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 2c7d_1_M DATA FIRST_RESID 3 DATA SEQUENCE AKDVKFGNDA RVKMLRGVNV LADAVKVTLG PKGRNVVLDK SFGAPTITKD DATA SEQUENCE GVSVAREIEL EDKFENMGAQ MVKEVASKAN DAAGDGTTTA TVLAQAIITE DATA SEQUENCE GLKAVAAGMN PMDLKRGIDK AVTAAVEELK ALSVPCSDSK AIAQVGTISA DATA SEQUENCE NSDETVGKLI AEAMDKVGKE GVITVEDGTG LQDELDVVEG MQFDRGYLSP DATA SEQUENCE YFINKPETGA VELESPFILL ADKKISNIRE MLPVLEAVAK AGKPLLIIAE DATA SEQUENCE DVEGEALATL VVNTMRGIVK VAAVKAPGFG DRRKAMLQDI ATLTGGTVIS DATA SEQUENCE EEIGMELEKA TLEDLGQAKR VVINKDTTTI IDGVGEEAAI QGRVAQIRQQ DATA SEQUENCE IEEATSDYDR EKLQERVAKL AGGVAVIKVG AATEVEMKEK KARVEDALHA DATA SEQUENCE TRAAVEEGVV AGGGVALIRV ASKLADLRGQ NEDQNVGIKV ALRAMEAPLR DATA SEQUENCE QIVLNCGEEP SVVANTVKGG DGNYGYNAAT EEYGNMIDMG ILDPTKVTRS DATA SEQUENCE ALQYAASVAG LMITTECMVT DLP 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.584 177.584 0.000 0.000 1.274 3 A CA 0.000 52.038 52.037 0.003 0.000 0.836 3 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 4 K N 1.111 121.518 120.400 0.011 0.000 2.551 4 K HA 0.684 5.004 4.320 0.001 0.000 0.269 4 K C -1.940 174.686 176.600 0.044 0.000 0.949 4 K CA -0.470 55.826 56.287 0.014 0.000 0.849 4 K CB 2.620 35.130 32.500 0.016 0.000 1.411 4 K HN 0.837 nan 8.250 nan 0.000 0.432 5 D N 0.461 120.901 120.400 0.066 0.000 2.547 5 D HA 0.641 5.282 4.640 0.001 0.000 0.231 5 D C -1.432 174.984 176.300 0.193 0.000 1.099 5 D CA -0.530 53.562 54.000 0.153 0.000 0.901 5 D CB 1.926 42.872 40.800 0.244 0.000 1.478 5 D HN 0.238 nan 8.370 nan 0.000 0.471 6 V N -0.984 119.059 119.914 0.215 0.000 2.851 6 V HA 0.754 4.875 4.120 0.001 0.000 0.307 6 V C -1.312 174.850 176.094 0.113 0.000 1.129 6 V CA -0.769 61.624 62.300 0.154 0.000 0.932 6 V CB 1.828 33.700 31.823 0.081 0.000 1.024 6 V HN 0.516 nan 8.190 nan 0.000 0.426 7 K N 3.941 124.333 120.400 -0.014 0.000 2.501 7 K HA 0.686 5.007 4.320 0.001 0.000 0.252 7 K C -1.835 174.662 176.600 -0.171 0.000 0.934 7 K CA -0.355 55.877 56.287 -0.091 0.000 0.797 7 K CB 2.689 34.939 32.500 -0.416 0.000 1.270 7 K HN 0.628 nan 8.250 nan 0.000 0.431 8 F N 0.438 120.360 119.950 -0.046 0.000 2.497 8 F HA 0.550 5.077 4.527 0.000 0.000 0.331 8 F C 1.392 177.171 175.800 -0.035 0.000 1.060 8 F CA 0.555 58.542 58.000 -0.022 0.000 0.989 8 F CB 1.567 40.559 39.000 -0.013 0.000 1.245 8 F HN 0.834 nan 8.300 nan 0.000 0.486 9 G N 1.755 110.662 108.800 0.179 0.000 2.550 9 G HA2 -0.457 3.503 3.960 0.001 0.000 0.277 9 G HA3 -0.457 3.503 3.960 0.001 0.000 0.277 9 G C 0.837 175.765 174.900 0.046 0.000 1.190 9 G CA 0.764 45.927 45.100 0.106 0.000 0.971 9 G HN 0.861 nan 8.290 nan 0.000 0.559 10 N N 0.313 119.031 118.700 0.030 0.000 2.018 10 N HA -0.116 4.624 4.740 0.001 0.000 0.196 10 N C 1.756 177.262 175.510 -0.006 0.000 1.043 10 N CA 2.648 55.704 53.050 0.010 0.000 0.856 10 N CB -0.246 38.245 38.487 0.006 0.000 1.042 10 N HN 0.517 nan 8.380 nan 0.000 0.423 11 D N -0.346 120.041 120.400 -0.022 0.000 2.178 11 D HA -0.031 4.609 4.640 0.001 0.000 0.202 11 D C 1.797 178.044 176.300 -0.088 0.000 0.974 11 D CA 1.033 55.000 54.000 -0.055 0.000 0.841 11 D CB -0.540 40.218 40.800 -0.071 0.000 0.953 11 D HN 0.469 nan 8.370 nan 0.000 0.478 12 A N 1.171 123.939 122.820 -0.087 0.000 1.858 12 A HA -0.182 4.139 4.320 0.001 0.000 0.216 12 A C 2.191 179.768 177.584 -0.012 0.000 1.190 12 A CA 1.216 53.204 52.037 -0.081 0.000 0.617 12 A CB -0.450 18.512 19.000 -0.063 0.000 0.827 12 A HN 0.088 nan 8.150 nan 0.000 0.443 13 R N -0.708 119.791 120.500 -0.000 0.000 2.105 13 R HA -0.098 4.242 4.340 0.001 0.000 0.239 13 R C 2.041 178.347 176.300 0.011 0.000 1.135 13 R CA 1.442 57.549 56.100 0.012 0.000 0.967 13 R CB -0.579 29.730 30.300 0.014 0.000 0.861 13 R HN 0.403 nan 8.270 nan 0.000 0.442 14 V N 1.474 121.389 119.914 0.001 0.000 2.295 14 V HA -0.262 3.859 4.120 0.001 0.000 0.246 14 V C 2.325 178.425 176.094 0.010 0.000 1.049 14 V CA 1.641 63.942 62.300 0.002 0.000 1.024 14 V CB -0.357 31.462 31.823 -0.008 0.000 0.648 14 V HN 0.240 nan 8.190 nan 0.000 0.447 15 K N -0.538 119.867 120.400 0.008 0.000 2.026 15 K HA -0.167 4.154 4.320 0.001 0.000 0.208 15 K C 2.152 178.790 176.600 0.063 0.000 1.048 15 K CA 1.868 58.180 56.287 0.043 0.000 0.929 15 K CB -0.561 31.973 32.500 0.057 0.000 0.713 15 K HN 0.446 nan 8.250 nan 0.000 0.439 16 M N 0.742 120.379 119.600 0.062 0.000 2.082 16 M HA -0.232 4.249 4.480 0.001 0.000 0.258 16 M C 2.149 178.471 176.300 0.036 0.000 1.069 16 M CA 1.440 56.772 55.300 0.053 0.000 1.102 16 M CB -0.156 32.471 32.600 0.045 0.000 1.336 16 M HN 0.077 nan 8.290 nan 0.000 0.404 17 L N 0.643 121.882 121.223 0.028 0.000 1.989 17 L HA -0.213 4.128 4.340 0.001 0.000 0.211 17 L C 2.343 179.226 176.870 0.022 0.000 1.071 17 L CA 1.969 56.822 54.840 0.021 0.000 0.749 17 L CB -0.759 41.310 42.059 0.017 0.000 0.890 17 L HN 0.272 nan 8.230 nan 0.000 0.431 18 R N -0.577 119.937 120.500 0.023 0.000 2.103 18 R HA -0.164 4.176 4.340 0.001 0.000 0.242 18 R C 2.196 178.511 176.300 0.024 0.000 1.142 18 R CA 1.290 57.404 56.100 0.022 0.000 0.960 18 R CB -1.133 29.182 30.300 0.024 0.000 0.858 18 R HN 0.620 nan 8.270 nan 0.000 0.439 19 G N 0.537 109.356 108.800 0.031 0.000 2.446 19 G HA2 -0.236 3.725 3.960 0.001 0.000 0.217 19 G HA3 -0.236 3.725 3.960 0.001 0.000 0.217 19 G C 1.486 176.398 174.900 0.020 0.000 1.168 19 G CA 0.867 45.984 45.100 0.027 0.000 0.771 19 G HN 0.147 nan 8.290 nan 0.000 0.551 20 V N 1.305 121.231 119.914 0.021 0.000 2.295 20 V HA -0.233 3.887 4.120 0.001 0.000 0.246 20 V C 2.607 178.710 176.094 0.016 0.000 1.049 20 V CA 2.274 64.584 62.300 0.018 0.000 1.024 20 V CB -0.780 31.054 31.823 0.018 0.000 0.648 20 V HN 0.387 nan 8.190 nan 0.000 0.447 21 N N -0.110 118.600 118.700 0.016 0.000 2.043 21 N HA -0.165 4.576 4.740 0.001 0.000 0.193 21 N C 1.701 177.218 175.510 0.013 0.000 1.037 21 N CA 1.589 54.647 53.050 0.014 0.000 0.851 21 N CB -0.406 38.089 38.487 0.013 0.000 1.027 21 N HN 0.258 nan 8.380 nan 0.000 0.422 22 V N 1.207 121.129 119.914 0.013 0.000 2.392 22 V HA -0.177 3.943 4.120 0.001 0.000 0.249 22 V C 2.120 178.220 176.094 0.010 0.000 1.059 22 V CA 1.150 63.457 62.300 0.012 0.000 1.051 22 V CB -0.503 31.328 31.823 0.013 0.000 0.658 22 V HN 0.381 nan 8.190 nan 0.000 0.455 23 L N 0.427 121.657 121.223 0.011 0.000 1.993 23 L HA -0.036 4.305 4.340 0.001 0.000 0.206 23 L C 2.515 179.392 176.870 0.011 0.000 1.074 23 L CA 2.748 57.594 54.840 0.010 0.000 0.746 23 L CB -1.405 40.660 42.059 0.011 0.000 0.896 23 L HN 0.308 nan 8.230 nan 0.000 0.435 24 A N -0.553 122.274 122.820 0.013 0.000 1.898 24 A HA -0.178 4.142 4.320 0.001 0.000 0.216 24 A C 1.826 179.417 177.584 0.012 0.000 1.181 24 A CA 1.577 53.622 52.037 0.013 0.000 0.620 24 A CB -0.550 18.459 19.000 0.015 0.000 0.819 24 A HN 0.540 nan 8.150 nan 0.000 0.442 25 D N 0.000 120.407 120.400 0.011 0.000 2.269 25 D HA 0.077 4.717 4.640 0.001 0.000 0.208 25 D C 2.080 178.385 176.300 0.009 0.000 0.963 25 D CA 1.147 55.152 54.000 0.010 0.000 0.864 25 D CB -0.203 40.602 40.800 0.009 0.000 0.936 25 D HN 0.432 nan 8.370 nan 0.000 0.505 26 A N 0.552 123.377 122.820 0.008 0.000 1.840 26 A HA -0.087 4.233 4.320 0.001 0.000 0.214 26 A C 2.420 180.009 177.584 0.008 0.000 1.198 26 A CA 0.786 52.828 52.037 0.007 0.000 0.608 26 A CB -0.801 18.203 19.000 0.007 0.000 0.839 26 A HN 0.107 nan 8.150 nan 0.000 0.443 27 V N 0.406 120.326 119.914 0.009 0.000 2.546 27 V HA -0.290 3.830 4.120 0.001 0.000 0.254 27 V C 2.390 178.490 176.094 0.010 0.000 1.076 27 V CA 2.359 64.665 62.300 0.010 0.000 1.087 27 V CB -0.738 31.093 31.823 0.013 0.000 0.674 27 V HN 0.541 nan 8.190 nan 0.000 0.470 28 K N 0.055 120.461 120.400 0.010 0.000 2.211 28 K HA -0.108 4.213 4.320 0.001 0.000 0.203 28 K C 1.859 178.464 176.600 0.008 0.000 1.050 28 K CA 1.457 57.750 56.287 0.010 0.000 0.945 28 K CB -0.242 32.264 32.500 0.010 0.000 0.732 28 K HN 0.597 nan 8.250 nan 0.000 0.451 29 V N -0.819 119.100 119.914 0.007 0.000 3.444 29 V HA -0.085 4.036 4.120 0.001 0.000 0.271 29 V C 1.493 177.590 176.094 0.005 0.000 1.188 29 V CA 1.770 64.074 62.300 0.006 0.000 1.168 29 V CB -0.898 30.928 31.823 0.005 0.000 0.810 29 V HN 0.319 nan 8.190 nan 0.000 0.500 30 T N -2.836 111.721 114.554 0.006 0.000 3.023 30 T HA 0.346 4.697 4.350 0.001 0.000 0.253 30 T C 0.435 175.137 174.700 0.004 0.000 1.038 30 T CA -0.148 61.954 62.100 0.004 0.000 0.962 30 T CB 0.082 68.953 68.868 0.005 0.000 1.018 30 T HN 0.349 nan 8.240 nan 0.000 0.521 31 L N 2.992 124.218 121.223 0.005 0.000 2.410 31 L HA 0.556 4.897 4.340 0.001 0.000 0.273 31 L C 0.753 177.624 176.870 0.002 0.000 1.144 31 L CA 1.542 56.385 54.840 0.005 0.000 0.863 31 L CB -0.600 41.463 42.059 0.007 0.000 1.140 31 L HN 0.702 nan 8.230 nan 0.000 0.463 32 G N 4.592 113.392 108.800 -0.000 0.000 2.757 32 G HA2 -0.160 3.801 3.960 0.001 0.000 0.638 32 G HA3 -0.160 3.801 3.960 0.001 0.000 0.638 32 G C -2.149 172.746 174.900 -0.009 0.000 1.344 32 G CA -0.311 44.786 45.100 -0.005 0.000 0.855 32 G HN 0.561 nan 8.290 nan 0.000 0.537 33 P HA -0.016 nan 4.420 nan 0.000 0.216 33 P C 1.302 178.590 177.300 -0.019 0.000 1.153 33 P CA 1.474 64.561 63.100 -0.021 0.000 0.844 33 P CB 0.051 31.732 31.700 -0.032 0.000 0.787 34 K N -0.051 120.338 120.400 -0.019 0.000 2.487 34 K HA 0.142 4.463 4.320 0.001 0.000 0.192 34 K C 1.290 177.887 176.600 -0.006 0.000 1.027 34 K CA -0.115 56.164 56.287 -0.014 0.000 1.054 34 K CB -0.199 32.292 32.500 -0.014 0.000 0.824 34 K HN 0.136 nan 8.250 nan 0.000 0.510 35 G N 0.870 109.668 108.800 -0.005 0.000 2.572 35 G HA2 0.206 4.166 3.960 0.001 0.000 0.261 35 G HA3 0.206 4.166 3.960 0.001 0.000 0.261 35 G C -0.273 174.627 174.900 -0.001 0.000 1.197 35 G CA -0.534 44.565 45.100 -0.001 0.000 0.870 35 G HN 0.168 nan 8.290 nan 0.000 0.548 36 R N -0.276 120.224 120.500 0.001 0.000 2.527 36 R HA 0.388 4.729 4.340 0.001 0.000 0.243 36 R C -0.491 175.810 176.300 0.001 0.000 1.206 36 R CA -0.720 55.380 56.100 0.001 0.000 1.134 36 R CB 0.459 30.760 30.300 0.002 0.000 1.347 36 R HN 0.461 nan 8.270 nan 0.000 0.580 37 N N -0.909 117.791 118.700 0.001 0.000 2.404 37 N HA 0.487 5.228 4.740 0.001 0.000 0.297 37 N C -1.386 174.125 175.510 0.002 0.000 1.163 37 N CA -0.669 52.383 53.050 0.002 0.000 0.864 37 N CB 1.974 40.461 38.487 0.001 0.000 1.247 37 N HN 0.119 nan 8.380 nan 0.000 0.510 38 V N 0.631 120.547 119.914 0.003 0.000 2.735 38 V HA 0.521 4.642 4.120 0.001 0.000 0.310 38 V C -0.547 175.549 176.094 0.003 0.000 1.061 38 V CA -0.785 61.517 62.300 0.003 0.000 0.913 38 V CB 2.231 34.057 31.823 0.004 0.000 1.005 38 V HN 0.330 nan 8.190 nan 0.000 0.428 39 V N 5.436 125.351 119.914 0.002 0.000 2.459 39 V HA 0.547 4.668 4.120 0.001 0.000 0.295 39 V C -0.497 175.598 176.094 0.001 0.000 1.029 39 V CA -0.515 61.786 62.300 0.002 0.000 0.874 39 V CB 1.677 33.501 31.823 0.001 0.000 0.985 39 V HN 0.627 nan 8.190 nan 0.000 0.438 40 L N 3.695 124.920 121.223 0.003 0.000 2.342 40 L HA 0.516 4.857 4.340 0.001 0.000 0.276 40 L C -0.562 176.307 176.870 -0.001 0.000 0.997 40 L CA -0.470 54.370 54.840 0.001 0.000 0.838 40 L CB 1.751 43.813 42.059 0.006 0.000 1.224 40 L HN 0.575 nan 8.230 nan 0.000 0.416 41 D N 3.596 123.991 120.400 -0.009 0.000 2.304 41 D HA 0.400 5.041 4.640 0.001 0.000 0.247 41 D C -0.775 175.508 176.300 -0.030 0.000 1.089 41 D CA 0.130 54.120 54.000 -0.017 0.000 0.910 41 D CB 0.983 41.771 40.800 -0.021 0.000 1.199 41 D HN 0.352 nan 8.370 nan 0.000 0.426 42 K N 1.040 121.417 120.400 -0.038 0.000 2.525 42 K HA 0.215 4.535 4.320 0.001 0.000 0.254 42 K C 0.630 177.158 176.600 -0.120 0.000 0.934 42 K CA -0.624 55.622 56.287 -0.067 0.000 0.802 42 K CB 1.818 34.320 32.500 0.003 0.000 1.295 42 K HN 0.354 nan 8.250 nan 0.000 0.433 43 S N 0.960 116.494 115.700 -0.277 0.000 2.402 43 S HA -0.104 4.367 4.470 0.001 0.000 0.229 43 S C 1.240 175.685 174.600 -0.259 0.000 1.021 43 S CA 0.904 58.899 58.200 -0.341 0.000 0.974 43 S CB -0.376 62.500 63.200 -0.540 0.000 0.800 43 S HN 0.510 nan 8.310 nan 0.000 0.484 44 F N 2.539 122.487 119.950 -0.003 0.000 2.795 44 F HA 0.442 4.970 4.527 0.002 0.000 0.303 44 F C 1.896 177.695 175.800 -0.003 0.000 1.186 44 F CA -0.219 57.779 58.000 -0.003 0.000 1.415 44 F CB -0.517 38.481 39.000 -0.004 0.000 1.106 44 F HN 0.482 nan 8.300 nan 0.000 0.558 45 G N -1.170 107.697 108.800 0.112 0.000 3.611 45 G HA2 0.344 4.305 3.960 0.001 0.000 0.217 45 G HA3 0.344 4.305 3.960 0.001 0.000 0.217 45 G C -0.085 174.837 174.900 0.038 0.000 1.023 45 G CA -0.029 45.113 45.100 0.070 0.000 0.887 45 G HN 0.608 nan 8.290 nan 0.000 0.420 46 A N -0.352 122.489 122.820 0.036 0.000 2.586 46 A HA 0.799 5.119 4.320 0.001 0.000 0.291 46 A C -3.139 174.456 177.584 0.018 0.000 1.062 46 A CA -0.498 51.551 52.037 0.020 0.000 0.666 46 A CB 0.456 19.468 19.000 0.021 0.000 1.281 46 A HN 0.152 nan 8.150 nan 0.000 0.421 47 P HA 0.475 nan 4.420 nan 0.000 0.272 47 P C -0.376 176.933 177.300 0.015 0.000 1.254 47 P CA 0.185 63.290 63.100 0.008 0.000 0.795 47 P CB 0.464 32.166 31.700 0.003 0.000 1.022 48 T N 0.251 114.813 114.554 0.013 0.000 2.952 48 T HA 0.542 4.892 4.350 0.001 0.000 0.305 48 T C -0.426 174.280 174.700 0.010 0.000 1.064 48 T CA -0.270 61.839 62.100 0.014 0.000 1.008 48 T CB 0.598 69.477 68.868 0.019 0.000 1.078 48 T HN 0.050 nan 8.240 nan 0.000 0.459 49 I N 2.326 122.901 120.570 0.009 0.000 2.336 49 I HA 0.617 4.788 4.170 0.001 0.000 0.292 49 I C 0.590 176.711 176.117 0.007 0.000 0.991 49 I CA -0.100 61.204 61.300 0.006 0.000 1.227 49 I CB 1.724 39.727 38.000 0.005 0.000 1.366 49 I HN 0.558 nan 8.210 nan 0.000 0.466 50 T N 4.065 118.623 114.554 0.006 0.000 2.883 50 T HA 0.468 4.818 4.350 0.001 0.000 0.296 50 T C 0.127 174.830 174.700 0.006 0.000 1.117 50 T CA -0.532 61.572 62.100 0.007 0.000 1.006 50 T CB 1.490 70.363 68.868 0.008 0.000 1.191 50 T HN 0.708 nan 8.240 nan 0.000 0.508 51 K N 0.598 121.001 120.400 0.006 0.000 2.477 51 K HA 0.240 4.561 4.320 0.001 0.000 0.208 51 K C -0.520 176.084 176.600 0.007 0.000 1.117 51 K CA -0.156 56.134 56.287 0.005 0.000 1.039 51 K CB 0.480 32.982 32.500 0.004 0.000 0.937 51 K HN 0.655 nan 8.250 nan 0.000 0.570 52 D N -1.696 118.709 120.400 0.008 0.000 2.181 52 D HA 0.204 4.845 4.640 0.001 0.000 0.248 52 D C 1.157 177.464 176.300 0.011 0.000 1.020 52 D CA -0.398 53.608 54.000 0.010 0.000 0.891 52 D CB 1.672 42.479 40.800 0.011 0.000 1.187 52 D HN 0.026 nan 8.370 nan 0.000 0.443 53 G N 1.505 110.312 108.800 0.013 0.000 2.418 53 G HA2 -0.210 3.751 3.960 0.001 0.000 0.217 53 G HA3 -0.210 3.751 3.960 0.001 0.000 0.217 53 G C 1.411 176.320 174.900 0.014 0.000 1.158 53 G CA 0.679 45.787 45.100 0.014 0.000 0.771 53 G HN 0.440 nan 8.290 nan 0.000 0.545 54 V N 0.710 120.633 119.914 0.015 0.000 2.667 54 V HA -0.101 4.020 4.120 0.001 0.000 0.252 54 V C 2.954 179.054 176.094 0.011 0.000 1.065 54 V CA 2.359 64.666 62.300 0.013 0.000 1.083 54 V CB -0.240 31.591 31.823 0.013 0.000 0.692 54 V HN 0.355 nan 8.190 nan 0.000 0.468 55 S N -0.101 115.606 115.700 0.011 0.000 2.353 55 S HA -0.191 4.280 4.470 0.001 0.000 0.222 55 S C 1.884 176.490 174.600 0.011 0.000 1.035 55 S CA 1.787 59.994 58.200 0.011 0.000 1.025 55 S CB -0.335 62.871 63.200 0.011 0.000 0.902 55 S HN 0.478 nan 8.310 nan 0.000 0.440 56 V N 2.067 121.987 119.914 0.010 0.000 2.358 56 V HA -0.169 3.952 4.120 0.001 0.000 0.246 56 V C 2.674 178.773 176.094 0.008 0.000 1.047 56 V CA 1.603 63.908 62.300 0.009 0.000 1.035 56 V CB -1.293 30.535 31.823 0.008 0.000 0.658 56 V HN 0.538 nan 8.190 nan 0.000 0.452 57 A N 0.076 122.901 122.820 0.009 0.000 1.908 57 A HA -0.261 4.059 4.320 0.001 0.000 0.218 57 A C 2.352 179.940 177.584 0.006 0.000 1.181 57 A CA 2.006 54.048 52.037 0.008 0.000 0.627 57 A CB -0.538 18.468 19.000 0.009 0.000 0.818 57 A HN 0.515 nan 8.150 nan 0.000 0.445 58 R N -0.603 119.901 120.500 0.007 0.000 2.189 58 R HA -0.044 4.297 4.340 0.001 0.000 0.223 58 R C 1.592 177.898 176.300 0.010 0.000 1.092 58 R CA 0.953 57.057 56.100 0.008 0.000 0.989 58 R CB -0.087 30.218 30.300 0.009 0.000 0.876 58 R HN 0.501 nan 8.270 nan 0.000 0.457 59 E N 0.445 120.651 120.200 0.009 0.000 2.358 59 E HA -0.052 4.299 4.350 0.001 0.000 0.195 59 E C 0.319 176.921 176.600 0.002 0.000 1.010 59 E CA 0.467 56.871 56.400 0.007 0.000 0.856 59 E CB 0.220 29.923 29.700 0.005 0.000 0.795 59 E HN 0.166 nan 8.360 nan 0.000 0.504 60 I N 2.431 123.003 120.570 0.003 0.000 