.283 0.000 2.028 380 C HN 0.922 nan 8.230 nan 0.000 0.475 381 T N 0.201 114.980 114.554 0.376 0.000 2.883 381 T HA 0.805 5.157 4.350 0.004 0.000 0.301 381 T C -1.305 173.732 174.700 0.563 0.000 1.158 381 T CA -0.577 61.801 62.100 0.463 0.000 1.007 381 T CB 1.676 70.782 68.868 0.396 0.000 1.186 381 T HN 1.861 nan 8.240 nan 0.000 0.499 382 L N 0.875 122.475 121.223 0.629 0.000 2.505 382 L HA 0.833 5.176 4.340 0.004 0.000 0.266 382 L C -1.349 175.798 176.870 0.463 0.000 0.954 382 L CA -0.588 54.594 54.840 0.570 0.000 0.852 382 L CB 1.754 44.131 42.059 0.531 0.000 1.282 382 L HN 1.200 nan 8.230 nan 0.000 0.403 383 A N 4.799 127.886 122.820 0.446 0.000 2.285 383 A HA 0.687 5.010 4.320 0.004 0.000 0.310 383 A C -1.537 176.228 177.584 0.301 0.000 1.266 383 A CA -0.207 52.009 52.037 0.298 0.000 0.832 383 A CB 0.203 19.507 19.000 0.507 0.000 1.163 383 A HN 0.619 nan 8.150 nan 0.000 0.499 384 F N 2.898 122.820 119.950 -0.046 0.000 2.402 384 F HA 0.717 5.248 4.527 0.007 0.000 0.355 384 F C -0.900 174.798 175.800 -0.170 0.000 1.123 384 F CA -0.390 57.612 58.000 0.004 0.000 1.021 384 F CB 0.921 39.911 39.000 -0.017 0.000 1.160 384 F HN 0.534 nan 8.300 nan 0.000 0.451 385 F N 2.450 122.479 119.950 0.132 0.000 2.618 385 F HA 0.492 5.023 4.527 0.006 0.000 0.332 385 F C -0.046 175.836 175.800 0.137 0.000 1.061 385 F CA -0.831 57.265 58.000 0.159 0.000 0.974 385 F CB 1.458 40.507 39.000 0.081 0.000 1.310 385 F HN 0.144 nan 8.300 nan 0.000 0.491 386 Q N 2.319 122.343 119.800 0.374 0.000 2.928 386 Q HA 0.335 4.678 4.340 0.004 0.000 0.353 386 Q C -1.650 174.498 176.000 0.247 0.000 0.870 386 Q CA -0.238 55.743 55.803 0.298 0.000 0.963 386 Q CB 1.676 30.612 28.738 0.330 0.000 1.419 386 Q HN 0.466 nan 8.270 nan 0.000 0.396 387 L N 0.278 121.619 121.223 0.196 0.000 2.439 387 L HA 0.465 4.808 4.340 0.004 0.000 0.270 387 L C -0.650 176.243 176.870 0.038 0.000 0.972 387 L CA -0.054 54.849 54.840 0.105 0.000 0.836 387 L CB 1.663 43.758 42.059 0.059 0.000 1.255 387 L HN 0.066 nan 8.230 nan 0.000 0.404 388 E N 5.663 125.887 120.200 0.039 0.000 2.227 388 E HA 0.534 4.886 4.350 0.004 0.000 0.268 388 E C -2.517 173.946 176.600 -0.229 0.000 0.990 388 E CA -1.903 54.500 56.400 0.005 0.000 0.856 388 E CB 1.513 31.301 29.700 0.147 0.000 1.159 388 E HN 0.409 nan 8.360 nan 0.000 0.401 389 P HA -0.020 nan 4.420 nan 0.000 0.279 389 P C -0.192 177.088 177.300 -0.033 0.000 1.252 389 P CA -0.559 62.514 63.100 -0.046 0.000 0.811 389 P CB 0.656 32.338 31.700 -0.030 0.000 1.035 390 W N 3.141 124.361 121.300 -0.133 0.000 2.470 390 W HA -0.161 4.501 4.660 0.003 0.000 0.341 390 W C 0.467 176.887 176.519 -0.165 0.000 1.199 390 W CA 1.111 58.364 57.345 -0.155 0.000 1.339 390 W CB -0.506 28.859 29.460 -0.159 0.000 1.178 390 W HN 0.677 nan 8.180 nan 0.000 0.578 391 N N 2.834 120.739 118.700 -1.323 0.000 2.758 391 N HA -0.285 4.458 4.740 0.004 0.000 0.248 391 N C -1.050 174.138 175.510 -0.535 0.000 1.076 391 N CA 1.479 53.909 53.050 -1.032 0.000 0.696 391 N CB -1.629 36.390 38.487 -0.781 0.000 0.979 391 N HN 0.514 nan 8.380 nan 0.000 0.550 392 D N -0.485 119.618 120.400 -0.494 0.000 2.383 392 D HA 0.223 4.866 4.640 0.004 0.000 0.252 392 D C -1.188 174.903 176.300 -0.349 0.000 1.166 392 D CA -1.662 52.121 54.000 -0.363 0.000 0.879 392 D CB 0.944 41.529 40.800 -0.359 0.000 1.164 392 D HN 0.121 nan 8.370 nan 0.000 0.462 393 P HA -0.161 nan 4.420 nan 0.000 0.215 393 P C 1.443 178.600 177.300 -0.238 0.000 1.153 393 P CA 0.489 63.453 63.100 -0.227 0.000 0.853 393 P CB 0.213 31.813 31.700 -0.167 0.000 0.788 394 V N -0.483 119.287 119.914 -0.240 0.000 2.295 394 V HA -0.290 3.832 4.120 0.004 0.000 0.246 394 V C 2.552 178.452 176.094 -0.324 0.000 1.049 394 V CA 2.103 64.257 62.300 -0.243 0.000 1.024 394 V CB -1.434 30.265 31.823 -0.207 0.000 0.648 394 V HN 0.197 nan 8.190 nan 0.000 0.447 395 C N -0.532 118.493 119.300 -0.458 0.000 2.425 395 C HA -0.128 4.335 4.460 0.004 0.000 0.277 395 C C 2.898 177.615 174.990 -0.455 0.000 1.280 395 C CA 1.288 59.870 59.018 -0.727 0.000 1.744 395 C CB -1.167 25.871 27.740 -1.170 0.000 1.989 395 C HN 0.570 nan 8.230 nan 0.000 0.491 396 R N 1.236 121.510 120.500 -0.377 0.000 2.075 396 R HA -0.163 4.180 4.340 0.004 0.000 0.232 396 R C 1.832 178.026 176.300 -0.177 0.000 1.126 396 R CA 2.295 58.237 56.100 -0.264 0.000 0.963 396 R CB -0.556 29.577 30.300 -0.277 0.000 0.858 396 R HN 0.592 nan 8.270 nan 0.000 0.435 397 D N 0.042 120.325 120.400 -0.196 0.000 2.097 397 D HA -0.169 4.474 4.640 0.004 0.000 0.195 397 D C 2.035 178.231 176.300 -0.172 0.000 0.989 397 D CA 1.328 55.221 54.000 -0.178 0.000 0.827 397 D CB -0.018 40.677 40.800 -0.175 0.000 0.966 397 D HN 0.274 nan 8.370 nan 0.000 0.456 398 L N -0.167 120.937 121.223 -0.199 0.000 2.046 398 L HA -0.139 4.203 4.340 0.004 0.000 0.208 398 L C 2.560 179.505 176.870 0.125 0.000 1.077 398 L CA 1.419 56.114 54.840 -0.242 0.000 0.747 398 L CB -0.636 41.083 42.059 -0.568 0.000 0.896 398 L HN 0.156 nan 8.230 nan 0.000 0.432 399 T N -0.809 113.870 114.554 0.207 0.000 2.788 399 T HA -0.169 4.184 4.350 0.004 0.000 0.268 399 T C 2.014 176.850 174.700 0.226 0.000 1.044 399 T CA 1.154 63.498 62.100 0.406 0.000 1.139 399 T CB -0.127 68.928 68.868 0.312 0.000 0.867 399 T HN 0.284 nan 8.240 nan 0.000 0.454 400 R N 0.598 121.066 120.500 -0.055 0.000 2.073 400 R HA -0.059 4.284 4.340 0.004 0.000 0.234 400 R C 2.785 178.664 176.300 -0.701 0.000 1.134 400 R CA 1.715 57.533 56.100 -0.470 0.000 0.952 400 R CB -0.728 29.243 30.300 -0.548 0.000 0.850 400 R HN 0.304 nan 8.270 nan 0.000 0.433 401 T N 1.352 115.717 114.554 -0.315 0.000 2.746 401 T HA -0.175 4.178 4.350 0.004 0.000 0.267 401 T C 1.382 176.126 174.700 0.074 0.000 1.039 401 T CA 1.425 63.441 62.100 -0.141 0.000 1.142 401 T CB -0.366 68.490 68.868 -0.020 0.000 0.866 401 T HN 0.206 nan 8.240 nan 0.000 0.444 402 F N 2.475 122.505 119.950 0.134 0.000 2.043 402 F HA -0.133 4.395 4.527 0.002 0.000 0.297 402 F C 