2.372 60 I HA 0.069 4.240 4.170 0.001 0.000 0.298 60 I C 0.377 176.493 176.117 -0.001 0.000 1.137 60 I CA 0.301 61.601 61.300 0.001 0.000 1.314 60 I CB -0.453 37.549 38.000 0.003 0.000 1.444 60 I HN -0.066 nan 8.210 nan 0.000 0.541 61 E N 7.038 127.236 120.200 -0.003 0.000 2.316 61 E HA 0.320 4.671 4.350 0.001 0.000 0.254 61 E C -1.081 175.515 176.600 -0.007 0.000 0.902 61 E CA -0.587 55.809 56.400 -0.007 0.000 0.801 61 E CB 1.557 31.253 29.700 -0.006 0.000 1.270 61 E HN 0.215 nan 8.360 nan 0.000 0.414 62 L N 2.612 123.831 121.223 -0.007 0.000 2.855 62 L HA 0.344 4.685 4.340 0.001 0.000 0.204 62 L C 1.645 178.512 176.870 -0.006 0.000 1.206 62 L CA 0.387 55.225 54.840 -0.003 0.000 0.942 62 L CB -0.206 41.856 42.059 0.005 0.000 1.832 62 L HN 0.753 nan 8.230 nan 0.000 0.522 63 E N -0.851 119.349 120.200 0.000 0.000 2.256 63 E HA -0.055 4.295 4.350 0.001 0.000 0.198 63 E C 0.089 176.691 176.600 0.004 0.000 0.908 63 E CA -0.270 56.130 56.400 -0.000 0.000 0.915 63 E CB 0.430 30.133 29.700 0.005 0.000 0.890 63 E HN 0.592 nan 8.360 nan 0.000 0.484 64 D N 1.368 121.783 120.400 0.024 0.000 2.412 64 D HA -0.058 4.582 4.640 0.001 0.000 0.257 64 D C 0.693 177.004 176.300 0.019 0.000 1.217 64 D CA 0.106 54.138 54.000 0.054 0.000 0.897 64 D CB 0.952 41.804 40.800 0.087 0.000 1.132 64 D HN 0.036 nan 8.370 nan 0.000 0.493 65 K N 3.592 123.962 120.400 -0.050 0.000 2.097 65 K HA -0.135 4.186 4.320 0.001 0.000 0.206 65 K C 1.870 178.319 176.600 -0.251 0.000 1.049 65 K CA 1.038 57.194 56.287 -0.217 0.000 0.933 65 K CB -0.295 31.959 32.500 -0.410 0.000 0.717 65 K HN 0.497 nan 8.250 nan 0.000 0.442 66 F N 1.812 121.754 119.950 -0.014 0.000 2.259 66 F HA -0.035 4.492 4.527 0.000 0.000 0.298 66 F C 2.268 178.060 175.800 -0.014 0.000 1.088 66 F CA 0.895 58.885 58.000 -0.018 0.000 1.358 66 F CB -0.254 38.736 39.000 -0.017 0.000 1.040 66 F HN 0.094 nan 8.300 nan 0.000 0.505 67 E N -0.014 120.280 120.200 0.158 0.000 2.072 67 E HA -0.200 4.150 4.350 0.001 0.000 0.190 67 E C 1.677 178.299 176.600 0.037 0.000 0.982 67 E CA 1.133 57.583 56.400 0.082 0.000 0.803 67 E CB -0.398 29.343 29.700 0.067 0.000 0.755 67 E HN 0.348 nan 8.360 nan 0.000 0.453 68 N N 0.798 119.505 118.700 0.011 0.000 2.223 68 N HA -0.131 4.610 4.740 0.001 0.000 0.185 68 N C 1.804 177.300 175.510 -0.023 0.000 1.016 68 N CA 1.021 54.062 53.050 -0.014 0.000 0.863 68 N CB 0.020 38.487 38.487 -0.034 0.000 0.983 68 N HN 0.068 nan 8.380 nan 0.000 0.429 69 M N -0.775 118.805 119.600 -0.034 0.000 2.106 69 M HA -0.113 4.368 4.480 0.001 0.000 0.259 69 M C 2.168 178.466 176.300 -0.003 0.000 1.068 69 M CA 1.800 57.082 55.300 -0.029 0.000 1.100 69 M CB -0.632 31.948 32.600 -0.033 0.000 1.351 69 M HN 0.333 nan 8.290 nan 0.000 0.404 70 G N -0.314 108.495 108.800 0.016 0.000 2.421 70 G HA2 -0.130 3.830 3.960 0.001 0.000 0.216 70 G HA3 -0.130 3.830 3.960 0.001 0.000 0.216 70 G C 1.608 176.515 174.900 0.011 0.000 1.171 70 G CA 0.964 46.075 45.100 0.019 0.000 0.775 70 G HN 0.551 nan 8.290 nan 0.000 0.543 71 A N 0.076 122.901 122.820 0.009 0.000 1.902 71 A HA -0.091 4.230 4.320 0.001 0.000 0.217 71 A C 2.397 179.981 177.584 -0.000 0.000 1.181 71 A CA 1.968 54.008 52.037 0.005 0.000 0.623 71 A CB -0.376 18.626 19.000 0.004 0.000 0.818 71 A HN 0.318 nan 8.150 nan 0.000 0.443 72 Q N -0.672 119.124 119.800 -0.007 0.000 2.124 72 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 72 Q C 2.160 178.154 176.000 -0.009 0.000 0.977 72 Q CA 1.574 57.370 55.803 -0.012 0.000 0.850 72 Q CB -0.471 28.254 28.738 -0.021 0.000 0.901 72 Q HN 0.788 nan 8.270 nan 0.000 0.429 73 M N 0.009 119.606 119.600 -0.005 0.000 2.099 73 M HA -0.136 4.344 4.480 0.001 0.000 0.262 73 M C 2.210 178.513 176.300 0.005 0.000 1.067 73 M CA 1.341 56.641 55.300 -0.001 0.000 1.124 73 M CB -0.273 32.329 32.600 0.003 0.000 1.353 73 M HN 0.058 nan 8.290 nan 0.000 0.410 74 V N -1.448 118.471 119.914 0.010 0.000 2.871 74 V HA -0.142 3.979 4.120 0.001 0.000 0.256 74 V C 2.118 178.219 176.094 0.013 0.000 1.082 74 V CA 1.381 63.690 62.300 0.015 0.000 1.105 74 V CB -1.143 30.690 31.823 0.017 0.000 0.713 74 V HN 0.441 nan 8.190 nan 0.000 0.473 75 K N 0.812 121.215 120.400 0.006 0.000 2.057 75 K HA -0.267 4.053 4.320 0.001 0.000 0.207 75 K C 2.238 178.837 176.600 -0.001 0.000 1.049 75 K CA 2.008 58.296 56.287 0.003 0.000 0.931 75 K CB -0.044 32.455 32.500 -0.002 0.000 0.714 75 K HN 0.510 nan 8.250 nan 0.000 0.440 76 E N 0.490 120.686 120.200 -0.007 0.000 2.051 76 E HA -0.141 4.210 4.350 0.001 0.000 0.192 76 E C 1.793 178.386 176.600 -0.012 0.000 0.991 76 E CA 1.127 57.515 56.400 -0.019 0.000 0.799 76 E CB -0.354 29.329 29.700 -0.027 0.000 0.748 76 E HN 0.108 nan 8.360 nan 0.000 0.449 77 V N 0.250 120.170 119.914 0.010 0.000 2.490 77 V HA -0.219 3.902 4.120 0.001 0.000 0.250 77 V C 2.114 178.245 176.094 0.062 0.000 1.061 77 V CA 1.905 64.232 62.300 0.045 0.000 1.064 77 V CB -0.569 31.292 31.823 0.064 0.000 0.670 77 V HN 0.472 nan 8.190 nan 0.000 0.461 78 A N -1.596 121.247 122.820 0.039 0.000 1.930 78 A HA -0.172 4.149 4.320 0.001 0.000 0.217 78 A C 2.516 180.119 177.584 0.032 0.000 1.175 78 A CA 2.038 54.098 52.037 0.038 0.000 0.627 78 A CB -0.657 18.357 19.000 0.025 0.000 0.815 78 A HN 0.512 nan 8.150 nan 0.000 0.443 79 S N -0.839 114.869 115.700 0.013 0.000 2.371 79 S HA -0.103 4.368 4.470 0.001 0.000 0.224 79 S C 2.110 176.707 174.600 -0.005 0.000 1.029 79 S CA 1.192 59.392 58.200 -0.000 0.000 0.978 79 S CB -0.248 62.942 63.200 -0.018 0.000 0.833 79 S HN 0.421 nan 8.310 nan 0.000 0.466 80 K N 1.409 121.792 120.400 -0.029 0.000 2.160 80 K HA -0.050 4.271 4.320 0.001 0.000 0.206 80 K C 2.129 178.773 176.600 0.073 0.000 1.047 80 K CA 1.140 57.367 56.287 -0.099 0.000 0.930 80 K CB -0.780 31.546 32.500 -0.290 0.000 0.720 80 K HN 0.437 nan 8.250 nan 0.000 0.450 81 A N 1.819 124.740 122.820 0.169 0.000 1.835 81 A HA -0.205 4.116 4.320 0.001 0.000 0.215 81 A C 2.051 179.700 177.584 0.108 0.000 1.199 81 A CA 1.834 53.981 52.037 0.182 0.000 0.615 81 A CB -0.734 18.340 19.000 0.124 0.000 0.838 81 A HN 0.413 nan 8.150 nan 0.000 0.444 82 N N -0.555 118.182 118.700 0.061 0.000 2.381 82 N HA -0.140 4.601 4.740 0.001 0.000 0.182 82 N C 0.733 176.257 175.510 0.024 0.000 1.025 82 N CA 1.249 54.322 53.050 0.038 0.000 0.888 82 N CB -0.177 38.324 38.487 0.024 0.000 0.965 82 N HN 0.417 nan 8.380 nan 0.000 0.438 83 D N 0.160 120.569 120.400 0.015 0.000 2.137 83 D HA -0.011 4.630 4.640 0.001 0.000 0.202 83 D C 1.294 177.599 176.300 0.008 0.000 0.970 83 D CA 0.907 54.903 54.000 -0.008 0.000 0.837 83 D CB 0.084 40.862 40.800 -0.037 0.000 0.981 83 D HN 0.344 nan 8.370 nan 0.000 0.475 84 A N -0.545 122.305 122.820 0.050 0.000 2.324 84 A HA 0.579 4.899 4.320 0.001 0.000 0.220 84 A C 1.544 179.205 177.584 0.128 0.000 1.209 84 A CA 0.831 52.922 52.037 0.092 0.000 0.918 84 A CB 0.697 19.769 19.000 0.119 0.000 0.959 84 A HN 0.179 nan 8.150 nan 0.000 0.507 85 A N -2.935 119.955 122.820 0.118 0.000 2.150 85 A HA 0.505 4.826 4.320 0.001 0.000 0.191 85 A C 1.652 179.276 177.584 0.067 0.000 1.591 85 A CA 1.194 53.285 52.037 0.089 0.000 1.142 85 A CB -0.150 18.900 19.000 0.085 0.000 1.326 85 A HN 1.820 nan 8.150 nan 0.000 0.470 86 G N -0.159 108.679 108.800 0.063 0.000 3.922 86 G HA2 -0.223 3.738 3.960 0.001 0.000 0.208 86 G HA3 -0.223 3.738 3.960 0.001 0.000 0.208 86 G C 0.121 175.046 174.900 0.042 0.000 1.491 86 G CA 0.404 45.534 45.100 0.050 0.000 1.017 86 G HN 0.597 nan 8.290 nan 0.000 0.603 87 D N 1.287 121.709 120.400 0.038 0.000 2.432 87 D HA 0.507 5.148 4.640 0.001 0.000 0.258 87 D C 1.392 177.711 176.300 0.031 0.000 1.146 87 D CA 1.240 55.258 54.000 0.029 0.000 1.015 87 D CB 0.800 41.612 40.800 0.020 0.000 1.107 87 D HN 1.689 nan 8.370 nan 0.000 0.529 88 G N -0.235 108.580 108.800 0.024 0.000 2.144 88 G HA2 -0.299 3.662 3.960 0.001 0.000 0.218 88 G HA3 -0.299 3.662 3.960 0.001 0.000 0.218 88 G C 1.055 175.974 174.900 0.033 0.000 0.988 88 G CA 1.236 46.349 45.100 0.022 0.000 0.659 88 G HN 0.619 nan 8.290 nan 0.000 0.522 89 T N -2.168 112.407 114.554 0.035 0.000 2.622 89 T HA -0.164 4.186 4.350 0.001 0.000 0.266 89 T C 2.222 176.941 174.700 0.031 0.000 1.047 89 T CA 2.737 64.859 62.100 0.037 0.000 1.159 89 T CB -0.843 68.043 68.868 0.029 0.000 0.863 89 T HN 0.356 nan 8.240 nan 0.000 0.422 90 T N 1.740 116.308 114.554 0.023 0.000 2.821 90 T HA -0.071 4.280 4.350 0.001 0.000 0.267 90 T C 2.282 176.994 174.700 0.019 0.000 1.046 90 T CA 1.759 63.870 62.100 0.019 0.000 1.139 90 T CB -0.965 67.912 68.868 0.014 0.000 0.871 90 T HN 0.578 nan 8.240 nan 0.000 0.454 91 T N 2.262 116.826 114.554 0.017 0.000 2.684 91 T HA -0.092 4.259 4.350 0.001 0.000 0.267 91 T C 2.432 177.141 174.700 0.014 0.000 1.036 91 T CA 1.267 63.374 62.100 0.011 0.000 1.148 91 T CB -0.648 68.223 68.868 0.005 0.000 0.863 91 T HN 0.443 nan 8.240 nan 0.000 0.436 92 A N 1.463 124.298 122.820 0.025 0.000 1.908 92 A HA -0.150 4.171 4.320 0.001 0.000 0.218 92 A C 2.580 180.187 177.584 0.039 0.000 1.181 92 A CA 2.178 54.238 52.037 0.039 0.000 0.627 92 A CB -1.326 17.722 19.000 0.080 0.000 0.818 92 A HN 0.504 nan 8.150 nan 0.000 0.445 93 T N -0.495 114.080 114.554 0.035 0.000 2.746 93 T HA -0.106 4.245 4.350 0.001 0.000 0.267 93 T C 1.870 176.583 174.700 0.022 0.000 1.039 93 T CA 1.495 63.612 62.100 0.029 0.000 1.142 93 T CB -0.438 68.445 68.868 0.025 0.000 0.866 93 T HN 0.145 nan 8.240 nan 0.000 0.444 94 V N 1.440 121.365 119.914 0.019 0.000 2.295 94 V HA -0.112 4.009 4.120 0.001 0.000 0.246 94 V C 2.494 178.597 176.094 0.014 0.000 1.049 94 V CA 1.483 63.792 62.300 0.015 0.000 1.024 94 V CB -0.633 31.198 31.823 0.013 0.000 0.648 94 V HN 0.423 nan 8.190 nan 0.000 0.447 95 L N -0.168 121.063 121.223 0.014 0.000 2.046 95 L HA -0.156 4.184 4.340 0.001 0.000 0.208 95 L C 2.727 179.607 176.870 0.017 0.000 1.077 95 L CA 1.541 56.388 54.840 0.012 0.000 0.747 95 L CB -0.814 41.248 42.059 0.006 0.000 0.896 95 L HN 0.362 nan 8.230 nan 0.000 0.432 96 A N 0.689 123.523 122.820 0.023 0.000 1.865 96 A HA -0.296 4.025 4.320 0.001 0.000 0.217 96 A C 2.258 179.854 177.584 0.021 0.000 1.191 96 A CA 2.007 54.060 52.037 0.027 0.000 0.623 96 A CB -0.766 18.254 19.000 0.033 0.000 0.826 96 A HN 0.627 nan 8.150 nan 0.000 0.444 97 Q N -0.656 119.155 119.800 0.019 0.000 2.170 97 Q HA 0.006 4.347 4.340 0.001 0.000 0.203 97 Q C 1.978 177.987 176.000 0.015 0.000 0.976 97 Q CA 1.791 57.603 55.803 0.017 0.000 0.858 97 Q CB -0.532 28.215 28.738 0.015 0.000 0.907 97 Q HN 0.502 nan 8.270 nan 0.000 0.433 98 A N 1.397 124.225 122.820 0.014 0.000 1.872 98 A HA -0.051 4.270 4.320 0.001 0.000 0.214 98 A C 2.142 179.733 177.584 0.012 0.000 1.187 98 A CA 1.204 53.248 52.037 0.012 0.000 0.614 98 A CB -0.543 18.464 19.000 0.011 0.000 0.826 98 A HN 0.414 nan 8.150 nan 0.000 0.442 99 I N -0.334 120.244 120.570 0.014 0.000 2.315 99 I HA -0.229 3.942 4.170 0.001 0.000 0.248 99 I C 2.217 178.343 176.117 0.015 0.000 1.117 99 I CA 1.094 62.403 61.300 0.014 0.000 1.404 99 I CB -0.331 37.678 38.000 0.016 0.000 1.071 99 I HN 0.282 nan 8.210 nan 0.000 0.419 100 I N 0.370 120.950 120.570 0.016 0.000 2.226 100 I HA -0.271 3.900 4.170 0.001 0.000 0.245 100 I C 2.567 178.692 176.117 0.014 0.000 1.100 100 I CA 1.546 62.856 61.300 0.016 0.000 1.374 100 I CB -0.568 37.443 38.000 0.017 0.000 1.057 100 I HN 0.216 nan 8.210 nan 0.000 0.413 101 T N 0.175 114.737 114.554 0.013 0.000 2.674 101 T HA -0.154 4.197 4.350 0.001 0.000 0.265 101 T C 1.798 176.504 174.700 0.011 0.000 1.039 101 T CA 1.287 63.394 62.100 0.012 0.000 1.150 101 T CB -0.169 68.706 68.868 0.011 0.000 0.864 101 T HN 0.293 nan 8.240 nan 0.000 0.427 102 E N 0.590 120.796 120.200 0.011 0.000 2.208 102 E HA 0.034 4.385 4.350 0.001 0.000 0.193 102 E C 2.498 179.104 176.600 0.010 0.000 0.988 102 E CA 0.750 57.156 56.400 0.010 0.000 0.828 102 E CB -0.614 29.091 29.700 0.009 0.000 0.763 102 E HN 0.569 nan 8.360 nan 0.000 0.478 103 G N 1.284 110.091 108.800 0.012 0.000 2.394 103 G HA2 -0.176 3.785 3.960 0.001 0.000 0.215 103 G HA3 -0.176 3.785 3.960 0.001 0.000 0.215 103 G C 1.740 176.647 174.900 0.013 0.000 1.165 103 G CA 0.228 45.335 45.100 0.013 0.000 0.784 103 G HN 0.150 nan 8.290 nan 0.000 0.535 104 L N 0.138 121.369 121.223 0.013 0.000 2.083 104 L HA -0.052 4.289 4.340 0.001 0.000 0.209 104 L C 2.819 179.696 176.870 0.011 0.000 1.083 104 L CA 1.407 56.255 54.840 0.013 0.000 0.752 104 L CB -0.298 41.769 42.059 0.013 0.000 0.899 104 L HN 0.206 nan 8.230 nan 0.000 0.433 105 K N 0.361 120.767 120.400 0.010 0.000 2.057 105 K HA -0.208 4.113 4.320 0.001 0.000 0.207 105 K C 2.125 178.730 176.600 0.009 0.000 1.049 105 K CA 1.428 57.720 56.287 0.009 0.000 0.931 105 K CB -0.071 32.434 32.500 0.008 0.000 0.714 105 K HN 0.286 nan 8.250 nan 0.000 0.440 106 A N 0.584 123.410 122.820 0.009 0.000 1.930 106 A HA -0.095 4.226 4.320 0.001 0.000 0.217 106 A C 2.205 179.795 177.584 0.010 0.000 1.175 106 A CA 1.433 53.475 52.037 0.009 0.000 0.627 106 A CB -0.527 18.479 19.000 0.010 0.000 0.815 106 A HN 0.173 nan 8.150 nan 0.000 0.443 107 V N -0.160 119.761 119.914 0.012 0.000 2.407 107 V HA -0.255 3.865 4.120 0.001 0.000 0.248 107 V C 2.996 179.098 176.094 0.012 0.000 1.055 107 V CA 1.917 64.225 62.300 0.013 0.000 1.049 107 V CB -1.084 30.748 31.823 0.015 0.000 0.662 107 V HN 0.610 nan 8.190 nan 0.000 0.455 108 A N -0.213 122.614 122.820 0.011 0.000 2.015 108 A HA 0.049 4.370 4.320 0.001 0.000 0.219 108 A C 2.249 179.838 177.584 0.008 0.000 1.163 108 A CA 1.507 53.550 52.037 0.009 0.000 0.646 108 A CB -0.495 18.510 19.000 0.008 0.000 0.806 108 A HN 0.570 nan 8.150 nan 0.000 0.448 109 A N -1.626 121.198 122.820 0.008 0.000 2.235 109 A HA 0.390 4.710 4.320 0.001 0.000 0.208 109 A C 1.768 179.356 177.584 0.007 0.000 1.172 109 A CA 1.230 53.271 52.037 0.007 0.000 0.786 109 A CB -0.922 18.082 19.000 0.006 0.000 0.804 109 A HN 1.841 nan 8.150 nan 0.000 0.479 110 G N -2.048 106.757 108.800 0.008 0.000 2.132 110 G HA2 -0.237 3.724 3.960 0.001 0.000 0.234 110 G HA3 -0.237 3.724 3.960 0.001 0.000 0.234 110 G C 0.016 174.921 174.900 0.009 0.000 0.989 110 G CA 0.404 45.509 45.100 0.008 0.000 0.676 110 G HN 0.340 nan 8.290 nan 0.000 0.522 111 M N 0.770 120.375 119.600 0.009 0.000 2.240 111 M HA 0.338 4.819 4.480 0.001 0.000 0.333 111 M C 0.770 177.076 176.300 0.011 0.000 1.110 111 M CA -0.701 54.604 55.300 0.009 0.000 1.173 111 M CB 0.365 32.970 32.600 0.009 0.000 1.458 111 M HN 0.202 nan 8.290 nan 0.000 0.458 112 N N 2.717 121.423 118.700 0.010 0.000 2.440 112 N HA 0.041 4.782 4.740 0.001 0.000 0.265 112 N C -2.030 173.488 175.510 0.013 0.000 1.239 112 N CA -1.280 51.778 53.050 0.012 0.000 0.909 112 N CB 0.659 39.153 38.487 0.011 0.000 1.066 112 N HN 0.285 nan 8.380 nan 0.000 0.474 113 P HA -0.144 nan 4.420 nan 0.000 0.218 113 P C 1.291 178.600 177.300 0.015 0.000 1.146 113 P CA 1.119 64.228 63.100 0.015 0.000 0.813 113 P CB 0.182 31.893 31.700 0.018 0.000 0.778 114 M N -0.857 118.751 119.600 0.014 0.000 2.200 114 M HA -0.074 4.407 4.480 0.001 0.000 0.265 114 M C 1.398 177.705 176.300 0.012 0.000 1.066 114 M CA 1.715 57.023 55.300 0.013 0.000 1.127 114 M CB -0.746 31.862 32.600 0.013 0.000 1.379 114 M HN -0.207 nan 8.290 nan 0.000 0.420 115 D N -0.561 119.846 120.400 0.011 0.000 2.234 115 D HA -0.036 4.605 4.640 0.001 0.000 0.205 115 D C 2.009 178.315 176.300 0.010 0.000 0.962 115 D CA 0.927 54.934 54.000 0.010 0.000 0.855 115 D CB 0.040 40.846 40.800 0.009 0.000 0.951 115 D HN 0.361 nan 8.370 nan 0.000 0.500 116 L N 1.100 122.330 121.223 0.011 0.000 2.012 116 L HA -0.196 4.145 4.340 0.001 0.000 0.210 116 L C 2.630 179.507 176.870 0.012 0.000 1.073 116 L CA 1.245 56.092 54.840 0.011 0.000 0.748 116 L CB -0.370 41.696 42.059 0.012 0.000 0.891 116 L HN -0.053 nan 8.230 nan 0.000 0.431 117 K N 0.429 120.837 120.400 0.013 0.000 2.032 117 K HA -0.221 4.100 4.320 0.001 0.000 0.209 117 K C 2.280 178.888 176.600 0.013 0.000 1.048 117 K CA 1.574 57.869 56.287 0.014 0.000 0.927 117 K CB -0.019 32.490 32.500 0.015 0.000 0.712 117 K HN 0.164 nan 8.250 nan 0.000 0.441 118 R N -0.556 119.951 120.500 0.012 0.000 2.127 118 R HA -0.108 4.232 4.340 0.001 0.000 0.238 118 R C 2.401 178.707 176.300 0.010 0.000 1.134 118 R CA 1.364 57.470 56.100 0.011 0.000 0.975 118 R CB -0.411 29.895 30.300 0.010 0.000 0.865 118 R HN 0.395 nan 8.270 nan 0.000 0.447 119 G N 0.719 109.525 108.800 0.010 0.000 2.394 119 G HA2 -0.178 3.783 3.960 0.001 0.000 0.215 119 G HA3 -0.178 3.783 3.960 0.001 0.000 0.215 119 G C 1.415 176.320 174.900 0.009 0.000 1.165 119 G CA 0.393 45.498 45.100 0.009 0.000 0.784 119 G HN 0.139 nan 8.290 nan 0.000 0.535 120 I N 1.173 121.750 120.570 0.010 0.000 2.127 120 I HA -0.166 4.005 4.170 0.001 0.000 0.241 120 I C 2.390 178.513 176.117 0.011 0.000 1.075 120 I CA 1.374 62.681 61.300 0.011 0.000 1.334 120 I CB -0.265 37.743 38.000 0.014 0.000 1.040 120 I HN 0.034 nan 8.210 nan 0.000 0.405 121 D N 0.875 121.283 120.400 0.013 0.000 2.116 121 D HA -0.250 4.391 4.640 0.001 0.000 0.193 121 D C 2.068 178.374 176.300 0.010 0.000 0.998 121 D CA 1.418 55.426 54.000 0.013 0.000 0.836 121 D CB -0.296 40.513 40.800 0.014 0.000 0.951 121 D HN 0.276 nan 8.370 nan 0.000 0.449 122 K N 0.310 120.715 120.400 0.009 0.000 2.057 122 K HA -0.073 4.248 4.320 0.001 0.000 0.207 122 K C 2.011 178.614 176.600 0.005 0.000 1.049 122 K CA 1.267 57.558 56.287 0.007 0.000 0.931 122 K CB -0.058 32.446 32.500 0.007 0.000 0.714 122 K HN 0.061 nan 8.250 nan 0.000 0.440 123 A N 0.551 123.374 122.820 0.005 0.000 1.898 123 A HA -0.090 4.231 4.320 0.001 0.000 0.216 123 A C 2.215 179.800 177.584 0.001 0.000 1.181 123 A CA 1.449 53.488 52.037 0.004 0.000 0.620 123 A CB -0.587 18.416 19.000 0.005 0.000 0.819 123 A HN 0.165 nan 8.150 nan 0.000 0.442 124 V N -0.068 119.847 119.914 0.002 0.000 2.255 124 V HA -0.266 3.855 4.120 0.001 0.000 0.247 124 V C 2.778 178.870 176.094 -0.004 0.000 1.051 124 V CA 2.589 64.888 62.300 -0.003 0.000 1.018 124 V CB -1.366 30.458 31.823 0.001 0.000 0.641 124 V HN 0.622 nan 8.190 nan 0.000 0.445 125 T N 0.501 115.055 114.554 0.001 0.000 2.652 125 T HA -0.234 4.117 4.350 0.001 0.000 0.267 125 T C 2.062 176.763 174.700 0.000 0.000 1.039 125 T CA 1.897 63.998 62.100 0.002 0.000 1.153 125 T CB -0.579 68.292 68.868 0.005 0.000 0.863 125 T HN 0.585 nan 8.240 nan 0.000 0.428 126 A N 1.498 124.319 122.820 0.001 0.000 1.883 126 A HA 0.100 4.420 4.320 0.001 0.000 0.217 126 A C 2.667 180.250 177.584 -0.001 0.000 1.186 126 A CA 2.054 54.092 52.037 0.001 0.000 0.624 126 A CB -1.212 17.789 19.000 0.002 0.000 0.822 126 A HN 0.532 nan 8.150 nan 0.000 0.444 127 A N -0.741 122.077 122.820 -0.003 0.000 1.902 127 A HA 0.021 4.342 4.320 0.001 0.000 0.217 127 A C 2.235 179.813 177.584 -0.009 0.000 1.181 127 A CA 1.742 53.776 52.037 -0.005 0.000 0.623 127 A CB -0.917 18.079 19.000 -0.007 0.000 0.818 127 A HN 0.393 nan 8.150 nan 0.000 0.443 128 V N 0.281 120.187 119.914 -0.013 0.000 2.343 128 V HA -0.194 3.927 4.120 0.001 0.000 0.247 128 V C 2.501 178.590 176.094 -0.009 0.000 1.051 128 V CA 2.100 64.390 62.300 -0.016 0.000 1.036 128 V CB -0.641 31.170 31.823 -0.020 0.000 0.654 128 V HN 0.502 nan 8.190 nan 0.000 0.451 129 E N -0.431 119.766 120.200 -0.004 0.000 2.208 129 E HA -0.132 4.219 4.350 0.001 0.000 0.193 129 E C 2.266 178.866 176.600 -0.000 0.000 0.988 129 E CA 0.539 56.938 56.400 -0.001 0.000 0.828 129 E CB -0.139 29.562 29.700 0.001 0.000 0.763 129 E HN 0.594 nan 8.360 nan 0.000 0.478 130 E N 0.618 120.818 120.200 -0.000 0.000 2.072 130 E HA -0.083 4.268 4.350 0.001 0.000 0.191 130 E C 2.331 178.931 176.600 0.000 0.000 0.985 130 E CA 0.407 56.807 56.400 0.001 0.000 0.801 130 E CB -0.142 29.560 29.700 0.002 0.000 0.750 130 E HN 0.292 nan 8.360 nan 0.000 0.452 131 L N 0.628 121.849 121.223 -0.003 0.000 2.131 131 L HA -0.175 4.166 4.340 0.001 0.000 0.210 131 L C 2.263 179.131 176.870 -0.003 0.000 1.092 131 L CA 0.934 55.771 54.840 -0.005 0.000 0.759 131 L CB -0.237 41.815 42.059 -0.012 0.000 0.903 131 L HN -0.026 nan 8.230 nan 0.000 0.435 132 K N 0.127 120.525 120.400 -0.003 0.000 2.209 132 K HA -0.111 4.210 4.320 0.001 0.000 0.204 132 K C 1.994 178.595 176.600 0.002 0.000 1.048 132 K CA 1.316 57.603 56.287 0.000 0.000 0.940 132 K CB -0.253 32.247 32.500 0.001 0.000 0.729 132 K HN 0.312 nan 8.250 nan 0.000 0.451 133 A N -0.678 122.143 122.820 0.003 0.000 1.997 133 A HA 0.084 4.405 4.320 0.001 0.000 0.212 133 A C 1.732 179.319 177.584 0.005 0.000 1.178 133 A CA 0.512 52.552 52.037 0.004 0.000 0.698 133 A CB -0.070 18.933 19.000 0.005 0.000 0.842 133 A HN 0.126 nan 8.150 nan 0.000 0.458 134 L N -0.236 120.990 121.223 0.005 0.000 2.270 134 L HA 0.133 4.473 4.340 0.001 0.000 0.210 134 L C 1.449 178.322 176.870 0.006 0.000 1.104 134 L CA 0.740 55.584 54.840 0.007 0.000 0.804 134 L CB -0.264 41.799 42.059 0.007 0.000 0.937 134 L HN 0.237 nan 8.230 nan 0.000 0.450 135 S N -0.463 115.239 115.700 0.003 0.000 2.515 135 S HA 0.034 4.504 4.470 0.001 0.000 0.285 135 S C 1.535 176.137 174.600 0.004 0.000 1.265 135 S CA -0.019 58.182 58.200 0.002 0.000 1.079 135 S CB 0.738 63.938 63.200 0.000 0.000 0.877 135 S HN 0.222 nan 8.310 nan 0.000 0.493 136 V N 4.806 124.722 119.914 0.004 0.000 3.078 136 V HA 0.053 4.174 4.120 0.001 0.000 0.265 136 V C -0.543 175.554 176.094 0.005 0.000 1.122 136 V CA 0.547 62.850 62.300 0.005 0.000 1.141 136 V CB -2.055 29.772 31.823 0.006 0.000 0.735 136 V HN 0.687 nan 8.190 nan 0.000 0.498 137 P HA 0.049 nan 4.420 nan 0.000 0.213 137 P C 0.619 177.920 177.300 0.002 0.000 1.170 137 P CA 1.436 64.538 63.100 0.003 0.000 0.893 137 P CB -0.034 31.668 31.700 0.003 0.000 0.784 138 C N -4.912 114.389 119.300 0.002 0.000 3.045 138 C HA 0.492 4.953 4.460 0.001 0.000 0.338 138 C C 0.466 175.456 174.990 0.000 0.000 1.267 138 C CA 0.392 59.410 59.018 0.000 0.000 1.177 138 C CB 0.712 28.451 27.740 -0.001 0.000 1.380 138 C HN 0.193 nan 8.230 nan 0.000 0.469 139 S N 0.156 115.856 115.700 -0.001 0.000 2.126 139 S HA 0.133 4.604 4.470 0.001 0.000 0.242 139 S C -0.641 173.958 174.600 -0.003 0.000 0.898 139 S CA 0.637 58.836 58.200 -0.001 0.000 1.395 139 S CB -0.296 62.904 63.200 -0.000 0.000 0.966 139 S HN 1.000 nan 8.310 nan 0.000 0.435 140 D N 1.632 122.030 120.400 -0.003 0.000 2.341 140 D HA 0.279 4.920 4.640 0.001 0.000 0.245 140 D C 0.534 176.831 176.300 -0.005 0.000 1.106 140 D CA -0.026 53.972 54.000 -0.003 0.000 0.905 140 D CB 1.384 42.182 40.800 -0.002 0.000 1.202 140 D HN 0.094 nan 8.370 nan 0.000 0.426 141 S N 1.117 116.814 115.700 -0.006 0.000 2.447 141 S HA -0.161 4.310 4.470 0.001 0.000 0.233 141 S C 1.661 176.257 174.600 -0.007 0.000 1.006 141 S CA 0.670 58.866 58.200 -0.007 0.000 0.957 141 S CB -0.164 63.032 63.200 -0.007 0.000 0.773 141 S HN 0.641 nan 8.310 nan 0.000 0.507 142 K N 2.000 122.396 120.400 -0.007 0.000 2.009 142 K HA -0.126 4.195 4.320 0.001 0.000 0.210 142 K C 2.243 178.839 176.600 -0.008 0.000 1.049 142 K CA 1.405 57.688 56.287 -0.007 0.000 0.929 142 K CB -0.439 32.057 32.500 -0.007 0.000 0.714 142 K HN 0.290 nan 8.250 nan 0.000 0.440 143 A N 1.642 124.458 122.820 -0.006 0.000 1.902 143 A HA -0.140 4.180 4.320 0.001 0.000 0.217 143 A C 2.084 179.664 177.584 -0.007 0.000 1.181 143 A CA 1.468 53.502 52.037 -0.006 0.000 0.623 143 A CB -0.526 18.471 19.000 -0.004 0.000 0.818 143 A HN 0.347 nan 8.150 nan 0.000 0.443 144 I N 0.157 120.723 120.570 -0.008 0.000 2.163 144 I HA -0.281 3.890 4.170 0.001 0.000 0.243 144 I C 2.961 179.073 176.117 -0.009 0.000 1.085 144 I CA 1.575 62.870 61.300 -0.009 0.000 1.347 144 I CB -1.756 36.238 38.000 -0.011 0.000 1.044 144 I HN 0.369 nan 8.210 nan 0.000 0.408 145 A N 0.003 122.817 122.820 -0.009 0.000 1.908 145 A HA -0.273 4.048 4.320 0.001 0.000 0.218 145 A C 2.281 179.860 177.584 -0.009 0.000 1.181 145 A CA 1.794 53.825 52.037 -0.009 0.000 0.627 145 A CB -0.669 18.325 19.000 -0.010 0.000 0.818 145 A HN 0.397 nan 8.150 nan 0.000 0.445 146 Q N -0.476 119.319 119.800 -0.010 0.000 2.014 146 Q HA -0.141 4.200 4.340 0.001 0.000 0.207 146 Q C 2.131 178.126 176.000 -0.008 0.000 0.993 146 Q CA 2.206 58.003 55.803 -0.010 0.000 0.850 146 Q CB -0.592 28.139 28.738 -0.011 0.000 0.916 146 Q HN 0.415 nan 8.270 nan 0.000 0.417 147 V N -0.201 119.709 119.914 -0.007 0.000 2.407 147 V HA -0.229 3.892 4.120 0.001 0.000 0.248 147 V C 2.069 178.161 176.094 -0.003 0.000 1.055 147 V CA 1.875 64.173 62.300 -0.004 0.000 1.049 147 V CB -1.261 30.560 31.823 -0.003 0.000 0.662 147 V HN 0.587 nan 8.190 nan 0.000 0.455 148 G N 0.421 109.218 108.800 -0.005 0.000 2.418 148 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 148 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 148 G C 1.804 176.702 174.900 -0.003 0.000 1.158 148 G CA 1.691 46.788 45.100 -0.004 0.000 0.771 148 G HN 0.576 nan 8.290 nan 0.000 0.545 149 T N -0.216 114.335 114.554 -0.005 0.000 2.821 149 T HA -0.001 4.349 4.350 0.001 0.000 0.267 149 T C 2.372 177.069 174.700 -0.005 0.000 1.046 149 T CA 1.107 63.203 62.100 -0.006 0.000 1.139 149 T CB -0.257 68.605 68.868 -0.010 0.000 0.871 149 T HN 0.242 nan 8.240 nan 0.000 0.454 150 I N 1.435 122.002 120.570 -0.005 0.000 2.090 150 I HA -0.153 4.018 4.170 0.001 0.000 0.236 150 I C 3.018 179.136 176.117 0.001 0.000 1.064 150 I CA 1.662 62.960 61.300 -0.003 0.000 1.324 150 I CB -0.528 37.470 38.000 -0.004 0.000 1.044 150 I HN 0.307 nan 8.210 nan 0.000 0.399 151 S N 0.132 115.835 115.700 0.005 0.000 2.515 151 S HA 0.033 4.504 4.470 0.001 0.000 0.231 151 S C 1.803 176.410 174.600 0.012 0.000 0.987 151 S CA 0.902 59.109 58.200 0.011 0.000 0.936 151 S CB -0.170 63.040 63.200 0.017 0.000 0.766 151 S HN 0.439 nan 8.310 nan 0.000 0.528 152 A N 1.123 123.947 122.820 0.008 0.000 2.251 152 A HA 0.296 4.617 4.320 0.001 0.000 0.209 152 A C 0.990 178.577 177.584 0.004 0.000 1.187 152 A CA 0.416 52.458 52.037 0.007 0.000 0.823 152 A CB -0.431 18.571 19.000 0.004 0.000 0.846 152 A HN 0.706 nan 8.150 nan 0.000 0.486 153 N N -1.626 117.076 118.700 0.003 0.000 2.990 153 N HA -0.197 4.544 4.740 0.001 0.000 0.247 153 N C -0.019 175.489 175.510 -0.003 0.000 1.096 153 N CA 0.784 53.834 53.050 0.001 0.000 0.797 153 N CB -1.187 37.302 38.487 0.003 0.000 1.114 153 N HN 0.402 nan 8.380 nan 0.000 0.549 154 S N -1.092 114.604 115.700 -0.005 0.000 2.185 154 S HA -0.118 4.353 4.470 0.001 0.000 0.255 154 S C -0.607 173.988 174.600 -0.008 0.000 1.434 154 S CA 0.376 58.571 58.200 -0.009 0.000 1.085 154 S CB -0.812 62.382 63.200 -0.012 0.000 1.388 154 S HN 0.547 nan 8.310 nan 0.000 0.688 155 D N 2.144 122.540 120.400 -0.006 0.000 2.359 155 D HA 0.194 4.834 4.640 0.001 0.000 0.250 155 D C 1.033 177.330 176.300 -0.006 0.000 1.264 155 D CA 0.196 54.193 54.000 -0.005 0.000 0.911 155 D CB 0.479 41.277 40.800 -0.002 0.000 1.056 155 D HN 0.485 nan 8.370 nan 0.000 0.499 156 E N 1.128 121.323 120.200 -0.008 0.000 2.265 156 E HA -0.159 4.191 4.350 0.001 0.000 0.196 156 E C 1.883 178.479 176.600 -0.008 0.000 0.996 156 E CA 1.142 57.536 56.400 -0.009 0.000 0.832 156 E CB 0.258 29.952 29.700 -0.011 0.000 0.756 156 E HN 0.617 nan 8.360 nan 0.000 0.491 157 T N -1.596 112.954 114.554 -0.006 0.000 2.770 157 T HA -0.090 4.260 4.350 0.001 0.000 0.263 157 T C 2.096 176.793 174.700 -0.005 0.000 1.039 157 T CA 0.949 63.045 62.100 -0.006 0.000 1.142 157 T CB -0.496 68.369 68.868 -0.005 0.000 0.868 157 T HN -0.027 nan 8.240 nan 0.000 0.435 158 V N 2.014 121.926 119.914 -0.004 0.000 2.407 158 V HA 0.028 4.149 4.120 0.001 0.000 0.248 158 V C 3.115 179.205 176.094 -0.006 0.000 1.055 158 V CA 1.753 64.051 62.300 -0.004 0.000 1.049 158 V CB -1.539 30.283 31.823 -0.001 0.000 0.662 158 V HN 0.704 nan 8.190 nan 0.000 0.455 159 G N -0.283 108.513 108.800 -0.006 0.000 2.421 159 G HA2 -0.321 3.639 3.960 0.001 0.000 0.216 159 G HA3 -0.321 3.639 3.960 0.001 0.000 0.216 159 G C 1.635 176.530 174.900 -0.009 0.000 1.171 159 G CA 1.143 46.238 45.100 -0.008 0.000 0.775 159 G HN 0.488 nan 8.290 nan 0.000 0.543 160 K N -0.457 119.938 120.400 -0.009 0.000 2.032 160 K HA -0.083 4.237 4.320 0.001 0.000 0.209 160 K C 2.492 179.087 176.600 -0.009 0.000 1.048 160 K CA 1.074 57.356 56.287 -0.009 0.000 0.927 160 K CB -0.239 32.256 32.500 -0.008 0.000 0.712 160 K HN 0.181 nan 8.250 nan 0.000 0.441 161 L N 1.433 122.651 121.223 -0.009 0.000 1.994 161 L HA -0.163 4.178 4.340 0.001 0.000 0.208 161 L C 2.290 179.152 176.870 -0.013 0.000 1.071 161 L CA 1.591 56.425 54.840 -0.010 0.000 0.745 161 L CB -0.687 41.367 42.059 -0.008 0.000 0.892 161 L HN 0.264 nan 8.230 nan 0.000 0.431 162 I N -0.948 119.614 120.570 -0.013 0.000 2.226 162 I HA -0.303 3.868 4.170 0.001 0.000 0.245 162 I C 2.567 178.673 176.117 -0.017 0.000 1.100 162 I CA 1.156 62.445 61.300 -0.018 0.000 1.374 162 I CB -0.514 37.476 38.000 -0.017 0.000 1.057 162 I HN 0.228 nan 8.210 nan 0.000 0.413 163 A N 0.427 123.239 122.820 -0.014 0.000 1.877 163 A HA -0.230 4.091 4.320 0.001 0.000 0.216 163 A C 2.251 179.827 177.584 -0.013 0.000 1.186 163 A CA 1.679 53.708 52.037 -0.013 0.000 0.620 163 A CB -0.614 18.379 19.000 -0.011 0.000 0.822 163 A HN 0.414 nan 8.150 nan 0.000 0.443 164 E N -0.418 119.775 120.200 -0.012 0.000 2.110 164 E HA -0.146 4.205 4.350 0.001 0.000 0.193 164 E C 2.347 178.939 176.600 -0.013 0.000 0.988 164 E CA 0.911 57.305 56.400 -0.011 0.000 0.804 164 E CB -0.270 29.424 29.700 -0.010 0.000 0.745 164 E HN 0.618 nan 8.360 nan 0.000 0.458 165 A N 1.126 123.937 122.820 -0.015 0.000 1.877 165 A HA -0.197 4.124 4.320 0.001 0.000 0.216 165 A C 2.158 179.731 177.584 -0.019 0.000 1.186 165 A CA 1.478 53.504 52.037 -0.018 0.000 0.620 165 A CB -0.457 18.530 19.000 -0.022 0.000 0.822 165 A HN 0.144 nan 8.150 nan 0.000 0.443 166 M N -0.908 118.680 119.600 -0.020 0.000 2.229 166 M HA -0.126 4.354 4.480 0.001 0.000 0.264 166 M C 1.879 178.170 176.300 -0.015 0.000 1.063 166 M CA 1.609 56.898 55.300 -0.019 0.000 1.114 166 M CB -0.396 32.192 32.600 -0.020 0.000 1.387 166 M HN 0.499 nan 8.290 nan 0.000 0.420 167 D N 0.532 120.924 120.400 -0.013 0.000 2.183 167 D HA -0.126 4.515 4.640 0.001 0.000 0.203 167 D C 1.707 178.001 176.300 -0.010 0.000 0.969 167 D CA 1.118 55.112 54.000 -0.010 0.000 0.842 167 D CB 0.268 41.062 40.800 -0.009 0.000 0.957 167 D HN 0.362 nan 8.370 nan 0.000 0.484 168 K N -0.056 120.337 120.400 -0.011 0.000 2.067 168 K HA -0.004 4.317 4.320 0.001 0.000 0.203 168 K C 1.951 178.544 176.600 -0.011 0.000 1.048 168 K CA 0.281 56.562 56.287 -0.010 0.000 0.954 168 K CB 0.246 32.740 32.500 -0.010 0.000 0.737 168 K HN -0.063 nan 8.250 nan 0.000 0.444 169 V N 0.390 120.296 119.914 -0.013 0.000 3.235 169 V HA 0.136 4.257 4.120 0.001 0.000 0.259 169 V C 0.228 176.315 176.094 -0.012 0.000 1.133 169 V CA 1.031 63.323 62.300 -0.013 0.000 1.128 169 V CB -0.068 31.745 31.823 -0.017 0.000 0.757 169 V HN 0.590 nan 8.190 nan 0.000 0.469 170 G N 0.059 108.852 108.800 -0.012 0.000 2.712 170 G HA2 -0.173 3.788 3.960 0.001 0.000 0.686 170 G HA3 -0.173 3.788 3.960 0.001 0.000 0.686 170 G C 0.026 174.918 174.900 -0.013 0.000 1.181 170 G CA 0.017 45.111 45.100 -0.011 0.000 0.762 170 G HN 0.282 nan 8.290 nan 0.000 0.641 171 K N -0.019 120.375 120.400 -0.012 0.000 2.362 171 K HA -0.037 4.284 4.320 0.001 0.000 0.200 171 K C 1.833 178.424 176.600 -0.015 0.000 1.046 171 K CA 1.546 57.825 56.287 -0.013 0.000 0.952 171 K CB 0.186 32.681 32.500 -0.010 0.000 0.753 171 K HN 0.417 nan 8.250 nan 0.000 0.466 172 E N 0.524 120.717 120.200 -0.013 0.000 2.481 172 E HA 0.074 4.425 4.350 0.001 0.000 0.198 172 E C 0.392 176.982 176.600 -0.016 0.000 1.027 172 E CA -0.155 56.237 56.400 -0.013 0.000 0.900 172 E CB 0.358 30.053 29.700 -0.008 0.000 0.993 172 E HN 0.238 nan 8.360 nan 0.000 0.482 173 G N -0.127 108.662 108.800 -0.018 0.000 2.616 173 G HA2 0.336 4.297 3.960 0.001 0.000 0.268 173 G HA3 0.336 4.297 3.960 0.001 0.000 0.268 173 G C -0.425 174.458 174.900 -0.028 0.000 1.213 173 G CA -0.502 44.587 45.100 -0.019 0.000 0.926 173 G HN 0.039 nan 8.290 nan 0.000 0.523 174 V N 0.386 120.283 119.914 -0.028 0.000 2.498 174 V HA 0.387 4.508 4.120 0.001 0.000 0.279 174 V C -0.083 175.985 176.094 -0.043 0.000 1.048 174 V CA -0.072 62.205 62.300 -0.039 0.000 0.967 174 V CB 0.763 32.566 31.823 -0.034 0.000 0.988 174 V HN 0.453 nan 8.190 nan 0.000 0.473 175 I N 3.971 124.505 120.570 -0.060 0.000 2.647 175 I HA 0.716 4.887 4.170 0.001 0.000 0.295 175 I C 0.215 176.293 176.117 -0.066 0.000 1.078 175 I CA -0.081 61.184 61.300 -0.057 0.000 1.048 175 I CB 2.437 40.401 38.000 -0.059 0.000 1.239 175 I HN 0.810 nan 8.210 nan 0.000 0.421 176 T N 1.462 115.990 114.554 -0.043 0.000 2.804 176 T HA 0.906 5.257 4.350 0.001 0.000 0.290 176 T C -0.923 173.769 174.700 -0.013 0.000 1.099 176 T CA -0.820 61.264 62.100 -0.027 