2.198 178.094 175.800 0.160 0.000 1.121 402 F CA 1.543 59.674 58.000 0.218 0.000 1.199 402 F CB -0.728 38.473 39.000 0.334 0.000 0.968 402 F HN 0.168 nan 8.300 nan 0.000 0.478 403 E N -0.700 119.287 120.200 -0.355 0.000 2.085 403 E HA -0.256 4.097 4.350 0.004 0.000 0.194 403 E C 2.170 178.759 176.600 -0.017 0.000 0.994 403 E CA 1.746 57.982 56.400 -0.274 0.000 0.801 403 E CB -0.571 29.208 29.700 0.133 0.000 0.743 403 E HN 0.685 nan 8.360 nan 0.000 0.453 404 H N 0.011 118.885 119.070 -0.326 0.000 2.352 404 H HA -0.102 4.456 4.556 0.004 0.000 0.299 404 H C 2.238 177.502 175.328 -0.108 0.000 1.097 404 H CA 0.629 56.477 56.048 -0.333 0.000 1.311 404 H CB 0.014 29.531 29.762 -0.408 0.000 1.377 404 H HN 0.186 nan 8.280 nan 0.000 0.504 405 A N 1.334 124.187 122.820 0.055 0.000 1.902 405 A HA -0.143 4.179 4.320 0.004 0.000 0.217 405 A C 2.312 179.887 177.584 -0.015 0.000 1.181 405 A CA 1.228 53.279 52.037 0.024 0.000 0.623 405 A CB -0.344 18.696 19.000 0.066 0.000 0.818 405 A HN 0.224 nan 8.150 nan 0.000 0.443 406 I N -1.570 118.991 120.570 -0.015 0.000 2.179 406 I HA -0.216 3.957 4.170 0.004 0.000 0.242 406 I C 2.375 178.509 176.117 0.027 0.000 1.088 406 I CA 1.392 62.690 61.300 -0.003 0.000 1.357 406 I CB -1.569 36.364 38.000 -0.112 0.000 1.051 406 I HN 0.428 nan 8.210 nan 0.000 0.409 407 Y N 1.118 121.411 120.300 -0.011 0.000 2.224 407 Y HA -0.202 4.352 4.550 0.007 0.000 0.289 407 Y C 2.655 178.539 175.900 -0.026 0.000 1.146 407 Y CA 1.570 59.691 58.100 0.035 0.000 1.182 407 Y CB -0.426 38.102 38.460 0.112 0.000 0.983 407 Y HN 0.149 nan 8.280 nan 0.000 0.524 408 A N -0.283 122.581 122.820 0.073 0.000 1.902 408 A HA -0.227 4.096 4.320 0.004 0.000 0.217 408 A C 2.019 179.522 177.584 -0.135 0.000 1.181 408 A CA 1.880 53.902 52.037 -0.025 0.000 0.623 408 A CB -0.446 18.524 19.000 -0.049 0.000 0.818 408 A HN 0.518 nan 8.150 nan 0.000 0.443 409 Q N -2.919 116.701 119.800 -0.301 0.000 2.376 409 Q HA 0.081 4.424 4.340 0.004 0.000 0.206 409 Q C 0.473 176.066 176.000 -0.679 0.000 0.921 409 Q CA 0.834 56.258 55.803 -0.632 0.000 0.911 409 Q CB 0.267 28.324 28.738 -1.134 0.000 1.032 409 Q HN 0.911 nan 8.270 nan 0.000 0.510 410 Y N 0.138 120.401 120.300 -0.061 0.000 2.610 410 Y HA 0.117 4.672 4.550 0.010 0.000 0.254 410 Y C 0.470 176.304 175.900 -0.111 0.000 1.110 410 Y CA -0.815 57.236 58.100 -0.081 0.000 1.238 410 Y CB 0.764 39.162 38.460 -0.104 0.000 1.322 410 Y HN 0.031 nan 8.280 nan 0.000 0.547 411 Q N 1.643 121.431 119.800 -0.020 0.000 2.421 411 Q HA 0.285 4.627 4.340 0.004 0.000 0.255 411 Q C -0.477 175.525 176.000 0.003 0.000 1.013 411 Q CA -0.039 55.719 55.803 -0.074 0.000 0.895 411 Q CB 1.734 30.465 28.738 -0.012 0.000 1.271 411 Q HN 0.408 nan 8.270 nan 0.000 0.460 412 Q N 0.000 119.804 119.800 0.006 0.000 2.315 412 Q HA 0.000 4.343 4.340 0.004 0.000 0.214 412 Q CA 0.000 55.816 55.803 0.022 0.000 1.022 412 Q CB 0.000 28.751 28.738 0.022 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481