0.000 1.011 176 T CB 1.690 70.548 68.868 -0.018 0.000 1.291 176 T HN 0.279 nan 8.240 nan 0.000 0.523 177 V N 0.503 120.419 119.914 0.003 0.000 2.656 177 V HA 0.665 4.786 4.120 0.001 0.000 0.307 177 V C -0.512 175.587 176.094 0.008 0.000 1.051 177 V CA -0.835 61.470 62.300 0.008 0.000 0.893 177 V CB 1.569 33.405 31.823 0.021 0.000 0.999 177 V HN 1.010 nan 8.190 nan 0.000 0.426 178 E N 1.328 121.530 120.200 0.004 0.000 2.336 178 E HA 0.481 4.832 4.350 0.001 0.000 0.267 178 E C -1.406 175.195 176.600 0.002 0.000 0.906 178 E CA -0.853 55.548 56.400 0.002 0.000 0.781 178 E CB 2.429 32.128 29.700 -0.003 0.000 1.261 178 E HN 0.776 nan 8.360 nan 0.000 0.436 179 D N -0.127 120.274 120.400 0.002 0.000 2.398 179 D HA 0.303 4.943 4.640 0.001 0.000 0.247 179 D C 0.018 176.318 176.300 -0.000 0.000 1.227 179 D CA -0.009 53.992 54.000 0.002 0.000 0.980 179 D CB 0.538 41.339 40.800 0.002 0.000 1.106 179 D HN 0.395 nan 8.370 nan 0.000 0.493 180 G N -1.351 107.449 108.800 -0.000 0.000 2.372 180 G HA2 0.328 4.289 3.960 0.001 0.000 0.283 180 G HA3 0.328 4.289 3.960 0.001 0.000 0.283 180 G C 0.972 175.870 174.900 -0.002 0.000 1.177 180 G CA -0.430 44.670 45.100 -0.001 0.000 0.842 180 G HN 0.506 nan 8.290 nan 0.000 0.503 181 T N -0.192 114.360 114.554 -0.003 0.000 2.978 181 T HA 0.402 4.753 4.350 0.001 0.000 0.262 181 T C 1.267 175.965 174.700 -0.003 0.000 1.063 181 T CA 1.047 63.145 62.100 -0.004 0.000 1.140 181 T CB 0.162 69.027 68.868 -0.004 0.000 0.886 181 T HN 1.174 nan 8.240 nan 0.000 0.470 182 G N 0.493 109.291 108.800 -0.003 0.000 2.529 182 G HA2 0.408 4.368 3.960 0.001 0.000 0.238 182 G HA3 0.408 4.368 3.960 0.001 0.000 0.238 182 G C -0.112 174.787 174.900 -0.002 0.000 1.207 182 G CA -0.151 44.947 45.100 -0.002 0.000 0.928 182 G HN 0.173 nan 8.290 nan 0.000 0.495 183 L N 0.152 121.374 121.223 -0.002 0.000 2.141 183 L HA 0.286 4.627 4.340 0.001 0.000 0.209 183 L C 1.142 178.011 176.870 -0.003 0.000 1.094 183 L CA 1.540 56.379 54.840 -0.002 0.000 0.763 183 L CB -0.394 41.664 42.059 -0.002 0.000 0.908 183 L HN 0.384 nan 8.230 nan 0.000 0.437 184 Q N 1.032 120.830 119.800 -0.003 0.000 2.293 184 Q HA 0.153 4.494 4.340 0.001 0.000 0.251 184 Q C -0.757 175.241 176.000 -0.004 0.000 0.930 184 Q CA -0.130 55.671 55.803 -0.003 0.000 0.893 184 Q CB 1.091 29.827 28.738 -0.004 0.000 1.215 184 Q HN 0.379 nan 8.270 nan 0.000 0.425 185 D N 1.258 121.656 120.400 -0.004 0.000 2.313 185 D HA 0.279 4.919 4.640 0.001 0.000 0.247 185 D C -0.317 175.980 176.300 -0.005 0.000 1.094 185 D CA -0.060 53.937 54.000 -0.004 0.000 0.925 185 D CB 1.051 41.848 40.800 -0.004 0.000 1.188 185 D HN 0.249 nan 8.370 nan 0.000 0.430 186 E N 0.285 120.482 120.200 -0.005 0.000 2.416 186 E HA 0.644 4.994 4.350 0.001 0.000 0.273 186 E C -1.233 175.362 176.600 -0.007 0.000 0.935 186 E CA -0.998 55.399 56.400 -0.006 0.000 0.784 186 E CB 2.528 32.224 29.700 -0.006 0.000 1.301 186 E HN 0.212 nan 8.360 nan 0.000 0.454 187 L N 1.807 123.025 121.223 -0.008 0.000 2.580 187 L HA 0.399 4.739 4.340 0.001 0.000 0.266 187 L C -1.923 174.941 176.870 -0.010 0.000 0.955 187 L CA -0.414 54.421 54.840 -0.009 0.000 0.886 187 L CB 1.653 43.707 42.059 -0.010 0.000 1.263 187 L HN 0.568 nan 8.230 nan 0.000 0.406 188 D N 2.816 123.209 120.400 -0.011 0.000 2.198 188 D HA 0.576 5.217 4.640 0.001 0.000 0.247 188 D C -0.737 175.556 176.300 -0.012 0.000 1.010 188 D CA -0.127 53.866 54.000 -0.011 0.000 0.880 188 D CB 2.513 43.306 40.800 -0.011 0.000 1.209 188 D HN 0.261 nan 8.370 nan 0.000 0.451 189 V N -0.213 119.695 119.914 -0.011 0.000 2.495 189 V HA 0.899 5.020 4.120 0.001 0.000 0.298 189 V C -0.460 175.628 176.094 -0.011 0.000 1.031 189 V CA -0.562 61.731 62.300 -0.012 0.000 0.871 189 V CB 1.361 33.177 31.823 -0.011 0.000 0.988 189 V HN 0.411 nan 8.190 nan 0.000 0.432 190 V N 1.999 121.907 119.914 -0.011 0.000 3.301 190 V HA 0.465 4.585 4.120 0.001 0.000 0.291 190 V C -0.738 175.351 176.094 -0.008 0.000 1.549 190 V CA -0.605 61.690 62.300 -0.010 0.000 1.061 190 V CB 2.331 34.147 31.823 -0.011 0.000 1.154 190 V HN 1.119 nan 8.190 nan 0.000 0.466 191 E N 1.240 121.436 120.200 -0.007 0.000 2.485 191 E HA 0.460 4.810 4.350 0.001 0.000 0.266 191 E C 0.260 176.858 176.600 -0.003 0.000 1.090 191 E CA 1.029 57.426 56.400 -0.004 0.000 0.987 191 E CB 0.338 30.036 29.700 -0.003 0.000 0.974 191 E HN 1.416 nan 8.360 nan 0.000 0.455 192 G N -0.390 108.411 108.800 0.002 0.000 2.327 192 G HA2 0.368 4.329 3.960 0.001 0.000 0.291 192 G HA3 0.368 4.329 3.960 0.001 0.000 0.291 192 G C -1.477 173.433 174.900 0.018 0.000 1.290 192 G CA -0.434 44.669 45.100 0.005 0.000 0.857 192 G HN 0.444 nan 8.290 nan 0.000 0.520 193 M N 0.603 120.216 119.600 0.021 0.000 2.307 193 M HA 0.485 4.965 4.480 0.001 0.000 0.279 193 M C -1.697 174.612 176.300 0.015 0.000 1.080 193 M CA -0.713 54.618 55.300 0.052 0.000 0.964 193 M CB 2.134 34.800 32.600 0.110 0.000 1.825 193 M HN 0.756 nan 8.290 nan 0.000 0.489 194 Q N 4.563 124.370 119.800 0.012 0.000 2.257 194 Q HA 0.724 5.065 4.340 0.001 0.000 0.262 194 Q C -2.094 173.941 176.000 0.060 0.000 0.997 194 Q CA -0.233 55.523 55.803 -0.080 0.000 0.873 194 Q CB 1.961 30.667 28.738 -0.053 0.000 1.312 194 Q HN 0.677 nan 8.270 nan 0.000 0.450 195 F N -0.876 119.085 119.950 0.019 0.000 2.641 195 F HA 0.370 4.898 4.527 0.001 0.000 0.308 195 F C -0.900 174.913 175.800 0.023 0.000 1.105 195 F CA -1.219 56.792 58.000 0.020 0.000 0.964 195 F CB 0.828 39.842 39.000 0.023 0.000 1.294 195 F HN 0.381 nan 8.300 nan 0.000 0.442 196 D N 1.702 122.244 120.400 0.238 0.000 2.982 196 D HA 0.259 4.900 4.640 0.001 0.000 0.238 196 D C -0.547 175.854 176.300 0.168 0.000 1.168 196 D CA 0.282 54.365 54.000 0.138 0.000 0.947 196 D CB -0.075 40.783 40.800 0.097 0.000 1.147 196 D HN 0.305 nan 8.370 nan 0.000 0.450 197 R N -0.075 120.581 120.500 0.260 0.000 2.599 197 R HA 0.659 5.000 4.340 0.001 0.000 0.295 197 R C 0.559 176.920 176.300 0.102 0.000 0.963 197 R CA -0.639 55.579 56.100 0.198 0.000 0.883 197 R CB 1.905 32.376 30.300 0.285 0.000 1.171 197 R HN 0.156 nan 8.270 nan 0.000 0.450 198 G N 0.912 109.709 108.800 -0.005 0.000 2.531 198 G HA2 0.269 4.230 3.960 0.001 0.000 0.281 198 G HA3 0.269 4.230 3.960 0.001 0.000 0.281 198 G C -0.843 174.041 174.900 -0.026 0.000 1.382 198 G CA -0.502 44.526 45.100 -0.120 0.000 1.045 198 G HN 0.553 nan 8.290 nan 0.000 0.533 199 Y N -1.403 118.963 120.300 0.109 0.000 2.457 199 Y HA 0.377 4.928 4.550 0.001 0.000 0.341 199 Y C 1.079 177.081 175.900 0.171 0.000 1.240 199 Y CA -1.031 57.180 58.100 0.185 0.000 1.437 199 Y CB 0.481 39.083 38.460 0.235 0.000 1.328 199 Y HN 0.158 nan 8.280 nan 0.000 0.588 200 L N 1.616 123.136 121.223 0.495 0.000 2.591 200 L HA 0.175 4.515 4.340 0.001 0.000 0.228 200 L C 0.529 177.516 176.870 0.194 0.000 1.133 200 L CA 0.576 55.619 54.840 0.338 0.000 0.880 200 L CB -0.052 42.197 42.059 0.316 0.000 1.033 200 L HN 0.768 nan 8.230 nan 0.000 0.450 201 S N -1.681 114.023 115.700 0.006 0.000 2.543 201 S HA 0.353 4.824 4.470 0.001 0.000 0.273 201 S C -2.264 171.915 174.600 -0.701 0.000 1.152 201 S CA -0.863 57.045 58.200 -0.487 0.000 0.910 201 S CB 1.697 64.232 63.200 -1.109 0.000 1.105 201 S HN -0.252 nan 8.310 nan 0.000 0.465 202 P HA 0.018 nan 4.420 nan 0.000 0.222 202 P C 0.473 177.395 177.300 -0.631 0.000 1.147 202 P CA 0.911 63.587 63.100 -0.708 0.000 0.790 202 P CB -0.090 31.320 31.700 -0.483 0.000 0.780 203 Y N -2.281 117.724 120.300 -0.492 0.000 2.680 203 Y HA -0.061 4.490 4.550 0.001 0.000 0.303 203 Y C 1.518 177.321 175.900 -0.163 0.000 1.166 203 Y CA 0.453 58.366 58.100 -0.311 0.000 1.344 203 Y CB -0.927 37.373 38.460 -0.268 0.000 1.002 203 Y HN -0.076 nan 8.280 nan 0.000 0.537 204 F N -0.482 119.424 119.950 -0.074 0.000 2.710 204 F HA 0.073 4.601 4.527 0.001 0.000 0.298 204 F C 0.931 176.653 175.800 -0.130 0.000 1.137 204 F CA -0.707 57.240 58.000 -0.088 0.000 1.444 204 F CB -0.913 38.029 39.000 -0.096 0.000 1.111 204 F HN -0.133 nan 8.300 nan 0.000 0.580 205 I N 2.860 123.389 120.570 -0.068 0.000 2.587 205 I HA -0.084 4.087 4.170 0.001 0.000 0.284 205 I C 1.013 177.107 176.117 -0.038 0.000 1.134 205 I CA 0.131 61.372 61.300 -0.098 0.000 1.410 205 I CB 0.375 38.255 38.000 -0.199 0.000 1.392 205 I HN 0.126 nan 8.210 nan 0.000 0.545 206 N N 5.408 124.101 118.700 -0.013 0.000 2.197 206 N HA 0.011 4.751 4.740 0.001 0.000 0.201 206 N C 0.053 175.557 175.510 -0.010 0.000 1.148 206 N CA 0.021 53.068 53.050 -0.006 0.000 0.883 206 N CB 0.462 38.954 38.487 0.008 0.000 1.012 206 N HN 0.274 nan 8.380 nan 0.000 0.507 207 K N 2.073 122.467 120.400 -0.011 0.000 2.459 207 K HA 0.299 4.620 4.320 0.001 0.000 0.218 207 K C -1.882 174.706 176.600 -0.021 0.000 1.067 207 K CA -1.675 54.606 56.287 -0.009 0.000 1.045 207 K CB 2.030 34.533 32.500 0.005 0.000 1.623 207 K HN 0.107 nan 8.250 nan 0.000 0.509 208 P HA -0.097 nan 4.420 nan 0.000 0.222 208 P C 0.234 177.515 177.300 -0.032 0.000 1.153 208 P CA 0.859 63.932 63.100 -0.045 0.000 0.798 208 P CB 0.448 32.114 31.700 -0.057 0.000 0.796 209 E N -0.264 119.924 120.200 -0.020 0.000 2.405 209 E HA 0.027 4.377 4.350 0.001 0.000 0.194 209 E C 0.652 177.247 176.600 -0.009 0.000 1.149 209 E CA 0.579 56.971 56.400 -0.012 0.000 0.933 209 E CB -0.625 29.072 29.700 -0.006 0.000 1.028 209 E HN 0.303 nan 8.360 nan 0.000 0.487 210 T N -1.936 112.609 114.554 -0.014 0.000 3.739 210 T HA 0.239 4.589 4.350 0.001 0.000 0.306 210 T C 0.901 175.585 174.700 -0.027 0.000 0.912 210 T CA 0.115 62.205 62.100 -0.018 0.000 1.117 210 T CB 0.590 69.454 68.868 -0.006 0.000 1.129 210 T HN 0.213 nan 8.240 nan 0.000 0.514 211 G N 1.914 110.706 108.800 -0.014 0.000 2.207 211 G HA2 0.279 4.240 3.960 0.001 0.000 0.216 211 G HA3 0.279 4.240 3.960 0.001 0.000 0.216 211 G C -0.117 174.828 174.900 0.076 0.000 1.053 211 G CA 0.095 45.203 45.100 0.014 0.000 0.764 211 G HN 1.036 nan 8.290 nan 0.000 0.495 212 A N -0.999 121.848 122.820 0.044 0.000 2.423 212 A HA 0.955 5.276 4.320 0.001 0.000 0.304 212 A C -0.259 177.355 177.584 0.050 0.000 1.104 212 A CA -0.469 51.618 52.037 0.084 0.000 0.757 212 A CB 2.221 21.254 19.000 0.055 0.000 1.313 212 A HN 1.294 nan 8.150 nan 0.000 0.423 213 V N 1.245 121.212 119.914 0.089 0.000 2.435 213 V HA 0.491 4.611 4.120 0.001 0.000 0.290 213 V C -0.304 175.821 176.094 0.052 0.000 1.030 213 V CA -0.389 61.950 62.300 0.066 0.000 0.881 213 V CB 1.303 33.191 31.823 0.109 0.000 0.983 213 V HN 0.913 nan 8.190 nan 0.000 0.445 214 E N 4.889 125.106 120.200 0.029 0.000 2.256 214 E HA 0.679 5.030 4.350 0.001 0.000 0.268 214 E C -1.536 175.066 176.600 0.004 0.000 0.877 214 E CA -0.638 55.772 56.400 0.016 0.000 0.757 214 E CB 2.799 32.508 29.700 0.014 0.000 1.183 214 E HN 0.479 nan 8.360 nan 0.000 0.418 215 L N 2.252 123.472 121.223 -0.005 0.000 2.408 215 L HA 0.401 4.742 4.340 0.001 0.000 0.268 215 L C -0.461 176.400 176.870 -0.015 0.000 0.986 215 L CA -1.005 53.827 54.840 -0.013 0.000 0.820 215 L CB 2.040 44.084 42.059 -0.025 0.000 1.303 215 L HN 0.347 nan 8.230 nan 0.000 0.411 216 E N 1.448 121.639 120.200 -0.016 0.000 2.197 216 E HA 0.229 4.580 4.350 0.001 0.000 0.281 216 E C 0.560 177.141 176.600 -0.032 0.000 0.995 216 E CA 0.157 56.545 56.400 -0.021 0.000 0.808 216 E CB 1.654 31.345 29.700 -0.017 0.000 1.093 216 E HN 0.711 nan 8.360 nan 0.000 0.394 217 S N 0.903 116.576 115.700 -0.045 0.000 3.445 217 S HA -0.137 4.334 4.470 0.001 0.000 0.319 217 S C -1.851 172.686 174.600 -0.105 0.000 1.209 217 S CA 0.620 58.776 58.200 -0.074 0.000 0.934 217 S CB -1.962 61.195 63.200 -0.072 0.000 0.999 217 S HN 0.443 nan 8.310 nan 0.000 0.582 218 P HA 0.499 nan 4.420 nan 0.000 0.276 218 P C 0.225 177.489 177.300 -0.061 0.000 1.261 218 P CA -0.685 62.393 63.100 -0.036 0.000 0.800 218 P CB 0.332 32.034 31.700 0.003 0.000 1.066 219 F N -0.004 119.937 119.950 -0.016 0.000 2.410 219 F HA 0.325 4.853 4.527 0.001 0.000 0.334 219 F C 0.945 176.737 175.800 -0.013 0.000 1.134 219 F CA -0.033 57.960 58.000 -0.012 0.000 1.227 219 F CB 0.513 39.507 39.000 -0.012 0.000 1.194 219 F HN 0.020 nan 8.300 nan 0.000 0.571 220 I N 4.681 125.401 120.570 0.250 0.000 2.468 220 I HA 0.173 4.344 4.170 0.001 0.000 0.284 220 I C -1.224 174.959 176.117 0.110 0.000 1.038 220 I CA -0.696 60.683 61.300 0.132 0.000 1.083 220 I CB 1.641 39.701 38.000 0.099 0.000 1.223 220 I HN 0.256 nan 8.210 nan 0.000 0.443 221 L N 7.773 129.036 121.223 0.067 0.000 2.281 221 L HA 0.455 4.795 4.340 0.001 0.000 0.285 221 L C -0.717 176.177 176.870 0.041 0.000 1.074 221 L CA -0.163 54.700 54.840 0.037 0.000 0.817 221 L CB 1.013 43.079 42.059 0.012 0.000 1.168 221 L HN 0.591 nan 8.230 nan 0.000 0.434 222 L N 6.356 127.600 121.223 0.034 0.000 2.371 222 L HA 0.428 4.768 4.340 0.001 0.000 0.262 222 L C 0.291 177.170 176.870 0.016 0.000 1.054 222 L CA -0.345 54.513 54.840 0.029 0.000 0.924 222 L CB 1.091 43.169 42.059 0.030 0.000 1.295 222 L HN 0.693 nan 8.230 nan 0.000 0.441 223 A N 0.752 123.581 122.820 0.015 0.000 2.274 223 A HA 0.243 4.563 4.320 0.001 0.000 0.309 223 A C 0.442 178.028 177.584 0.005 0.000 1.226 223 A CA -0.452 51.590 52.037 0.010 0.000 0.853 223 A CB 0.653 19.662 19.000 0.014 0.000 1.146 223 A HN 0.635 nan 8.150 nan 0.000 0.518 224 D N 1.336 121.736 120.400 0.001 0.000 2.323 224 D HA 0.090 4.731 4.640 0.001 0.000 0.239 224 D C 0.582 176.883 176.300 0.002 0.000 1.129 224 D CA 0.634 54.633 54.000 -0.002 0.000 0.865 224 D CB -0.215 40.583 40.800 -0.004 0.000 0.913 224 D HN 0.705 nan 8.370 nan 0.000 0.517 225 K N -2.018 118.386 120.400 0.007 0.000 2.234 225 K HA 0.498 4.819 4.320 0.001 0.000 0.263 225 K C -1.057 175.554 176.600 0.018 0.000 1.006 225 K CA -1.095 55.199 56.287 0.011 0.000 0.854 225 K CB 0.735 33.241 32.500 0.010 0.000 1.497 225 K HN -0.345 nan 8.250 nan 0.000 0.417 226 K N 0.934 121.347 120.400 0.020 0.000 2.172 226 K HA 0.350 4.671 4.320 0.001 0.000 0.276 226 K C -0.489 176.126 176.600 0.025 0.000 1.013 226 K CA -0.555 55.748 56.287 0.027 0.000 0.913 226 K CB 0.755 33.271 32.500 0.027 0.000 1.055 226 K HN 0.412 nan 8.250 nan 0.000 0.461 227 I N 3.782 124.371 120.570 0.032 0.000 2.311 227 I HA -0.027 4.143 4.170 0.001 0.000 0.297 227 I C 0.970 177.104 176.117 0.029 0.000 1.131 227 I CA 0.382 61.700 61.300 0.029 0.000 1.289 227 I CB -0.554 37.467 38.000 0.036 0.000 1.446 227 I HN 0.702 nan 8.210 nan 0.000 0.524 228 S N 4.215 119.928 115.700 0.021 0.000 2.414 228 S HA -0.009 4.461 4.470 0.001 0.000 0.227 228 S C 0.867 175.477 174.600 0.017 0.000 1.022 228 S CA 0.206 58.417 58.200 0.019 0.000 0.958 228 S CB 0.187 63.395 63.200 0.014 0.000 0.797 228 S HN 0.760 nan 8.310 nan 0.000 0.493 229 N N -0.004 118.705 118.700 0.015 0.000 2.591 229 N HA 0.193 4.934 4.740 0.001 0.000 0.263 229 N C 0.048 175.565 175.510 0.012 0.000 1.308 229 N CA -0.387 52.670 53.050 0.012 0.000 0.837 229 N CB 1.526 40.018 38.487 0.007 0.000 1.548 229 N HN 0.059 nan 8.380 nan 0.000 0.493 230 I N 0.681 121.258 120.570 0.011 0.000 2.916 230 I HA 0.019 4.190 4.170 0.001 0.000 0.267 230 I C 2.328 178.446 176.117 0.003 0.000 1.263 230 I CA 0.663 61.969 61.300 0.010 0.000 1.471 230 I CB -0.694 37.312 38.000 0.010 0.000 1.089 230 I HN 0.556 nan 8.210 nan 0.000 0.468 231 R N 1.746 122.247 120.500 0.001 0.000 2.143 231 R HA -0.301 4.040 4.340 0.001 0.000 0.239 231 R C 2.129 178.426 176.300 -0.005 0.000 1.126 231 R CA 2.620 58.719 56.100 -0.003 0.000 0.927 231 R CB -0.441 29.858 30.300 -0.002 0.000 0.860 231 R HN 0.412 nan 8.270 nan 0.000 0.433 232 E N -0.010 120.188 120.200 -0.003 0.000 2.147 232 E HA -0.239 4.112 4.350 0.001 0.000 0.199 232 E C 1.853 178.446 176.600 -0.011 0.000 1.005 232 E CA 2.121 58.517 56.400 -0.006 0.000 0.810 232 E CB -0.165 29.534 29.700 -0.002 0.000 0.736 232 E HN 0.299 nan 8.360 nan 0.000 0.460 233 M N -0.594 119.001 119.600 -0.009 0.000 2.349 233 M HA 0.034 4.515 4.480 0.001 0.000 0.266 233 M C 1.474 177.761 176.300 -0.022 0.000 1.076 233 M CA 0.699 55.990 55.300 -0.015 0.000 1.126 233 M CB 0.158 32.754 32.600 -0.005 0.000 1.392 233 M HN 0.082 nan 8.290 nan 0.000 0.440 234 L N 0.460 121.672 121.223 -0.018 0.000 2.010 234 L HA -0.248 4.093 4.340 0.001 0.000 0.219 234 L C -0.523 176.330 176.870 -0.029 0.000 1.077 234 L CA 1.814 56.642 54.840 -0.020 0.000 0.773 234 L CB -2.450 39.600 42.059 -0.015 0.000 0.892 234 L HN 0.261 nan 8.230 nan 0.000 0.436 235 P HA -0.113 nan 4.420 nan 0.000 0.215 235 P C 1.810 179.074 177.300 -0.061 0.000 1.157 235 P CA 1.915 64.991 63.100 -0.040 0.000 0.859 235 P CB -0.237 31.442 31.700 -0.036 0.000 0.786 236 V N -2.236 117.635 119.914 -0.072 0.000 2.427 236 V HA -0.167 3.954 4.120 0.001 0.000 0.248 236 V C 2.541 178.563 176.094 -0.120 0.000 1.051 236 V CA 1.366 63.599 62.300 -0.112 0.000 1.048 236 V CB -2.020 29.735 31.823 -0.113 0.000 0.666 236 V HN -0.078 nan 8.190 nan 0.000 0.456 237 L N 1.006 122.183 121.223 -0.077 0.000 1.994 237 L HA -0.114 4.227 4.340 0.001 0.000 0.208 237 L C 2.642 179.480 176.870 -0.053 0.000 1.071 237 L CA 2.558 57.363 54.840 -0.059 0.000 0.745 237 L CB -0.949 41.090 42.059 -0.034 0.000 0.892 237 L HN 0.535 nan 8.230 nan 0.000 0.431 238 E N -0.616 119.557 120.200 -0.046 0.000 2.085 238 E HA -0.265 4.086 4.350 0.001 0.000 0.194 238 E C 2.029 178.601 176.600 -0.047 0.000 0.994 238 E CA 1.255 57.633 56.400 -0.037 0.000 0.801 238 E CB -0.138 29.544 29.700 -0.030 0.000 0.743 238 E HN 0.624 nan 8.360 nan 0.000 0.453 239 A N 0.880 123.657 122.820 -0.073 0.000 1.877 239 A HA -0.168 4.152 4.320 0.001 0.000 0.216 239 A C 2.431 179.953 177.584 -0.103 0.000 1.186 239 A CA 2.027 54.010 52.037 -0.090 0.000 0.620 239 A CB -0.932 17.994 19.000 -0.124 0.000 0.822 239 A HN 0.328 nan 8.150 nan 0.000 0.443 240 V N -2.780 117.043 119.914 -0.151 0.000 2.667 240 V HA 0.107 4.228 4.120 0.001 0.000 0.252 240 V C 2.428 178.526 176.094 0.007 0.000 1.065 240 V CA 1.559 63.793 62.300 -0.109 0.000 1.083 240 V CB -1.217 30.496 31.823 -0.185 0.000 0.692 240 V HN 0.500 nan 8.190 nan 0.000 0.468 241 A N 0.817 123.631 122.820 -0.011 0.000 1.898 241 A HA -0.122 4.199 4.320 0.001 0.000 0.216 241 A C 2.294 179.885 177.584 0.012 0.000 1.181 241 A CA 1.928 53.969 52.037 0.007 0.000 0.620 241 A CB -0.551 18.447 19.000 -0.004 0.000 0.819 241 A HN 0.581 nan 8.150 nan 0.000 0.442 242 K N -0.248 120.153 120.400 0.003 0.000 2.280 242 K HA 0.005 4.326 4.320 0.001 0.000 0.202 242 K C 1.750 178.366 176.600 0.026 0.000 1.047 242 K CA 0.894 57.186 56.287 0.009 0.000 0.942 242 K CB -0.208 32.291 32.500 -0.001 0.000 0.739 242 K HN 0.438 nan 8.250 nan 0.000 0.457 243 A N 0.304 123.151 122.820 0.045 0.000 2.251 243 A HA 0.198 4.519 4.320 0.001 0.000 0.209 243 A C 1.452 179.085 177.584 0.083 0.000 1.187 243 A CA 0.726 52.814 52.037 0.086 0.000 0.823 243 A CB -0.331 18.768 19.000 0.165 0.000 0.846 243 A HN 0.388 nan 8.150 nan 0.000 0.486 244 G N -0.732 108.104 108.800 0.060 0.000 2.184 244 G HA2 -0.256 3.705 3.960 0.001 0.000 0.264 244 G HA3 -0.256 3.705 3.960 0.001 0.000 0.264 244 G C 0.250 175.184 174.900 0.057 0.000 0.975 244 G CA 0.580 45.708 45.100 0.047 0.000 0.642 244 G HN 0.421 nan 8.290 nan 0.000 0.536 245 K N 1.094 121.552 120.400 0.097 0.000 2.205 245 K HA 0.431 4.751 4.320 0.001 0.000 0.279 245 K C -2.149 174.504 176.600 0.089 0.000 1.027 245 K CA -1.736 54.621 56.287 0.117 0.000 0.932 245 K CB 1.142 33.804 32.500 0.271 0.000 1.032 245 K HN 0.089 nan 8.250 nan 0.000 0.466 246 P HA 0.086 nan 4.420 nan 0.000 0.270 246 P C -0.632 176.703 177.300 0.058 0.000 1.223 246 P CA -0.377 62.741 63.100 0.030 0.000 0.785 246 P CB 0.532 32.232 31.700 0.001 0.000 0.923 247 L N 3.127 124.358 121.223 0.014 0.000 2.409 247 L HA 0.427 4.768 4.340 0.001 0.000 0.272 247 L C -1.556 175.288 176.870 -0.043 0.000 0.980 247 L CA -0.828 54.027 54.840 0.024 0.000 0.826 247 L CB 1.650 43.713 42.059 0.006 0.000 1.268 247 L HN 0.268 nan 8.230 nan 0.000 0.407 248 L N 6.816 128.032 121.223 -0.012 0.000 2.280 248 L HA 0.466 4.806 4.340 0.001 0.000 0.287 248 L C -0.397 176.471 176.870 -0.002 0.000 1.023 248 L CA -0.378 54.438 54.840 -0.040 0.000 0.819 248 L CB 1.357 43.411 42.059 -0.008 0.000 1.212 248 L HN 0.559 nan 8.230 nan 0.000 0.420 249 I N 6.440 126.998 120.570 -0.019 0.000 2.337 249 I HA 0.236 4.406 4.170 0.001 0.000 0.291 249 I C 0.239 176.395 176.117 0.065 0.000 1.046 249 I CA -0.095 61.219 61.300 0.024 0.000 1.324 249 I CB 0.768 38.782 38.000 0.024 0.000 1.409 249 I HN 0.415 nan 8.210 nan 0.000 0.494 250 I N 6.722 127.339 120.570 0.078 0.000 2.307 250 I HA 0.567 4.737 4.170 0.001 0.000 0.289 250 I C 0.369 176.519 176.117 0.055 0.000 1.021 250 I CA -0.055 61.302 61.300 0.095 0.000 1.224 250 I CB 0.995 39.062 38.000 0.113 0.000 1.376 250 I HN 0.650 nan 8.210 nan 0.000 0.470 251 A N 5.065 127.918 122.820 0.054 0.000 2.483 251 A HA 0.507 4.828 4.320 0.001 0.000 0.286 251 A C 0.670 178.271 177.584 0.028 0.000 1.207 251 A CA -0.554 51.505 52.037 0.036 0.000 0.764 251 A CB 1.147 20.174 19.000 0.045 0.000 1.341 251 A HN 0.697 nan 8.150 nan 0.000 0.428 252 E N -0.452 119.761 120.200 0.022 0.000 2.110 252 E HA -0.071 4.280 4.350 0.001 0.000 0.193 252 E C -0.437 176.188 176.600 0.041 0.000 0.988 252 E CA 1.484 57.899 56.400 0.025 0.000 0.804 252 E CB 0.147 29.861 29.700 0.023 0.000 0.745 252 E HN 0.562 nan 8.360 nan 0.000 0.458 253 D N -1.915 118.514 120.400 0.048 0.000 2.694 253 D HA 0.142 4.783 4.640 0.001 0.000 0.260 253 D C -1.860 174.479 176.300 0.066 0.000 1.250 253 D CA -0.519 53.517 54.000 0.061 0.000 0.763 253 D CB 1.898 42.728 40.800 0.051 0.000 1.311 253 D HN -0.241 nan 8.370 nan 0.000 0.420 254 V N 2.011 121.975 119.914 0.082 0.000 2.376 254 V HA 0.417 4.538 4.120 0.001 0.000 0.287 254 V C 0.091 176.228 176.094 0.072 0.000 1.015 254 V CA -0.734 61.615 62.300 0.083 0.000 0.834 254 V CB 1.280 33.173 31.823 0.117 0.000 1.001 254 V HN 0.494 nan 8.190 nan 0.000 0.428 255 E N 3.146 123.377 120.200 0.052 0.000 2.374 255 E HA 0.423 4.774 4.350 0.001 0.000 0.260 255 E C 1.495 178.117 176.600 0.036 0.000 1.101 255 E CA 0.759 57.183 56.400 0.040 0.000 0.907 255 E CB 1.484 31.202 29.700 0.030 0.000 1.014 255 E HN 0.580 nan 8.360 nan 0.000 0.427 256 G N 2.036 110.852 108.800 0.027 0.000 2.503 256 G HA2 -0.358 3.603 3.960 0.001 0.000 0.221 256 G HA3 -0.358 3.603 3.960 0.001 0.000 0.221 256 G C 1.281 176.188 174.900 0.013 0.000 1.131 256 G CA 1.231 46.344 45.100 0.020 0.000 0.756 256 G HN 0.673 nan 8.290 nan 0.000 0.572 257 E N 0.088 120.295 120.200 0.012 0.000 2.112 257 E HA 0.158 4.509 4.350 0.001 0.000 0.190 257 E C 2.789 179.396 176.600 0.011 0.000 0.979 257 E CA 0.679 57.082 56.400 0.006 0.000 0.814 257 E CB -0.170 29.532 29.700 0.004 0.000 0.762 257 E HN 0.340 nan 8.360 nan 0.000 0.460 258 A N 1.427 124.261 122.820 0.023 0.000 1.902 258 A HA -0.149 4.171 4.320 0.001 0.000 0.217 258 A C 2.170 179.785 177.584 0.051 0.000 1.181 258 A CA 0.944 53.001 52.037 0.034 0.000 0.623 258 A CB -0.697 18.327 19.000 0.040 0.000 0.818 258 A HN 0.409 nan 8.150 nan 0.000 0.443 259 L N -0.634 120.621 121.223 0.054 0.000 1.989 259 L HA -0.208 4.133 4.340 0.001 0.000 0.211 259 L C 2.944 179.822 176.870 0.013 0.000 1.071 259 L CA 1.610 56.486 54.840 0.060 0.000 0.749 259 L CB -0.453 41.637 42.059 0.051 0.000 0.890 259 L HN 0.417 nan 8.230 nan 0.000 0.431 260 A N -0.440 122.372 122.820 -0.013 0.000 1.883 260 A HA -0.260 4.061 4.320 0.001 0.000 0.217 260 A C 2.308 179.859 177.584 -0.055 0.000 1.186 260 A CA 2.554 54.559 52.037 -0.053 0.000 0.624 260 A CB -1.229 17.745 19.000 -0.042 0.000 0.822 260 A HN 0.637 nan 8.150 nan 0.000 0.444 261 T N -1.235 113.306 114.554 -0.022 0.000 2.821 261 T HA -0.052 4.298 4.350 0.001 0.000 0.267 261 T C 1.811 176.511 174.700 -0.000 0.000 1.046 261 T CA 1.420 63.511 62.100 -0.015 0.000 1.139 261 T CB -0.555 68.311 68.868 -0.004 0.000 0.871 261 T HN 0.298 nan 8.240 nan 0.000 0.454 262 L N 0.588 121.833 121.223 0.035 0.000 2.141 262 L HA -0.001 4.340 4.340 0.001 0.000 0.209 262 L C 2.919 179.840 176.870 0.085 0.000 1.094 262 L CA 0.532 55.425 54.840 0.088 0.000 0.763 262 L CB -0.649 41.509 42.059 0.165 0.000 0.908 262 L HN 0.162 nan 8.230 nan 0.000 0.437 263 V N -0.417 119.491 119.914 -0.011 0.000 2.287 263 V HA -0.271 3.850 4.120 0.001 0.000 0.248 263 V C 2.461 178.438 176.094 -0.195 0.000 1.053 263 V CA 1.680 63.876 62.300 -0.173 0.000 1.027 263 V CB -0.221 31.385 31.823 -0.362 0.000 0.646 263 V HN 0.190 nan 8.190 nan 0.000 0.447 264 V N 0.418 120.242 119.914 -0.150 0.000 2.392 264 V HA -0.261 3.859 4.120 0.001 0.000 0.249 264 V C 2.274 178.333 176.094 -0.059 0.000 1.059 264 V CA 2.253 64.484 62.300 -0.115 0.000 1.051 264 V CB -0.803 30.969 31.823 -0.085 0.000 0.658 264 V HN 0.615 nan 8.190 nan 0.000 0.455 265 N N -0.083 118.603 118.700 -0.022 0.000 2.457 265 N HA -0.108 4.633 4.740 0.001 0.000 0.180 265 N C 1.839 177.363 175.510 0.024 0.000 1.050 265 N CA 1.720 54.772 53.050 0.003 0.000 0.906 265 N CB 0.268 38.764 38.487 0.015 0.000 0.968 265 N HN 0.737 nan 8.380 nan 0.000 0.445 266 T N -1.241 113.340 114.554 0.044 0.000 2.953 266 T HA 0.051 4.402 4.350 0.001 0.000 0.247 266 T C 1.437 176.173 174.700 0.061 0.000 1.029 266 T CA -0.110 62.043 62.100 0.088 0.000 1.144 266 T CB -0.363 68.630 68.868 0.209 0.000 0.870 266 T HN 0.177 nan 8.240 nan 0.000 0.446 267 M N 1.752 121.364 119.600 0.019 0.000 2.760 267 M HA 0.393 4.874 4.480 0.001 0.000 0.314 267 M C 0.502 176.812 176.300 0.016 0.000 1.582 267 M CA 0.121 55.440 55.300 0.032 0.000 1.484 267 M CB -0.327 32.255 32.600 -0.030 0.000 1.621 267 M HN 0.318 nan 8.290 nan 0.000 0.470 268 R N 1.698 122.215 120.500 0.029 0.000 3.946 268 R HA -0.171 4.170 4.340 0.001 0.000 0.329 268 R C 0.413 176.718 176.300 0.009 0.000 1.209 268 R CA 0.811 56.920 56.100 0.015 0.000 0.909 268 R CB -1.759 28.545 30.300 0.007 0.000 1.355 268 R HN 1.066 nan 8.270 nan 0.000 0.539 269 G N -0.198 108.609 108.800 0.011 0.000 3.229 269 G HA2 0.403 4.363 3.960 0.001 0.000 0.165 269 G HA3 0.403 4.363 3.960 0.001 0.000 0.165 269 G C 1.009 175.914 174.900 0.009 0.000 1.753 269 G CA 0.252 45.355 45.100 0.005 0.000 1.054 269 G HN 0.125 nan 8.290 nan 0.000 0.544 270 I N -0.999 119.578 120.570 0.010 0.000 4.049 270 I HA 0.159 4.330 4.170 0.001 0.000 0.237 270 I C 0.050 176.176 176.117 0.015 0.000 1.076 270 I CA 0.121 61.427 61.300 0.010 0.000 1.610 270 I CB 0.075 38.078 38.000 0.005 0.000 1.544 270 I HN -0.084 nan 8.210 nan 0.000 0.458 271 V N 2.970 122.894 119.914 0.016 0.000 2.372 271 V HA 0.102 4.222 4.120 0.001 0.000 0.261 271 V C 0.487 176.595 176.094 0.023 0.000 1.055 271 V CA -0.405 61.904 62.300 0.016 0.000 0.930 271 V CB 0.460 32.288 31.823 0.009 0.000 1.031 271 V HN 0.271 nan 8.190 nan 0.000 0.479 272 K N 4.885 125.298 120.400 0.021 0.000 2.715 272 K HA 0.188 4.509 4.320 0.001 0.000 0.248 272 K C 0.229 176.819 176.600 -0.015 0.000 1.276 272 K CA -0.303 56.000 56.287 0.027 0.000 1.209 272 K CB -0.153 32.364 32.500 0.027 0.000 1.509 272 K HN 0.755 nan 8.250 nan 0.000 0.261 273 V N -1.040 118.848 119.914 -0.044 0.000 3.385 273 V HA 0.707 4.828 4.120 0.001 0.000 0.301 273 V C 0.160 175.962 176.094 -0.486 0.000 1.082 273 V CA -0.425 61.775 62.300 -0.167 0.000 1.085 273 V CB 1.258 33.007 31.823 -0.123 0.000 1.152 273 V HN 0.418 nan 8.190 nan 0.000 0.465 274 A N 0.941 123.338 122.820 -0.705 0.000 2.569 274 A HA 1.054 5.375 4.320 0.001 0.000 0.290 274 A C -0.404 176.710 177.584 -0.783 0.000 1.136 274 A CA -0.455 50.712 52.037 -1.450 0.000 0.710 274 A CB 1.536 20.067 19.000 -0.782 0.000 1.303 274 A HN 2.539 nan 8.150 nan 0.000 0.413 275 A N -0.615 121.892 122.820 -0.521 0.000 2.574 275 A HA 0.819 5.140 4.320 0.001 0.000 0.297 275 A C -0.809 176.909 177.584 0.222 0.000 1.062 275 A CA 0.059 52.107 52.037 0.018 0.000 0.686 275 A CB 1.153 20.254 19.000 0.168 0.000 1.285 275 A HN 2.404 nan 8.150 nan 0.000 0.403 276 V N -1.300 118.730 119.914 0.193 0.000 3.114 276 V HA 0.676 4.796 4.120 0.001 0.000 0.308 276 V C -0.804 175.410 176.094 0.200 0.000 1.168 276 V CA -1.224 61.215 62.300 0.231 0.000 1.015 276 V CB 1.836 33.816 31.823 0.262 0.000 1.050 276 V HN 0.854 nan 8.190 nan 0.000 0.433 277 K N 2.239 122.754 120.400 0.192 0.000 2.249 277 K HA 0.696 5.017 4.320 0.001 0.000 0.280 277 K C 0.478 177.133 176.600 0.091 0.000 1.033 277 K CA 0.215 56.578 56.287 0.127 0.000 0.946 277 K CB 1.657 34.216 32.500 0.099 0.000 1.005 277 K HN 1.138 nan 8.250 nan 0.000 0.469 278 A N 4.672 127.468 122.820 -0.039 0.000 2.475 278 A HA 0.165 4.486 4.320 0.001 0.000 0.239 278 A C -1.916 175.425 177.584 -0.405 0.000 1.087 278 A CA -0.801 51.077 52.037 -0.265 0.000 0.779 278 A CB -0.546 18.360 19.000 -0.157 0.000 1.036 278 A HN 0.505 nan 8.150 nan 0.000 0.506 279 P HA 0.453 nan 4.420 nan 0.000 0.274 279 P C 0.655 177.854 177.300 -0.168 0.000 1.237 279 P CA 1.202 64.029 63.100 -0.455 0.000 0.793 279 P CB 0.639 32.002 31.700 -0.563 0.000 0.977 280 G N 1.073 109.858 108.800 -0.026 0.000 2.593 280 G HA2 -0.009 3.951 3.960 0.001 0.000 0.237 280 G HA3 -0.009 3.951 3.960 0.001 0.000 0.237 280 G C -0.959 174.077 174.900 0.227 0.000 1.312 280 G CA 0.055 45.196 45.100 0.068 0.000 0.896 280 G HN 0.822 nan 8.290 nan 0.000 0.574 281 F N -2.569 117.366 119.950 -0.026 0.000 2.672 281 F HA 0.688 5.216 4.527 0.001 0.000 0.311 281 F C 0.813 176.608 175.800 -0.009 0.000 1.113 281 F CA 0.480 58.471 58.000 -0.014 0.000 0.996 281 F CB 0.914 39.914 39.000 0.000 0.000 1.286 281 F HN 2.526 nan 8.300 nan 0.000 0.441 282 G N 2.679 111.502 108.800 0.038 0.000 2.550 282 G HA2 -0.376 3.585 3.960 0.001 0.000 0.277 282 G HA3 -0.376 3.585 3.960 0.001 0.000 0.277 282 G C 0.300 175.138 174.900 -0.103 0.000 1.190 282 G CA 0.842 45.915 45.100 -0.046 0.000 0.971 282 G HN 0.971 nan 8.290 nan 0.000 0.559 283 D N 0.623 120.945 120.400 -0.129 0.000 2.220 283 D HA -0.100 4.540 4.640 0.001 0.000 0.198 283 D C 2.458 178.685 176.300 -0.122 0.000 1.001 283 D CA 1.822 55.756 54.000 -0.110 0.000 0.875 283 D CB -0.145 40.587 40.800 -0.113 0.000 0.921 283 D HN 0.384 nan 8.370 nan 0.000 0.454 284 R N 0.310 120.702 120.500 -0.181 0.000 2.120 284 R HA -0.053 4.287 4.340 0.001 0.000 0.234 284 R C 2.073 178.304 176.300 -0.115 0.000 1.123 284 R CA 1.117 57.118 56.100 -0.164 0.000 0.975 284 R CB -0.556 29.605 30.300 -0.232 0.000 0.866 284 R HN 0.445 nan 8.270 nan 0.000 0.446 285 R N 1.024 121.466 120.500 -0.097 0.000 2.081 285 R HA -0.062 4.279 4.340 0.001 0.000 0.235 285 R C 1.387 177.648 176.300 -0.065 0.000 1.131 285 R CA 1.300 57.353 56.100 -0.078 0.000 0.960 285 R CB -0.290 29.978 30.300 -0.052 0.000 0.856 285 R HN 0.025 nan 8.270 nan 0.000 0.436 286 K N 0.891 121.257 120.400 -0.056 0.000 2.063 286 K HA -0.097 4.224 4.320 0.001 0.000 0.208 286 K C 2.280 178.854 176.600 -0.043 0.000 1.048 286 K CA 1.566 57.827 56.287 -0.043 0.000 0.928 286 K CB -0.372 32.105 32.500 -0.039 0.000 0.713 286 K HN 0.359 nan 8.250 nan 0.000 0.442 287 A N 1.704 124.492 122.820 -0.054 0.000 1.841 287 A HA -0.098 4.223 4.320 0.001 0.000 0.214 287 A C 2.290 179.846 177.584 -0.047 0.000 1.195 287 A CA 1.550 53.558 52.037 -0.049 0.000 0.611 287 A CB -0.454 18.512 19.000 -0.058 0.000 0.835 287 A HN 0.180 nan 8.150 nan 0.000 0.443 288 M N -1.322 118.240 119.600 -0.063 0.000 2.349 288 M HA 0.012 4.492 4.480 0.001 0.000 0.266 288 M C 2.072 178.337 176.300 -0.059 0.000 1.076 288 M CA 0.758 56.019 55.300 -0.065 0.000 1.126 288 M CB -0.234 32.306 32.600 -0.100 0.000 1.392 288 M HN 0.398 nan 8.290 nan 0.000 0.440 289 L N 0.498 121.684 121.223 -0.061 0.000 2.141 289 L HA -0.189 4.152 4.340 0.001 0.000 0.209 289 L C 2.431 179.292 176.870 -0.015 0.000 1.094 289 L CA 1.785 56.602 54.840 -0.039 0.000 0.763 289 L CB -0.426 41.610 42.059 -0.038 0.000 0.908 289 L HN 0.240 nan 8.230 nan 0.000 0.437 290 Q N -0.706 119.084 119.800 -0.017 0.000 2.187 290 Q HA -0.156 4.185 4.340 0.001 0.000 0.199 290 Q C 1.709 177.708 176.000 -0.002 0.000 0.957 290 Q CA 1.507 57.305 55.803 -0.007 0.000 0.857 290 Q CB -0.055 28.676 28.738 -0.012 0.000 0.929 290 Q HN 0.494 nan 8.270 nan 0.000 0.453 291 D N -0.021 120.376 120.400 -0.005 0.000 2.097 291 D HA -0.163 4.478 4.640 0.001 0.000 0.195 291 D C 1.787 178.098 176.300 0.018 0.000 0.989 291 D CA 1.308 55.311 54.000 0.004 0.000 0.827 291 D CB -0.177 40.624 40.800 0.001 0.000 0.966 291 D HN 0.361 nan 8.370 nan 0.000 0.456 292 I N 1.274 121.859 120.570 0.025 0.000 2.226 292 I HA -0.242 3.929 4.170 0.001 0.000 0.245 292 I C 2.533 178.673 176.117 0.038 0.000 1.100 292 I CA 1.005 62.333 61.300 0.046 0.000 1.374 292 I CB -0.249 37.790 38.000 0.064 0.000 1.057 292 I HN -0.081 nan 8.210 nan 0.000 0.413 293 A N 0.469 123.305 122.820 0.028 0.000 1.908 293 A HA -0.227 4.094 4.320 0.001 0.000 0.218 293 A C 2.387 179.985 177.584 0.023 0.000 1.181 293 A CA 2.584 54.637 52.037 0.027 0.000 0.627 293 A CB -1.167 17.846 19.000 0.020 0.000 0.818 293 A HN 0.405 nan 8.150 nan 0.000 0.445 294 T N -0.075 114.489 114.554 0.017 0.000 2.788 294 T HA -0.122 4.228 4.350 0.001 0.000 0.268 294 T C 1.774 176.483 174.700 0.014 0.000 1.044 294 T CA 1.480 63.588 62.100 0.013 0.000 1.139 294 T CB -0.312 68.561 68.868 0.009 0.000 0.867 294 T HN 0.323 nan 8.240 nan 0.000 0.454 295 L N 1.826 123.061 121.223 0.019 0.000 2.217 295 L HA 0.025 4.366 4.340 0.001 0.000 0.211 295 L C 2.263 179.143 176.870 0.016 0.000 1.107 295 L CA 1.737 56.588 54.840 0.018 0.000 0.783 295 L CB -0.690 41.385 42.059 0.027 0.000 0.919 295 L HN 0.401 nan 8.230 nan 0.000 0.442 296 T N -5.485 109.082 114.554 0.022 0.000 3.010 296 T HA 0.394 4.744 4.350 0.001 0.000 0.257 296 T C 1.441 176.152 174.700 0.018 0.000 1.020 296 T CA 0.270 62.382 62.100 0.020 0.000 0.938 296 T CB 0.283 69.172 68.868 0.035 0.000 1.049 296 T HN 0.461 nan 8.240 nan 0.000 0.522 297 G N 0.759 109.571 108.800 0.021 0.000 2.179 297 G HA2 -0.099 3.862 3.960 0.001 0.000 0.260 297 G HA3 -0.099 3.862 3.960 0.001 0.000 0.260 297 G C 0.550 175.475 174.900 0.041 0.000 0.977 297 G CA 0.006 45.120 45.100 0.023 0.000 0.641 297 G HN 1.025 nan 8.290 nan 0.000 0.533 298 G N -1.193 107.638 108.800 0.052 0.000 2.510 298 G HA2 0.620 4.581 3.960 0.001 0.000 0.280 298 G HA3 0.620 4.581 3.960 0.001 0.000 0.280 298 G C -0.144 174.783 174.900 0.044 0.000 1.386 298 G CA 0.555 45.695 45.100 0.066 0.000 1.047 298 G HN 0.595 nan 8.290 nan 0.000 0.527 299 T N -0.204 114.374 114.554 0.039 0.000 2.885 299 T HA 0.432 4.782 4.350 0.001 0.000 0.285 299 T C 0.167 174.879 174.700 0.020 0.000 1.019 299 T CA -0.335 61.780 62.100 0.024 0.000 1.010 299 T CB 1.576 70.455 68.868 0.019 0.000 1.022 299 T HN 0.761 nan 8.240 nan 0.000 0.466 300 V N 1.583 121.504 119.914 0.012 0.000 2.403 300 V HA 0.348 4.469 4.120 0.001 0.000 0.265 300 V C 0.090 176.187 176.094 0.004 0.000 1.034 300 V CA -0.480 61.824 62.300 0.007 0.000 1.036 300 V CB -0.986 30.837 31.823 0.000 0.000 1.032 300 V HN 0.693 nan 8.190 nan 0.000 0.478 301 I N 4.795 125.367 120.570 0.004 0.000 2.349 301 I HA 0.099 4.270 4.170 0.001 0.000 0.302 301 I C 0.997 177.113 176.117 -0.001 0.000 1.180 301 I CA 0.997 62.297 61.300 0.001 0.000 1.405 301 I CB -0.156 37.843 38.000 -0.001 0.000 1.474 301 I HN 0.637 nan 8.210 nan 0.000 0.632 302 S N 4.991 120.690 115.700 -0.002 0.000 3.363 302 S HA 0.144 4.615 4.470 0.001 0.000 0.267 302 S C 1.324 175.923 174.600 -0.003 0.000 1.288 302 S CA -0.484 57.714 58.200 -0.003 0.000 0.948 302 S CB -0.106 63.091 63.200 -0.004 0.000 1.397 302 S HN 0.560 nan 8.310 nan 0.000 0.493 303 E N 1.846 122.045 120.200 -0.002 0.000 2.265 303 E HA -0.164 4.187 4.350 0.001 0.000 0.196 303 E C 1.230 177.829 176.600 -0.001 0.000 0.996 303 E CA 0.777 57.177 56.400 -0.001 0.000 0.832 303 E CB 0.103 29.803 29.700 0.000 0.000 0.756 303 E HN 0.675 nan 8.360 nan 0.000 0.491 304 E N 0.039 120.238 120.200 -0.002 0.000 2.409 304 E HA -0.101 4.250 4.350 0.001 0.000 0.198 304 E C 1.177 177.776 176.600 -0.003 0.000 1.024 304 E CA 0.495 56.894 56.400 -0.002 0.000 0.861 304 E CB 0.130 29.829 29.700 -0.003 0.000 0.788 304 E HN 0.343 nan 8.360 nan 0.000 0.521 305 I N -0.599 119.970 120.570 -0.003 0.000 3.889 305 I HA 0.229 4.400 4.170 0.001 0.000 0.332 305 I C 1.000 177.116 176.117 -0.003 0.000 1.493 305 I CA -0.059 61.239 61.300 -0.003 0.000 1.158 305 I CB 0.385 38.383 38.000 -0.003 0.000 1.117 305 I HN 0.053 nan 8.210 nan 0.000 0.411 306 G N 1.913 110.712 108.800 -0.002 0.000 2.143 306 G HA2 -0.304 3.657 3.960 0.001 0.000 0.248 306 G HA3 -0.304 3.657 3.960 0.001 0.000 0.248 306 G C 0.399 175.297 174.900 -0.003 0.000 0.991 306 G CA -0.165 44.934 45.100 -0.002 0.000 0.689 306 G HN 0.431 nan 8.290 nan 0.000 0.522 307 M N 1.326 120.924 119.600 -0.003 0.000 3.596 307 M HA 0.193 4.674 4.480 0.001 0.000 0.219 307 M C 0.692 176.990 176.300 -0.005 0.000 1.471 307 M CA 0.215 55.513 55.300 -0.004 0.000 1.644 307 M CB 0.110 32.708 32.600 -0.003 0.000 1.083 307 M HN 0.241 nan 8.290 nan 0.000 0.579 308 E N 1.481 121.678 120.200 -0.005 0.000 2.360 308 E HA 0.061 4.412 4.350 0.001 0.000 0.269 308 E C 0.507 177.102 176.600 -0.008 0.000 1.022 308 E CA -0.090 56.306 56.400 -0.005 0.000 0.887 308 E CB 1.092 30.790 29.700 -0.004 0.000 0.990 308 E HN 0.653 nan 8.360 nan 0.000 0.426 309 L N 3.896 125.114 121.223 -0.008 0.000 2.131 309 L HA -0.174 4.167 4.340 0.001 0.000 0.210 309 L C 2.049 178.909 176.870 -0.017 0.000 1.092 309 L CA 1.160 55.992 54.840 -0.013 0.000 0.759 309 L CB -0.162 41.891 42.059 -0.010 0.000 0.903 309 L HN 0.619 nan 8.230 nan 0.000 0.435 310 E N -0.030 120.161 120.200 -0.014 0.000 2.409 310 E HA -0.200 4.151 4.350 0.001 0.000 0.198 310 E C 1.307 177.896 176.600 -0.018 0.000 1.024 310 E CA 0.726 57.116 56.400 -0.016 0.000 0.861 310 E CB 0.125 29.818 29.700 -0.012 0.000 0.788 310 E HN 0.362 nan 8.360 nan 0.000 0.521 311 K N -0.161 120.229 120.400 -0.017 0.000 2.358 311 K HA 0.200 4.521 4.320 0.001 0.000 0.200 311 K C 0.254 176.842 176.600 -0.020 0.000 1.030 311 K CA -0.062 56.215 56.287 -0.016 0.000 1.097 311 K CB 1.056 33.549 32.500 -0.012 0.000 0.862 311 K HN 0.001 nan 8.250 nan 0.000 0.534 312 A N 0.243 123.048 122.820 -0.025 0.000 2.275 312 A HA 0.652 4.973 4.320 0.001 0.000 0.282 312 A C 0.104 177.661 177.584 -0.044 0.000 1.275 312 A CA 0.023 52.041 52.037 -0.032 0.000 0.842 312 A CB 0.476 19.456 19.000 -0.034 0.000 1.280 312 A HN 0.134 nan 8.150 nan 0.000 0.508 313 T N -1.417 113.103 114.554 -0.057 0.000 2.769 313 T HA 0.369 4.720 4.350 0.001 0.000 0.306 313 T C 0.720 175.351 174.700 -0.114 0.000 1.400 313 T CA -0.525 61.530 62.100 -0.074 0.000 1.007 313 T CB 0.785 69.626 68.868 -0.045 0.000 1.392 313 T HN 0.366 nan 8.240 nan 0.000 0.500 314 L N 1.241 122.362 121.223 -0.170 0.000 2.129 314 L HA -0.144 4.197 4.340 0.001 0.000 0.212 314 L C 2.656 179.455 176.870 -0.118 0.000 1.087 314 L CA 1.919 56.566 54.840 -0.322 0.000 0.757 314 L CB -0.876 40.982 42.059 -0.335 0.000 0.896 314 L HN 0.853 nan 8.230 nan 0.000 0.434 315 E N -0.488 119.708 120.200 -0.006 0.000 2.267 315 E HA -0.256 4.095 4.350 0.001 0.000 0.197 315 E C 0.944 177.573 176.600 0.048 0.000 0.998 315 E CA 1.522 57.956 56.400 0.056 0.000 0.830 315 E CB -0.436 29.282 29.700 0.031 0.000 0.751 315 E HN 0.586 nan 8.360 nan 0.000 0.491 316 D N 0.408 120.813 120.400 0.009 0.000 2.347 316 D HA 0.046 4.687 4.640 0.001 0.000 0.213 316 D C -0.008 176.312 176.300 0.034 0.000 0.985 316 D CA 0.353 54.360 54.000 0.012 0.000 0.879 316 D CB 0.250 41.043 40.800 -0.011 0.000 0.919 316 D HN 0.155 nan 8.370 nan 0.000 0.526 317 L N 0.685 121.942 121.223 0.056 0.000 2.307 317 L HA 0.393 4.734 4.340 0.001 0.000 0.282 317 L C 1.164 178.190 176.870 0.260 0.000 1.051 317 L CA -0.544 54.373 54.840 0.128 0.000 0.804 317 L CB 1.574 43.660 42.059 0.044 0.000 1.197 317 L HN -0.212 nan 8.230 nan 0.000 0.431 318 G N 1.790 110.703 108.800 0.188 0.000 2.616 318 G HA2 0.530 4.490 3.960 0.001 0.000 0.268 318 G HA3 0.530 4.490 3.960 0.001 0.000 0.268 318 G C -0.690 174.274 174.900 0.108 0.000 1.213 318 G CA -0.326 44.853 45.100 0.131 0.000 0.926 318 G HN 0.554 nan 8.290 nan 0.000 0.523 319 Q N -1.442 118.355 119.800 -0.006 0.000 2.456 319 Q HA 0.639 4.980 4.340 0.001 0.000 0.283 319 Q C -0.794 175.169 176.000 -0.063 0.000 1.084 319 Q CA -0.882 54.859 55.803 -0.105 0.000 0.801 319 Q CB 2.617 31.195 28.738 -0.267 0.000 1.434 319 Q HN 0.804 nan 8.270 nan 0.000 0.419 320 A N 0.549 123.327 122.820 -0.070 0.000 2.587 320 A HA 0.372 4.693 4.320 0.001 0.000 0.293 320 A C -0.106 177.443 177.584 -0.058 0.000 1.087 320 A CA -0.593 51.415 52.037 -0.048 0.000 0.692 320 A CB 1.612 20.599 19.000 -0.022 0.000 1.291 320 A HN 0.787 nan 8.150 nan 0.000 0.407 321 K N -0.420 119.953 120.400 -0.046 0.000 2.152 321 K HA -0.032 4.289 4.320 0.001 0.000 0.206 321 K C 0.624 177.202 176.600 -0.037 0.000 1.048 321 K CA 1.578 57.839 56.287 -0.043 0.000 0.933 321 K CB 0.001 32.482 32.500 -0.032 0.000 0.721 321 K HN 0.597 nan 8.250 nan 0.000 0.447 322 R N -1.350 119.132 120.500 -0.030 0.000 2.712 322 R HA 0.370 4.711 4.340 0.001 0.000 0.272 322 R C -2.112 174.175 176.300 -0.022 0.000 1.032 322 R CA -0.698 55.387 56.100 -0.024 0.000 0.874 322 R CB 2.384 32.672 30.300 -0.019 0.000 1.256 322 R HN -0.038 nan 8.270 nan 0.000 0.468 323 V N 2.441 122.343 119.914 -0.019 0.000 2.888 323 V HA 0.782 4.903 4.120 0.001 0.000 0.309 323 V C -1.418 174.668 176.094 -0.015 0.000 1.114 323 V CA -0.458 61.829 62.300 -0.022 0.000 0.940 323 V CB 2.173 33.984 31.823 -0.020 0.000 1.021 323 V HN 0.581 nan 8.190 nan 0.000 0.426 324 V N 4.373 124.276 119.914 -0.019 0.000 2.789 324 V HA 0.869 4.990 4.120 0.001 0.000 0.311 324 V C -1.184 174.915 176.094 0.007 0.000 1.073 324 V CA -0.695 61.609 62.300 0.006 0.000 0.921 324 V CB 1.802 33.635 31.823 0.017 0.000 1.009 324 V HN 0.780 nan 8.190 nan 0.000 0.426 325 I N 4.117 124.725 120.570 0.062 0.000 2.656 325 I HA 0.662 4.833 4.170 0.001 0.000 0.292 325 I C -0.363 175.867 176.117 0.188 0.000 1.144 325 I CA -0.260 61.102 61.300 0.103 0.000 1.038 325 I CB 2.220 40.320 38.000 0.167 0.000 1.244 325 I HN 0.990 nan 8.210 nan 0.000 0.420 326 N N 3.987 122.755 118.700 0.113 0.000 3.294 326 N HA 0.369 5.110 4.740 0.001 0.000 0.355 326 N C 0.524 175.846 175.510 -0.314 0.000 1.497 326 N CA -0.751 52.346 53.050 0.078 0.000 0.707 326 N CB 0.634 39.097 38.487 -0.040 0.000 1.732 326 N HN 0.526 nan 8.380 nan 0.000 0.640 327 K N -0.911 119.264 120.400 -0.374 0.000 2.209 327 K HA -0.111 4.210 4.320 0.001 0.000 0.204 327 K C 0.376 176.749 176.600 -0.378 0.000 1.048 327 K CA 2.091 58.035 56.287 -0.572 0.000 0.940 327 K CB -0.064 32.287 32.500 -0.248 0.000 0.729 327 K HN 0.702 nan 8.250 nan 0.000 0.451 328 D N -2.330 117.945 120.400 -0.208 0.000 2.480 328 D HA 0.012 4.653 4.640 0.001 0.000 0.243 328 D C -0.173 176.098 176.300 -0.048 0.000 1.120 328 D CA -0.013 53.927 54.000 -0.101 0.000 0.835 328 D CB 0.759 41.531 40.800 -0.047 0.000 1.204 328 D HN -0.137 nan 8.370 nan 0.000 0.513 329 T N 0.141 114.662 114.554 -0.055 0.000 2.912 329 T HA 0.461 4.811 4.350 0.001 0.000 0.299 329 T C -0.949 173.680 174.700 -0.118 0.000 1.052 329 T CA -0.298 61.769 62.100 -0.055 0.000 0.996 329 T CB 2.431 71.296 68.868 -0.005 0.000 1.070 329 T HN -0.146 nan 8.240 nan 0.000 0.465 330 T N 1.860 116.234 114.554 -0.300 0.000 2.888 330 T HA 0.758 5.109 4.350 0.001 0.000 0.284 330 T C -0.557 173.845 174.700 -0.496 0.000 1.017 330 T CA -0.561 61.274 62.100 -0.442 0.000 1.022 330 T CB 1.771 70.172 68.868 -0.779 0.000 1.013 330 T HN 0.597 nan 8.240 nan 0.000 0.465 331 T N 2.230 116.604 114.554 -0.300 0.000 3.105 331 T HA 0.581 4.932 4.350 0.001 0.000 0.321 331 T C -0.862 173.762 174.700 -0.127 0.000 1.135 331 T CA -0.795 61.170 62.100 -0.225 0.000 1.053 331 T CB 0.336 69.123 68.868 -0.135 0.000 1.133 331 T HN 0.599 nan 8.240 nan 0.000 0.463 332 I N 2.954 123.473 120.570 -0.085 0.000 2.499 332 I HA 0.728 4.899 4.170 0.001 0.000 0.296 332 I C -0.744 175.360 176.117 -0.022 0.000 0.992 332 I CA -0.906 60.375 61.300 -0.031 0.000 1.297 332 I CB 1.176 39.181 38.000 0.008 0.000 1.410 332 I HN 0.518 nan 8.210 nan 0.000 0.507 333 I N 3.514 124.073 120.570 -0.019 0.000 2.499 333 I HA 0.270 4.441 4.170 0.001 0.000 0.288 333 I C -0.799 175.308 176.117 -0.016 0.000 1.048 333 I CA -0.521 60.768 61.300 -0.018 0.000 1.062 333 I CB 1.660 39.648 38.000 -0.020 0.000 1.238 333 I HN 0.729 nan 8.210 nan 0.000 0.426 334 D N 5.008 125.400 120.400 -0.014 0.000 2.927 334 D HA -0.126 4.515 4.640 0.001 0.000 0.236 334 D C 0.402 176.691 176.300 -0.018 0.000 1.163 334 D CA 1.048 55.039 54.000 -0.015 0.000 0.801 334 D CB -0.270 40.519 40.800 -0.018 0.000 0.975 334 D HN 0.858 nan 8.370 nan 0.000 0.413 335 G N 0.249 109.043 108.800 -0.011 0.000 2.559 335 G HA2 0.254 4.214 3.960 0.001 0.000 0.235 335 G HA3 0.254 4.214 3.960 0.001 0.000 0.235 335 G C 1.406 176.296 174.900 -0.017 0.000 1.266 335 G CA -0.132 44.962 45.100 -0.010 0.000 0.847 335 G HN 0.378 nan 8.290 nan 0.000 0.583 336 V N 2.268 122.167 119.914 -0.025 0.000 3.510 336 V HA 0.076 4.196 4.120 0.001 0.000 0.270 336 V C 2.032 178.116 176.094 -0.016 0.000 1.201 336 V CA 0.864 63.145 62.300 -0.031 0.000 1.166 336 V CB -0.924 30.866 31.823 -0.055 0.000 0.825 336 V HN 0.822 nan 8.190 nan 0.000 0.484 337 G N 0.070 108.866 108.800 -0.006 0.000 2.636 337 G HA2 0.319 4.279 3.960 0.001 0.000 0.246 337 G HA3 0.319 4.279 3.960 0.001 0.000 0.246 337 G C -0.284 174.614 174.900 -0.003 0.000 1.216 337 G CA -0.177 44.923 45.100 -0.001 0.000 0.854 337 G HN 0.263 nan 8.290 nan 0.000 0.572 338 E N -0.489 119.710 120.200 -0.001 0.000 2.277 338 E HA 0.174 4.525 4.350 0.001 0.000 0.266 338 E C 0.809 177.408 176.600 -0.001 0.000 0.901 338 E CA -0.783 55.616 56.400 -0.003 0.000 0.782 338 E CB 1.942 31.641 29.700 -0.003 0.000 1.228 338 E HN 0.502 nan 8.360 nan 0.000 0.424 339 E N 1.067 121.266 120.200 -0.002 0.000 2.160 339 E HA -0.182 4.169 4.350 0.001 0.000 0.195 339 E C 1.568 178.167 176.600 -0.001 0.000 0.991 339 E CA 1.133 57.532 56.400 -0.002 0.000 0.810 339 E CB -0.005 29.693 29.700 -0.003 0.000 0.742 339 E HN 0.553 nan 8.360 nan 0.000 0.466 340 A N 0.946 123.765 122.820 -0.001 0.000 2.076 340 A HA -0.061 4.259 4.320 0.001 0.000 0.220 340 A C 2.237 179.821 177.584 0.000 0.000 1.160 340 A CA 1.868 53.905 52.037 -0.001 0.000 0.653 340 A CB -0.182 18.818 19.000 -0.001 0.000 0.801 340 A HN 0.269 nan 8.150 nan 0.000 0.455 341 A N -0.831 121.990 122.820 0.001 0.000 1.993 341 A HA 0.322 4.643 4.320 0.001 0.000 0.207 341 A C 1.950 179.534 177.584 0.001 0.000 1.224 341 A CA 0.638 52.675 52.037 0.001 0.000 0.749 341 A CB -0.233 18.769 19.000 0.003 0.000 0.884 341 A HN 0.365 nan 8.150 nan 0.000 0.467 342 I N -0.024 120.547 120.570 0.002 0.000 2.252 342 I HA -0.234 3.937 4.170 0.001 0.000 0.245 342 I C 2.547 178.665 176.117 0.001 0.000 1.102 342 I CA 1.001 62.302 61.300 0.002 0.000 1.385 342 I CB -0.234 37.767 38.000 0.002 0.000 1.064 342 I HN 0.278 nan 8.210 nan 0.000 0.414 343 Q N 0.676 120.475 119.800 -0.000 0.000 2.084 343 Q HA -0.135 4.206 4.340 0.001 0.000 0.202 343 Q C 2.366 178.365 176.000 -0.001 0.000 0.978 343 Q CA 1.803 57.605 55.803 -0.001 0.000 0.844 343 Q CB -0.843 27.894 28.738 -0.001 0.000 0.898 343 Q HN 0.609 nan 8.270 nan 0.000 0.426 344 G N 0.842 109.642 108.800 -0.001 0.000 2.442 344 G HA2 -0.305 3.655 3.960 0.001 0.000 0.219 344 G HA3 -0.305 3.655 3.960 0.001 0.000 0.219 344 G C 1.698 176.596 174.900 -0.002 0.000 1.141 344 G CA 0.939 46.038 45.100 -0.002 0.000 0.763 344 G HN 0.233 nan 8.290 nan 0.000 0.554 345 R N 0.098 120.597 120.500 -0.001 0.000 2.092 345 R HA 0.049 4.390 4.340 0.001 0.000 0.231 345 R C 2.660 178.958 176.300 -0.003 0.000 1.119 345 R CA 1.068 57.167 56.100 -0.002 0.000 0.970 345 R CB -0.845 29.455 30.300 0.000 0.000 0.864 345 R HN 0.223 nan 8.270 nan 0.000 0.440 346 V N 0.651 120.563 119.914 -0.002 0.000 2.343 346 V HA -0.231 3.890 4.120 0.001 0.000 0.247 346 V C 2.293 178.384 176.094 -0.004 0.000 1.051 346 V CA 1.967 64.265 62.300 -0.003 0.000 1.036 346 V CB -0.894 30.928 31.823 -0.002 0.000 0.654 346 V HN 0.505 nan 8.190 nan 0.000 0.451 347 A N -0.889 121.929 122.820 -0.004 0.000 1.933 347 A HA -0.277 4.043 4.320 0.001 0.000 0.218 347 A C 2.168 179.749 177.584 -0.005 0.000 1.175 347 A CA 1.855 53.890 52.037 -0.004 0.000 0.628 347 A CB -0.443 18.555 19.000 -0.003 0.000 0.814 347 A HN 0.623 nan 8.150 nan 0.000 0.444 348 Q N -0.508 119.289 119.800 -0.005 0.000 2.084 348 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 348 Q C 1.948 177.943 176.000 -0.009 0.000 0.978 348 Q CA 1.548 57.347 55.803 -0.007 0.000 0.844 348 Q CB -0.320 28.413 28.738 -0.007 0.000 0.898 348 Q HN 0.751 nan 8.270 nan 0.000 0.426 349 I N 0.274 120.838 120.570 -0.009 0.000 2.286 349 I HA -0.267 3.903 4.170 0.001 0.000 0.248 349 I C 2.306 178.416 176.117 -0.011 0.000 1.115 349 I CA 0.841 62.134 61.300 -0.012 0.000 1.392 349 I CB -0.211 37.782 38.000 -0.011 0.000 1.065 349 I HN 0.141 nan 8.210 nan 0.000 0.418 350 R N 0.517 121.012 120.500 -0.008 0.000 2.105 350 R HA -0.225 4.116 4.340 0.001 0.000 0.239 350 R C 2.144 178.440 176.300 -0.007 0.000 1.135 350 R CA 1.359 57.455 56.100 -0.007 0.000 0.967 350 R CB -0.645 29.651 30.300 -0.006 0.000 0.861 350 R HN 0.468 nan 8.270 nan 0.000 0.442 351 Q N 0.604 120.399 119.800 -0.007 0.000 2.436 351 Q HA -0.103 4.238 4.340 0.001 0.000 0.209 351 Q C 1.576 177.572 176.000 -0.008 0.000 0.965 351 Q CA 1.009 56.808 55.803 -0.007 0.000 0.910 351 Q CB 0.276 29.010 28.738 -0.006 0.000 0.980 351 Q HN 0.400 nan 8.270 nan 0.000 0.491 352 Q N -0.684 119.110 119.800 -0.010 0.000 2.297 352 Q HA 0.058 4.398 4.340 0.001 0.000 0.203 352 Q C 1.824 177.817 176.000 -0.011 0.000 0.931 352 Q CA 0.465 56.261 55.803 -0.012 0.000 0.885 352 Q CB 0.309 29.037 28.738 -0.017 0.000 0.991 352 Q HN 0.437 nan 8.270 nan 0.000 0.498 353 I N 1.460 122.024 120.570 -0.010 0.000 2.335 353 I HA -0.277 3.894 4.170 0.001 0.000 0.251 353 I C 2.332 178.446 176.117 -0.004 0.000 1.129 353 I CA 1.108 62.404 61.300 -0.008 0.000 1.402 353 I CB -0.243 37.752 38.000 -0.008 0.000 1.069 353 I HN 0.300 nan 8.210 nan 0.000 0.424 354 E N 1.072 121.270 120.200 -0.004 0.000 2.233 354 E HA -0.296 4.055 4.350 0.001 0.000 0.199 354 E C 1.676 178.275 176.600 -0.002 0.000 1.004 354 E CA 1.343 57.741 56.400 -0.003 0.000 0.819 354 E CB 0.104 29.802 29.700 -0.004 0.000 0.738 354 E HN 0.395 nan 8.360 nan 0.000 0.478 355 E N -0.715 119.483 120.200 -0.002 0.000 2.409 355 E HA -0.046 4.305 4.350 0.001 0.000 0.198 355 E C 1.137 177.739 176.600 0.003 0.000 1.024 355 E CA 0.848 57.248 56.400 -0.001 0.000 0.861 355 E CB -0.065 29.634 29.700 -0.002 0.000 0.788 355 E HN 0.416 nan 8.360 nan 0.000 0.521 356 A N -0.889 121.933 122.820 0.004 0.000 4.395 356 A HA -0.375 3.946 4.320 0.001 0.000 0.264 356 A C 1.951 179.542 177.584 0.012 0.000 0.822 356 A CA 2.330 54.372 52.037 0.007 0.000 1.118 356 A CB -2.558 16.445 19.000 0.005 0.000 1.060 356 A HN 0.440 nan 8.150 nan 0.000 0.780 357 T N -2.916 111.646 114.554 0.014 0.000 2.985 357 T HA 0.407 4.758 4.350 0.001 0.000 0.266 357 T C 0.844 175.560 174.700 0.026 0.000 1.076 357 T CA 1.396 63.506 62.100 0.017 0.000 1.135 357 T CB 0.039 68.916 68.868 0.014 0.000 0.890 357 T HN 1.674 nan 8.240 nan 0.000 0.480 358 S N -0.120 115.601 115.700 0.035 0.000 2.571 358 S HA 0.395 4.866 4.470 0.001 0.000 0.284 358 S C -0.473 174.166 174.600 0.065 0.000 1.128 358 S CA -0.689 57.546 58.200 0.058 0.000 0.970 358 S CB 1.824 65.070 63.200 0.075 0.000 1.039 358 S HN 0.070 nan 8.310 nan 0.000 0.485 359 D N 2.026 122.473 120.400 0.078 0.000 2.183 359 D HA 0.027 4.668 4.640 0.001 0.000 0.203 359 D C 1.156 177.518 176.300 0.104 0.000 0.969 359 D CA 1.011 55.056 54.000 0.075 0.000 0.842 359 D CB -0.015 40.827 40.800 0.071 0.000 0.957 359 D HN 0.687 nan 8.370 nan 0.000 0.484 360 Y N 1.144 121.451 120.300 0.011 0.000 2.220 360 Y HA -0.099 4.451 4.550 0.001 0.000 0.291 360 Y C 1.301 177.209 175.900 0.013 0.000 1.129 360 Y CA 1.497 59.606 58.100 0.016 0.000 1.161 360 Y CB -0.013 38.461 38.460 0.022 0.000 0.997 360 Y HN -0.088 nan 8.280 nan 0.000 0.522 361 D N -0.834 119.633 120.400 0.111 0.000 2.149 361 D HA -0.101 4.540 4.640 0.001 0.000 0.201 361 D C 2.054 178.335 176.300 -0.032 0.000 0.972 361 D CA 1.022 55.032 54.000 0.018 0.000 0.835 361 D CB -0.067 40.763 40.800 0.050 0.000 0.966 361 D HN 0.228 nan 8.370 nan 0.000 0.476 362 R N 0.583 121.076 120.500 -0.012 0.000 2.152 362 R HA -0.097 4.244 4.340 0.001 0.000 0.232 362 R C 2.064 178.334 176.300 -0.051 0.000 1.117 362 R CA 0.731 56.817 56.100 -0.023 0.000 0.981 362 R CB -0.049 30.250 30.300 -0.003 0.000 0.870 362 R HN 0.293 nan 8.270 nan 0.000 0.451 363 E N 1.119 121.265 120.200 -0.089 0.000 2.031 363 E HA -0.219 4.132 4.350 0.001 0.000 0.193 363 E C 1.472 177.982 176.600 -0.150 0.000 0.994 363 E CA 1.399 57.720 56.400 -0.132 0.000 0.800 363 E CB 0.204 29.781 29.700 -0.204 0.000 0.752 363 E HN 0.010 nan 8.360 nan 0.000 0.447 364 K N 0.380 120.660 120.400 -0.200 0.000 2.209 364 K HA -0.071 4.250 4.320 0.001 0.000 0.204 364 K C 2.053 178.602 176.600 -0.085 0.000 1.048 364 K CA 0.649 56.845 56.287 -0.151 0.000 0.940 364 K CB -0.158 32.245 32.500 -0.161 0.000 0.729 364 K HN 0.169 nan 8.250 nan 0.000 0.451 365 L N -0.221 120.960 121.223 -0.069 0.000 2.072 365 L HA -0.149 4.191 4.340 0.001 0.000 0.205 365 L C 2.442 179.290 176.870 -0.036 0.000 1.079 365 L CA 0.930 55.743 54.840 -0.044 0.000 0.752 365 L CB -0.301 41.738 42.059 -0.034 0.000 0.906 365 L HN 0.135 nan 8.230 nan 0.000 0.436 366 Q N 0.663 120.439 119.800 -0.039 0.000 2.124 366 Q HA -0.221 4.120 4.340 0.001 0.000 0.202 366 Q C 1.932 177.916 176.000 -0.028 0.000 0.977 366 Q CA 1.660 57.445 55.803 -0.030 0.000 0.850 366 Q CB -0.047 28.673 28.738 -0.030 0.000 0.901 366 Q HN 0.435 nan 8.270 nan 0.000 0.429 367 E N -0.376 119.801 120.200 -0.038 0.000 2.058 367 E HA -0.213 4.138 4.350 0.001 0.000 0.194 367 E C 2.148 178.742 176.600 -0.010 0.000 0.997 367 E CA 1.220 57.605 56.400 -0.025 0.000 0.801 367 E CB -0.119 29.559 29.700 -0.036 0.000 0.746 367 E HN 0.312 nan 8.360 nan 0.000 0.450 368 R N 0.313 120.804 120.500 -0.016 0.000 2.120 368 R HA -0.100 4.240 4.340 0.001 0.000 0.234 368 R C 2.422 178.721 176.300 -0.003 0.000 1.123 368 R CA 0.871 56.967 56.100 -0.007 0.000 0.975 368 R CB -0.210 30.080 30.300 -0.017 0.000 0.866 368 R HN 0.048 nan 8.270 nan 0.000 0.446 369 V N 0.815 120.724 119.914 -0.008 0.000 2.261 369 V HA -0.250 3.871 4.120 0.001 0.000 0.246 369 V C 2.406 178.499 176.094 -0.002 0.000 1.047 369 V CA 2.093 64.390 62.300 -0.005 0.000 1.015 369 V CB -0.688 31.130 31.823 -0.009 0.000 0.642 369 V HN 0.414 nan 8.190 nan 0.000 0.446 370 A N -0.408 122.411 122.820 -0.003 0.000 1.873 370 A HA -0.153 4.167 4.320 0.001 0.000 0.215 370 A C 2.057 179.644 177.584 0.005 0.000 1.186 370 A CA 1.390 53.427 52.037 -0.001 0.000 0.616 370 A CB -0.353 18.644 19.000 -0.004 0.000 0.823 370 A HN 0.409 nan 8.150 nan 0.000 0.442 371 K N -0.781 119.627 120.400 0.013 0.000 2.525 371 K HA 0.126 4.447 4.320 0.001 0.000 0.192 371 K C 1.123 177.742 176.600 0.031 0.000 1.029 371 K CA 0.316 56.619 56.287 0.027 0.000 1.029 371 K CB -0.027 32.501 32.500 0.048 0.000 0.814 371 K HN 0.481 nan 8.250 nan 0.000 0.503 372 L N -0.526 120.709 121.223 0.020 0.000 2.670 372 L HA 0.277 4.617 4.340 0.001 0.000 0.177 372 L C 1.742 178.618 176.870 0.009 0.000 1.181 372 L CA 1.049 55.900 54.840 0.018 0.000 0.856 372 L CB -0.706 41.362 42.059 0.016 0.000 1.205 372 L HN -0.050 nan 8.230 nan 0.000 0.506 373 A N -0.591 122.232 122.820 0.005 0.000 2.206 373 A HA 0.209 4.529 4.320 0.001 0.000 0.211 373 A C 1.924 179.507 177.584 -0.001 0.000 1.158 373 A CA 0.944 52.982 52.037 0.001 0.000 0.761 373 A CB -1.126 17.873 19.000 -0.000 0.000 0.801 373 A HN 0.553 nan 8.150 nan 0.000 0.473 374 G N -1.324 107.476 108.800 -0.001 0.000 2.683 374 G HA2 0.386 4.346 3.960 0.001 0.000 0.213 374 G HA3 0.386 4.346 3.960 0.001 0.000 0.213 374 G C 1.149 176.047 174.900 -0.004 0.000 1.142 374 G CA 0.623 45.721 45.100 -0.003 0.000 0.793 374 G HN 1.391 nan 8.290 nan 0.000 0.534 375 G N -0.839 107.961 108.800 -0.001 0.000 2.566 375 G HA2 -0.167 3.794 3.960 0.001 0.000 0.280 375 G HA3 -0.167 3.794 3.960 0.001 0.000 0.280 375 G C -0.313 174.582 174.900 -0.008 0.000 1.225 375 G CA 0.307 45.405 45.100 -0.003 0.000 0.966 375 G HN 1.048 nan 8.290 nan 0.000 0.560 376 V N 0.281 120.188 119.914 -0.012 0.000 2.760 376 V HA 0.745 4.865 4.120 0.001 0.000 0.309 376 V C 0.613 176.696 176.094 -0.018 0.000 1.077 376 V CA -0.077 62.212 62.300 -0.018 0.000 0.910 376 V CB 1.468 33.279 31.823 -0.021 0.000 1.008 376 V HN 2.010 nan 8.190 nan 0.000 0.424 377 A N 3.507 126.314 122.820 -0.021 0.000 2.303 377 A HA 0.900 5.221 4.320 0.001 0.000 0.317 377 A C -0.342 177.229 177.584 -0.021 0.000 1.149 377 A CA -0.426 51.599 52.037 -0.020 0.000 0.822 377 A CB 1.438 20.425 19.000 -0.022 0.000 1.131 377 A HN 1.646 nan 8.150 nan 0.000 0.493 378 V N 0.184 120.088 119.914 -0.018 0.000 2.680 378 V HA 0.778 4.899 4.120 0.001 0.000 0.309 378 V C -0.679 175.407 176.094 -0.013 0.000 1.052 378 V CA -0.726 61.565 62.300 -0.015 0.000 0.908 378 V CB 1.524 33.340 31.823 -0.013 0.000 1.001 378 V HN 0.660 nan 8.190 nan 0.000 0.431 379 I N 3.706 124.269 120.570 -0.011 0.000 2.405 379 I HA 0.419 4.590 4.170 0.001 0.000 0.280 379 I C 0.099 176.213 176.117 -0.005 0.000 1.027 379 I CA -0.473 60.822 61.300 -0.008 0.000 1.161 379 I CB 1.407 39.401 38.000 -0.009 0.000 1.300 379 I HN 0.636 nan 8.210 nan 0.000 0.463 380 K N 5.455 125.852 120.400 -0.005 0.000 2.315 380 K HA 0.279 4.600 4.320 0.001 0.000 0.291 380 K C -0.527 176.071 176.600 -0.002 0.000 1.074 380 K CA -0.300 55.985 56.287 -0.004 0.000 0.936 380 K CB 0.917 33.414 32.500 -0.005 0.000 1.049 380 K HN 0.326 nan 8.250 nan 0.000 0.471 381 V N 3.451 123.365 119.914 -0.000 0.000 2.405 381 V HA 0.148 4.268 4.120 0.001 0.000 0.264 381 V C 0.873 176.967 176.094 0.000 0.000 1.048 381 V CA -0.480 61.820 62.300 0.001 0.000 0.966 381 V CB 0.817 32.642 31.823 0.003 0.000 1.015 381 V HN 0.853 nan 8.190 nan 0.000 0.477 382 G N 3.574 112.373 108.800 -0.001 0.000 2.425 382 G HA2 0.791 4.752 3.960 0.001 0.000 0.302 382 G HA3 0.791 4.752 3.960 0.001 0.000 0.302 382 G C -0.436 174.464 174.900 -0.001 0.000 1.159 382 G CA 0.180 45.279 45.100 -0.001 0.000 0.865 382 G HN 1.214 nan 8.290 nan 0.000 0.515 383 A N -0.457 122.362 122.820 -0.001 0.000 2.586 383 A HA 0.723 5.043 4.320 0.001 0.000 0.291 383 A C 0.563 178.147 177.584 -0.000 0.000 1.062 383 A CA 0.271 52.308 52.037 -0.000 0.000 0.666 383 A CB 0.453 19.454 19.000 0.001 0.000 1.281 383 A HN 1.886 nan 8.150 nan 0.000 0.421 384 A N -0.460 122.360 122.820 -0.000 0.000 2.206 384 A HA 0.517 4.837 4.320 0.001 0.000 0.211 384 A C 0.939 178.523 177.584 0.000 0.000 1.158 384 A CA 1.855 53.892 52.037 -0.000 0.000 0.761 384 A CB -0.344 18.656 19.000 -0.000 0.000 0.801 384 A HN 2.289 nan 8.150 nan 0.000 0.473 385 T N -2.814 111.741 114.554 0.001 0.000 2.843 385 T HA 0.159 4.509 4.350 0.001 0.000 0.337 385 T C 0.250 174.951 174.700 0.002 0.000 1.754 385 T CA 0.064 62.165 62.100 0.001 0.000 1.052 385 T CB 0.813 69.682 68.868 0.002 0.000 1.588 385 T HN 0.227 nan 8.240 nan 0.000 0.493 386 E N 1.258 121.459 120.200 0.002 0.000 2.160 386 E HA -0.110 4.240 4.350 0.001 0.000 0.195 386 E C 1.804 178.406 176.600 0.003 0.000 0.991 386 E CA 1.814 58.215 56.400 0.002 0.000 0.810 386 E CB -0.017 29.684 29.700 0.002 0.000 0.742 386 E HN 0.514 nan 8.360 nan 0.000 0.466 387 V N 1.038 120.954 119.914 0.004 0.000 2.343 387 V HA -0.255 3.866 4.120 0.001 0.000 0.247 387 V C 2.374 178.471 176.094 0.004 0.000 1.051 387 V CA 2.287 64.590 62.300 0.005 0.000 1.036 387 V CB -0.528 31.298 31.823 0.005 0.000 0.654 387 V HN 0.344 nan 8.190 nan 0.000 0.451 388 E N -0.580 119.623 120.200 0.004 0.000 2.112 388 E HA -0.170 4.181 4.350 0.001 0.000 0.190 388 E C 2.241 178.843 176.600 0.003 0.000 0.979 388 E CA 0.882 57.284 56.400 0.003 0.000 0.814 388 E CB -0.059 29.642 29.700 0.002 0.000 0.762 388 E HN 0.561 nan 8.360 nan 0.000 0.460 389 M N 0.689 120.291 119.600 0.003 0.000 2.086 389 M HA -0.196 4.285 4.480 0.001 0.000 0.261 389 M C 1.818 178.120 176.300 0.004 0.000 1.067 389 M CA 1.669 56.970 55.300 0.003 0.000 1.116 389 M CB 0.023 32.624 32.600 0.002 0.000 1.348 389 M HN -0.064 nan 8.290 nan 0.000 0.407 390 K N -0.391 120.012 120.400 0.004 0.000 2.217 390 K HA -0.146 4.175 4.320 0.001 0.000 0.202 390 K C 1.938 178.542 176.600 0.006 0.000 1.051 390 K CA 1.020 57.310 56.287 0.005 0.000 0.952 390 K CB -0.187 32.316 32.500 0.004 0.000 0.736 390 K HN 0.501 nan 8.250 nan 0.000 0.453 391 E N 1.832 122.035 120.200 0.006 0.000 2.015 391 E HA -0.215 4.136 4.350 0.001 0.000 0.191 391 E C 2.049 178.653 176.600 0.007 0.000 0.991 391 E CA 1.300 57.704 56.400 0.007 0.000 0.802 391 E CB 0.136 29.840 29.700 0.006 0.000 0.759 391 E HN 0.123 nan 8.360 nan 0.000 0.447 392 K N 0.806 121.210 120.400 0.006 0.000 2.026 392 K HA -0.191 4.130 4.320 0.001 0.000 0.208 392 K C 2.341 178.947 176.600 0.009 0.000 1.048 392 K CA 1.483 57.774 56.287 0.007 0.000 0.929 392 K CB -0.062 32.440 32.500 0.004 0.000 0.713 392 K HN -0.069 nan 8.250 nan 0.000 0.439 393 K N -0.047 120.359 120.400 0.009 0.000 2.057 393 K HA -0.106 4.215 4.320 0.001 0.000 0.206 393 K C 1.992 178.602 176.600 0.017 0.000 1.050 393 K CA 1.135 57.430 56.287 0.012 0.000 0.935 393 K CB -0.137 32.370 32.500 0.011 0.000 0.715 393 K HN 0.217 nan 8.250 nan 0.000 0.439 394 A N 1.426 124.254 122.820 0.014 0.000 1.940 394 A HA -0.196 4.125 4.320 0.001 0.000 0.219 394 A C 2.061 179.656 177.584 0.018 0.000 1.176 394 A CA 1.475 53.520 52.037 0.014 0.000 0.631 394 A CB -0.412 18.593 19.000 0.009 0.000 0.814 394 A HN 0.313 nan 8.150 nan 0.000 0.446 395 R N -0.862 119.648 120.500 0.017 0.000 2.070 395 R HA -0.075 4.266 4.340 0.001 0.000 0.233 395 R C 2.046 178.362 176.300 0.025 0.000 1.137 395 R CA 1.546 57.657 56.100 0.019 0.000 0.945 395 R CB -0.644 29.664 30.300 0.013 0.000 0.845 395 R HN 0.356 nan 8.270 nan 0.000 0.430 396 V N 1.452 121.380 119.914 0.024 0.000 2.407 396 V HA -0.237 3.884 4.120 0.001 0.000 0.248 396 V C 1.905 178.027 176.094 0.048 0.000 1.055 396 V CA 1.842 64.158 62.300 0.027 0.000 1.049 396 V CB -0.471 31.363 31.823 0.018 0.000 0.662 396 V HN 0.364 nan 8.190 nan 0.000 0.455 397 E N -0.214 120.019 120.200 0.056 0.000 2.204 397 E HA -0.243 4.108 4.350 0.001 0.000 0.195 397 E C 1.771 178.447 176.600 0.127 0.000 0.990 397 E CA 1.558 58.012 56.400 0.091 0.000 0.821 397 E CB -0.094 29.641 29.700 0.059 0.000 0.750 397 E HN 0.685 nan 8.360 nan 0.000 0.477 398 D N -0.283 120.166 120.400 0.081 0.000 2.201 398 D HA 0.020 4.660 4.640 0.001 0.000 0.209 398 D C 1.811 178.170 176.300 0.098 0.000 0.961 398 D CA 0.964 55.013 54.000 0.082 0.000 0.861 398 D CB 0.055 40.880 40.800 0.042 0.000 0.997 398 D HN 0.131 nan 8.370 nan 0.000 0.486 399 A N 0.523 123.382 122.820 0.065 0.000 1.972 399 A HA -0.102 4.219 4.320 0.001 0.000 0.219 399 A C 2.067 179.673 177.584 0.037 0.000 1.169 399 A CA 0.790 52.853 52.037 0.044 0.000 0.635 399 A CB -0.724 18.291 19.000 0.026 0.000 0.810 399 A HN 0.308 nan 8.150 nan 0.000 0.446 400 L N -1.422 119.822 121.223 0.035 0.000 2.005 400 L HA -0.186 4.155 4.340 0.001 0.000 0.207 400 L C 2.646 179.479 176.870 -0.062 0.000 1.072 400 L CA 1.682 56.506 54.840 -0.027 0.000 0.744 400 L CB -0.497 41.532 42.059 -0.050 0.000 0.895 400 L HN 0.488 nan 8.230 nan 0.000 0.433 401 H N -0.398 118.674 119.070 0.003 0.000 2.353 401 H HA -0.135 4.422 4.556 0.001 0.000 0.300 401 H C 2.191 177.523 175.328 0.007 0.000 1.090 401 H CA 1.447 57.498 56.048 0.004 0.000 1.327 401 H CB -0.068 29.698 29.762 0.006 0.000 1.383 401 H HN 0.551 nan 8.280 nan 0.000 0.508 402 A N 0.532 123.424 122.820 0.121 0.000 1.908 402 A HA -0.174 4.147 4.320 0.001 0.000 0.218 402 A C 2.642 180.248 177.584 0.036 0.000 1.181 402 A CA 2.162 54.240 52.037 0.069 0.000 0.627 402 A CB -0.906 18.127 19.000 0.055 0.000 0.818 402 A HN 0.386 nan 8.150 nan 0.000 0.445 403 T N -0.355 114.210 114.554 0.018 0.000 2.674 403 T HA -0.149 4.202 4.350 0.001 0.000 0.265 403 T C 2.093 176.789 174.700 -0.007 0.000 1.039 403 T CA 1.474 63.574 62.100 -0.000 0.000 1.150 403 T CB -0.256 68.605 68.868 -0.011 0.000 0.864 403 T HN 0.460 nan 8.240 nan 0.000 0.427 404 R N 0.844 121.331 120.500 -0.023 0.000 2.081 404 R HA 0.004 4.345 4.340 0.001 0.000 0.235 404 R C 2.830 179.131 176.300 0.002 0.000 1.131 404 R CA 1.329 57.413 56.100 -0.026 0.000 0.960 404 R CB -0.586 29.673 30.300 -0.067 0.000 0.856 404 R HN 0.390 nan 8.270 nan 0.000 0.436 405 A N 1.227 124.062 122.820 0.025 0.000 1.902 405 A HA -0.124 4.197 4.320 0.001 0.000 0.217 405 A C 2.374 179.972 177.584 0.023 0.000 1.181 405 A CA 1.736 53.795 52.037 0.037 0.000 0.623 405 A CB -0.537 18.499 19.000 0.060 0.000 0.818 405 A HN 0.405 nan 8.150 nan 0.000 0.443 406 A N -0.580 122.250 122.820 0.017 0.000 1.858 406 A HA -0.027 4.294 4.320 0.001 0.000 0.216 406 A C 2.189 179.776 177.584 0.004 0.000 1.190 406 A CA 1.761 53.803 52.037 0.009 0.000 0.617 406 A CB -1.079 17.925 19.000 0.006 0.000 0.827 406 A HN 0.433 nan 8.150 nan 0.000 0.443 407 V N 0.605 120.520 119.914 0.002 0.000 2.469 407 V HA -0.258 3.863 4.120 0.001 0.000 0.251 407 V C 2.091 178.186 176.094 0.002 0.000 1.064 407 V CA 2.165 64.464 62.300 -0.001 0.000 1.066 407 V CB -0.860 30.959 31.823 -0.006 0.000 0.667 407 V HN 0.628 nan 8.190 nan 0.000 0.461 408 E N -0.627 119.576 120.200 0.006 0.000 2.511 408 E HA -0.095 4.255 4.350 0.001 0.000 0.196 408 E C 1.459 178.064 176.600 0.009 0.000 1.066 408 E CA 0.457 56.862 56.400 0.009 0.000 0.871 408 E CB 0.091 29.799 29.700 0.014 0.000 0.863 408 E HN 0.700 nan 8.360 nan 0.000 0.520 409 E N -0.761 119.443 120.200 0.006 0.000 2.603 409 E HA 0.179 4.530 4.350 0.001 0.000 0.224 409 E C 0.661 177.261 176.600 0.001 0.000 0.896 409 E CA 0.193 56.595 56.400 0.003 0.000 1.224 409 E CB 1.513 31.213 29.700 -0.000 0.000 1.206 409 E HN 0.193 nan 8.360 nan 0.000 0.576 410 G N 1.383 110.184 108.800 0.001 0.000 2.482 410 G HA2 -0.188 3.773 3.960 0.001 0.000 0.214 410 G HA3 -0.188 3.773 3.960 0.001 0.000 0.214 410 G C -0.575 174.324 174.900 -0.001 0.000 1.271 410 G CA -0.451 44.649 45.100 -0.000 0.000 0.944 410 G HN 0.521 nan 8.290 nan 0.000 0.568 411 V N -2.361 117.552 119.914 -0.001 0.000 3.007 411 V HA 0.986 5.107 4.120 0.001 0.000 0.311 411 V C 0.466 176.560 176.094 -0.000 0.000 1.120 411 V CA 0.245 62.544 62.300 -0.002 0.000 0.980 411 V CB 1.198 33.020 31.823 -0.002 0.000 1.033 411 V HN 2.484 nan 8.190 nan 0.000 0.429 412 V N -0.445 119.469 119.914 -0.000 0.000 3.105 412 V HA 1.039 5.160 4.120 0.001 0.000 0.311 412 V C 0.474 176.570 176.094 0.004 0.000 1.287 412 V CA -0.699 61.602 62.300 0.003 0.000 1.066 412 V CB 1.257 33.081 31.823 0.002 0.000 1.105 412 V HN 2.092 nan 8.190 nan 0.000 0.462 413 A N 0.333 123.159 122.820 0.009 0.000 2.450 413 A HA 0.713 5.034 4.320 0.001 0.000 0.255 413 A C 0.714 178.302 177.584 0.007 0.000 1.096 413 A CA 0.503 52.546 52.037 0.011 0.000 0.778 413 A CB -0.362 18.651 19.000 0.022 0.000 1.031 413 A HN 1.896 nan 8.150 nan 0.000 0.494 414 G N 0.383 109.184 108.800 0.001 0.000 2.525 414 G HA2 0.513 4.474 3.960 0.001 0.000 0.287 414 G HA3 0.513 4.474 3.960 0.001 0.000 0.287 414 G C 1.119 176.020 174.900 0.001 0.000 1.350 414 G CA -0.047 45.052 45.100 -0.002 0.000 1.039 414 G HN 2.203 nan 8.290 nan 0.000 0.513 415 G N -2.107 106.692 108.800 -0.001 0.000 2.187 415 G HA2 0.178 4.139 3.960 0.001 0.000 0.261 415 G HA3 0.178 4.139 3.960 0.001 0.000 0.261 415 G C 1.538 176.444 174.900 0.010 0.000 1.000 415 G CA 1.271 46.374 45.100 0.005 0.000 0.718 415 G HN 2.516 nan 8.290 nan 0.000 0.519 416 G N -2.421 106.383 108.800 0.006 0.000 2.168 416 G HA2 -0.185 3.776 3.960 0.001 0.000 0.263 416 G HA3 -0.185 3.776 3.960 0.001 0.000 0.263 416 G C 1.434 176.343 174.900 0.014 0.000 0.977 416 G CA 1.439 46.543 45.100 0.007 0.000 0.659 416 G HN 1.649 nan 8.290 nan 0.000 0.533 417 V N 0.447 120.373 119.914 0.020 0.000 2.515 417 V HA 0.112 4.233 4.120 0.001 0.000 0.250 417 V C 3.022 179.133 176.094 0.029 0.000 1.058 417 V CA 2.786 65.105 62.300 0.031 0.000 1.064 417 V CB -0.522 31.326 31.823 0.041 0.000 0.675 417 V HN 1.083 nan 8.190 nan 0.000 0.461 418 A N -0.421 122.411 122.820 0.021 0.000 1.908 418 A HA -0.214 4.106 4.320 0.001 0.000 0.218 418 A C 2.113 179.704 177.584 0.013 0.000 1.181 418 A CA 2.186 54.233 52.037 0.017 0.000 0.627 418 A CB -0.643 18.363 19.000 0.011 0.000 0.818 418 A HN 0.523 nan 8.150 nan 0.000 0.445 419 L N -0.025 121.203 121.223 0.008 0.000 2.046 419 L HA -0.109 4.232 4.340 0.001 0.000 0.208 419 L C 2.276 179.152 176.870 0.010 0.000 1.077 419 L CA 1.651 56.494 54.840 0.004 0.000 0.747 419 L CB -0.354 41.704 42.059 -0.002 0.000 0.896 419 L HN 0.459 nan 8.230 nan 0.000 0.432 420 I N -1.150 119.430 120.570 0.017 0.000 2.226 420 I HA -0.287 3.884 4.170 0.001 0.000 0.245 420 I C 2.516 178.647 176.117 0.024 0.000 1.100 420 I CA 0.773 62.086 61.300 0.022 0.000 1.374 420 I CB -0.473 37.544 38.000 0.030 0.000 1.057 420 I HN 0.237 nan 8.210 nan 0.000 0.413 421 R N 0.763 121.279 120.500 0.027 0.000 2.073 421 R HA -0.134 4.206 4.340 0.001 0.000 0.234 421 R C 2.408 178.719 176.300 0.018 0.000 1.134 421 R CA 1.860 57.976 56.100 0.027 0.000 0.952 421 R CB -1.283 29.036 30.300 0.032 0.000 0.850 421 R HN 0.471 nan 8.270 nan 0.000 0.433 422 V N -1.141 118.782 119.914 0.013 0.000 2.515 422 V HA -0.048 4.072 4.120 0.001 0.000 0.250 422 V C 2.327 178.426 176.094 0.008 0.000 1.058 422 V CA 1.692 63.997 62.300 0.009 0.000 1.064 422 V CB -1.019 30.807 31.823 0.005 0.000 0.675 422 V HN 0.189 nan 8.190 nan 0.000 0.461 423 A N 1.924 124.749 122.820 0.009 0.000 1.877 423 A HA -0.181 4.140 4.320 0.001 0.000 0.216 423 A C 2.652 180.241 177.584 0.009 0.000 1.186 423 A CA 2.882 54.924 52.037 0.008 0.000 0.620 423 A CB -1.218 17.787 19.000 0.009 0.000 0.822 423 A HN 0.989 nan 8.150 nan 0.000 0.443 424 S N -0.178 115.529 115.700 0.012 0.000 2.382 424 S HA -0.203 4.268 4.470 0.001 0.000 0.228 424 S C 1.886 176.491 174.600 0.009 0.000 1.027 424 S CA 1.669 59.876 58.200 0.011 0.000 0.991 424 S CB -0.369 62.840 63.200 0.015 0.000 0.823 424 S HN 0.589 nan 8.310 nan 0.000 0.469 425 K N 0.663 121.069 120.400 0.009 0.000 2.365 425 K HA 0.189 4.510 4.320 0.001 0.000 0.199 425 K C 1.346 177.949 176.600 0.006 0.000 1.045 425 K CA 0.752 57.043 56.287 0.007 0.000 0.962 425 K CB -0.152 32.353 32.500 0.008 0.000 0.759 425 K HN 0.443 nan 8.250 nan 0.000 0.469 426 L N -0.369 120.857 121.223 0.005 0.000 2.728 426 L HA 0.238 4.579 4.340 0.001 0.000 0.238 426 L C 1.796 178.669 176.870 0.004 0.000 1.143 426 L CA -0.100 54.743 54.840 0.004 0.000 0.937 426 L CB 0.348 42.410 42.059 0.004 0.000 1.225 426 L HN 0.108 nan 8.230 nan 0.000 0.507 427 A N 0.022 122.845 122.820 0.005 0.000 1.927 427 A HA -0.252 4.069 4.320 0.001 0.000 0.220 427 A C 1.821 179.408 177.584 0.004 0.000 1.185 427 A CA 1.955 53.994 52.037 0.004 0.000 0.639 427 A CB -0.270 18.732 19.000 0.004 0.000 0.820 427 A HN 0.337 nan 8.150 nan 0.000 0.451 428 D N -0.831 119.571 120.400 0.003 0.000 2.325 428 D HA 0.146 4.787 4.640 0.001 0.000 0.225 428 D C 0.123 176.425 176.300 0.003 0.000 1.096 428 D CA -0.210 53.791 54.000 0.003 0.000 0.844 428 D CB -0.135 40.666 40.800 0.002 0.000 0.925 428 D HN 0.311 nan 8.370 nan 0.000 0.513 429 L N 1.464 122.689 121.223 0.003 0.000 2.485 429 L HA 0.050 4.390 4.340 0.001 0.000 0.275 429 L C 0.257 177.129 176.870 0.004 0.000 1.207 429 L CA 0.663 55.505 54.840 0.003 0.000 0.855 429 L CB 0.320 42.382 42.059 0.004 0.000 1.114 429 L HN -0.183 nan 8.230 nan 0.000 0.485 430 R N 2.568 123.070 120.500 0.004 0.000 2.905 430 R HA 0.795 5.136 4.340 0.001 0.000 0.260 430 R C -0.212 176.091 176.300 0.004 0.000 1.086 430 R CA -0.336 55.767 56.100 0.004 0.000 0.978 430 R CB 1.165 31.467 30.300 0.003 0.000 1.215 430 R HN 0.828 nan 8.270 nan 0.000 0.480 431 G N -0.673 108.129 108.800 0.004 0.000 3.247 431 G HA2 0.179 4.140 3.960 0.001 0.000 0.226 431 G HA3 0.179 4.140 3.960 0.001 0.000 0.226 431 G C 0.026 174.929 174.900 0.004 0.000 1.220 431 G CA -0.286 44.817 45.100 0.005 0.000 0.875 431 G HN 0.374 nan 8.290 nan 0.000 0.606 432 Q N -0.122 119.681 119.800 0.005 0.000 2.226 432 Q HA -0.014 4.327 4.340 0.001 0.000 0.204 432 Q C 0.259 176.262 176.000 0.004 0.000 0.975 432 Q CA 1.537 57.343 55.803 0.005 0.000 0.866 432 Q CB -0.076 28.665 28.738 0.005 0.000 0.915 432 Q HN 0.587 nan 8.270 nan 0.000 0.440 433 N N -2.657 116.046 118.700 0.005 0.000 3.355 433 N HA -0.030 4.711 4.740 0.001 0.000 0.238 433 N C -0.304 175.209 175.510 0.005 0.000 1.466 433 N CA -0.438 52.614 53.050 0.005 0.000 0.882 433 N CB 0.517 39.007 38.487 0.005 0.000 1.406 433 N HN -0.255 nan 8.380 nan 0.000 0.500 434 E N 0.025 120.228 120.200 0.005 0.000 2.204 434 E HA -0.067 4.284 4.350 0.001 0.000 0.194 434 E C 0.168 176.771 176.600 0.006 0.000 0.989 434 E CA 1.676 58.078 56.400 0.005 0.000 0.824 434 E CB -0.348 29.354 29.700 0.004 0.000 0.756 434 E HN 0.649 nan 8.360 nan 0.000 0.477 435 D N -0.121 120.283 120.400 0.006 0.000 2.104 435 D HA -0.200 4.441 4.640 0.001 0.000 0.194 435 D C 1.855 178.160 176.300 0.007 0.000 0.994 435 D CA 1.438 55.443 54.000 0.007 0.000 0.830 435 D CB -0.104 40.700 40.800 0.007 0.000 0.959 435 D HN 0.294 nan 8.370 nan 0.000 0.452 436 Q N -0.165 119.639 119.800 0.007 0.000 2.123 436 Q HA -0.043 4.297 4.340 0.001 0.000 0.199 436 Q C 1.710 177.714 176.000 0.006 0.000 0.966 436 Q CA 0.608 56.415 55.803 0.007 0.000 0.845 436 Q CB 0.067 28.809 28.738 0.007 0.000 0.907 436 Q HN 0.266 nan 8.270 nan 0.000 0.439 437 N N 0.240 118.943 118.700 0.006 0.000 2.084 437 N HA -0.136 4.604 4.740 0.001 0.000 0.190 437 N C 1.863 177.376 175.510 0.006 0.000 1.030 437 N CA 1.147 54.201 53.050 0.005 0.000 0.849 437 N CB -0.427 38.063 38.487 0.005 0.000 1.012 437 N HN 0.047 nan 8.380 nan 0.000 0.423 438 V N 0.917 120.834 119.914 0.006 0.000 2.343 438 V HA -0.134 3.987 4.120 0.001 0.000 0.247 438 V C 2.441 178.539 176.094 0.007 0.000 1.051 438 V CA 1.986 64.290 62.300 0.007 0.000 1.036 438 V CB -1.250 30.577 31.823 0.007 0.000 0.654 438 V HN 0.360 nan 8.190 nan 0.000 0.451 439 G N -0.114 108.691 108.800 0.008 0.000 2.440 439 G HA2 -0.229 3.732 3.960 0.001 0.000 0.218 439 G HA3 -0.229 3.732 3.960 0.001 0.000 0.218 439 G C 1.576 176.481 174.900 0.008 0.000 1.154 439 G CA 1.073 46.178 45.100 0.009 0.000 0.767 439 G HN 0.485 nan 8.290 nan 0.000 0.552 440 I N 0.159 120.734 120.570 0.007 0.000 2.142 440 I HA -0.145 4.026 4.170 0.001 0.000 0.240 440 I C 2.763 178.884 176.117 0.006 0.000 1.078 440 I CA 1.253 62.556 61.300 0.006 0.000 1.343 440 I CB -0.084 37.919 38.000 0.006 0.000 1.046 440 I HN -0.012 nan 8.210 nan 0.000 0.405 441 K N 0.442 120.846 120.400 0.006 0.000 2.097 441 K HA -0.086 4.234 4.320 0.001 0.000 0.206 441 K C 1.934 178.538 176.600 0.007 0.000 1.049 441 K CA 0.889 57.180 56.287 0.006 0.000 0.933 441 K CB -0.703 31.800 32.500 0.006 0.000 0.717 441 K HN 0.121 nan 8.250 nan 0.000 0.442 442 V N 0.769 120.688 119.914 0.007 0.000 2.287 442 V HA -0.299 3.821 4.120 0.001 0.000 0.248 442 V C 2.193 178.292 176.094 0.008 0.000 1.053 442 V CA 2.140 64.445 62.300 0.008 0.000 1.027 442 V CB -0.762 31.066 31.823 0.009 0.000 0.646 442 V HN 0.372 nan 8.190 nan 0.000 0.447 443 A N -0.466 122.358 122.820 0.008 0.000 1.873 443 A HA -0.121 4.200 4.320 0.001 0.000 0.215 443 A C 2.190 179.777 177.584 0.006 0.000 1.186 443 A CA 1.727 53.769 52.037 0.007 0.000 0.616 443 A CB -0.507 18.497 19.000 0.007 0.000 0.823 443 A HN 0.494 nan 8.150 nan 0.000 0.442 444 L N -1.155 120.071 121.223 0.006 0.000 2.056 444 L HA -0.145 4.196 4.340 0.001 0.000 0.207 444 L C 2.782 179.655 176.870 0.006 0.000 1.078 444 L CA 1.668 56.511 54.840 0.005 0.000 0.749 444 L CB -0.550 41.512 42.059 0.005 0.000 0.901 444 L HN 0.457 nan 8.230 nan 0.000 0.433 445 R N 0.681 121.185 120.500 0.007 0.000 2.127 445 R HA -0.179 4.161 4.340 0.001 0.000 0.238 445 R C 2.185 178.490 176.300 0.008 0.000 1.134 445 R CA 1.391 57.495 56.100 0.007 0.000 0.975 445 R CB -0.171 30.134 30.300 0.007 0.000 0.865 445 R HN 0.352 nan 8.270 nan 0.000 0.447 446 A N 0.360 123.184 122.820 0.008 0.000 2.121 446 A HA -0.072 4.248 4.320 0.001 0.000 0.218 446 A C 1.961 179.550 177.584 0.007 0.000 1.154 446 A CA 0.903 52.945 52.037 0.008 0.000 0.679 446 A CB -0.280 18.725 19.000 0.008 0.000 0.795 446 A HN 0.348 nan 8.150 nan 0.000 0.458 447 M N -0.636 118.968 119.600 0.007 0.000 2.557 447 M HA -0.082 4.398 4.480 0.001 0.000 0.259 447 M C 1.335 177.640 176.300 0.009 0.000 1.086 447 M CA 0.883 56.187 55.300 0.006 0.000 1.096 447 M CB -0.236 32.367 32.600 0.005 0.000 1.424 447 M HN 0.451 nan 8.290 nan 0.000 0.488 448 E N 0.474 120.681 120.200 0.011 0.000 2.427 448 E HA -0.029 4.322 4.350 0.001 0.000 0.196 448 E C 2.042 178.650 176.600 0.012 0.000 1.028 448 E CA 0.485 56.893 56.400 0.013 0.000 0.864 448 E CB 0.044 29.752 29.700 0.014 0.000 0.813 448 E HN 0.493 nan 8.360 nan 0.000 0.514 449 A N 2.282 125.109 122.820 0.010 0.000 1.908 449 A HA -0.129 4.191 4.320 0.001 0.000 0.218 449 A C -0.343 177.247 177.584 0.011 0.000 1.181 449 A CA 1.156 53.199 52.037 0.010 0.000 0.627 449 A CB -1.315 17.691 19.000 0.010 0.000 0.818 449 A HN 0.143 nan 8.150 nan 0.000 0.445 450 P HA -0.171 nan 4.420 nan 0.000 0.214 450 P C 1.865 179.173 177.300 0.013 0.000 1.163 450 P CA 0.868 63.974 63.100 0.010 0.000 0.883 450 P CB -0.172 31.532 31.700 0.007 0.000 0.788 451 L N 0.102 121.334 121.223 0.016 0.000 1.990 451 L HA -0.203 4.138 4.340 0.001 0.000 0.213 451 L C 2.189 179.072 176.870 0.021 0.000 1.072 451 L CA 2.211 57.064 54.840 0.022 0.000 0.755 451 L CB -1.054 41.021 42.059 0.026 0.000 0.889 451 L HN -0.047 nan 8.230 nan 0.000 0.432 452 R N -0.782 119.728 120.500 0.016 0.000 2.091 452 R HA -0.175 4.166 4.340 0.001 0.000 0.238 452 R C 2.149 178.457 176.300 0.013 0.000 1.136 452 R CA 1.461 57.569 56.100 0.013 0.000 0.959 452 R CB -0.147 30.160 30.300 0.011 0.000 0.856 452 R HN 0.535 nan 8.270 nan 0.000 0.437 453 Q N 0.211 120.019 119.800 0.013 0.000 2.245 453 Q HA -0.003 4.337 4.340 0.001 0.000 0.201 453 Q C 2.127 178.134 176.000 0.012 0.000 0.955 453 Q CA 0.925 56.736 55.803 0.012 0.000 0.870 453 Q CB 0.065 28.810 28.738 0.011 0.000 0.945 453 Q HN 0.421 nan 8.270 nan 0.000 0.461 454 I N -0.144 120.435 120.570 0.014 0.000 2.142 454 I HA -0.236 3.934 4.170 0.001 0.000 0.240 454 I C 2.161 178.290 176.117 0.020 0.000 1.078 454 I CA 0.917 62.225 61.300 0.015 0.000 1.343 454 I CB -0.262 37.746 38.000 0.015 0.000 1.046 454 I HN -0.053 nan 8.210 nan 0.000 0.405 455 V N 0.465 120.395 119.914 0.027 0.000 2.515 455 V HA -0.227 3.894 4.120 0.001 0.000 0.250 455 V C 2.302 178.410 176.094 0.024 0.000 1.058 455 V CA 1.259 63.580 62.300 0.035 0.000 1.064 455 V CB -0.430 31.415 31.823 0.036 0.000 0.675 455 V HN 0.343 nan 8.190 nan 0.000 0.461 456 L N 0.486 121.719 121.223 0.017 0.000 2.093 456 L HA -0.105 4.235 4.340 0.001 0.000 0.208 456 L C 2.190 179.067 176.870 0.012 0.000 1.085 456 L CA 1.786 56.634 54.840 0.013 0.000 0.755 456 L CB -0.944 41.122 42.059 0.011 0.000 0.904 456 L HN 0.300 nan 8.230 nan 0.000 0.435 457 N N -0.748 117.959 118.700 0.012 0.000 2.104 457 N HA -0.232 4.508 4.740 0.001 0.000 0.190 457 N C 1.785 177.301 175.510 0.009 0.000 1.024 457 N CA 1.966 55.021 53.050 0.009 0.000 0.853 457 N CB -0.255 38.236 38.487 0.008 0.000 1.008 457 N HN 0.464 nan 8.380 nan 0.000 0.424 458 C N -0.170 119.138 119.300 0.013 0.000 2.409 458 C HA 0.000 4.461 4.460 0.001 0.000 0.284 458 C C 1.727 176.726 174.990 0.015 0.000 1.354 458 C CA 0.653 59.679 59.018 0.014 0.000 1.787 458 C CB -1.325 26.430 27.740 0.025 0.000 1.900 458 C HN 0.684 nan 8.230 nan 0.000 0.520 459 G N 0.812 109.621 108.800 0.015 0.000 2.160 459 G HA2 -0.204 3.756 3.960 0.001 0.000 0.244 459 G HA3 -0.204 3.756 3.960 0.001 0.000 0.244 459 G C -0.371 174.539 174.900 0.017 0.000 1.022 459 G CA 0.356 45.464 45.100 0.013 0.000 0.741 459 G HN 0.652 nan 8.290 nan 0.000 0.508 460 E N -0.479 119.734 120.200 0.022 0.000 2.369 460 E HA 0.435 4.786 4.350 0.001 0.000 0.270 460 E C -0.443 176.168 176.600 0.018 0.000 0.909 460 E CA -0.913 55.503 56.400 0.026 0.000 0.775 460 E CB 1.484 31.212 29.700 0.046 0.000 1.270 460 E HN 0.314 nan 8.360 nan 0.000 0.445 461 E N 2.333 122.537 120.200 0.007 0.000 2.166 461 E HA 0.039 4.390 4.350 0.001 0.000 0.279 461 E C -1.797 174.793 176.600 -0.016 0.000 1.095 461 E CA -1.476 54.921 56.400 -0.004 0.000 0.888 461 E CB 0.653 30.349 29.700 -0.007 0.000 1.041 461 E HN 0.227 nan 8.360 nan 0.000 0.414 462 P HA -0.198 nan 4.420 nan 0.000 0.217 462 P C 1.469 178.760 177.300 -0.015 0.000 1.150 462 P CA 1.067 64.161 63.100 -0.009 0.000 0.832 462 P CB 0.224 31.925 31.700 0.002 0.000 0.787 463 S N -0.610 115.083 115.700 -0.012 0.000 2.351 463 S HA -0.161 4.310 4.470 0.001 0.000 0.220 463 S C 2.030 176.620 174.600 -0.018 0.000 1.035 463 S CA 1.821 60.015 58.200 -0.010 0.000 1.031 463 S CB -1.853 61.343 63.200 -0.006 0.000 0.928 463 S HN -0.033 nan 8.310 nan 0.000 0.433 464 V N 1.861 121.759 119.914 -0.027 0.000 2.295 464 V HA -0.128 3.993 4.120 0.001 0.000 0.246 464 V C 2.706 178.764 176.094 -0.061 0.000 1.049 464 V CA 1.697 63.976 62.300 -0.035 0.000 1.024 464 V CB -0.921 30.881 31.823 -0.034 0.000 0.648 464 V HN 0.458 nan 8.190 nan 0.000 0.447 465 V N 0.260 120.104 119.914 -0.117 0.000 2.427 465 V HA -0.225 3.896 4.120 0.001 0.000 0.248 465 V C 2.684 178.738 176.094 -0.065 0.000 1.051 465 V CA 1.921 64.094 62.300 -0.211 0.000 1.048 465 V CB -1.082 30.569 31.823 -0.286 0.000 0.666 465 V HN 0.552 nan 8.190 nan 0.000 0.456 466 A N 0.381 123.187 122.820 -0.023 0.000 1.873 466 A HA -0.196 4.125 4.320 0.001 0.000 0.215 466 A C 2.027 179.629 177.584 0.029 0.000 1.186 466 A CA 1.899 53.944 52.037 0.013 0.000 0.616 466 A CB -0.564 18.442 19.000 0.009 0.000 0.823 466 A HN 0.601 nan 8.150 nan 0.000 0.442 467 N N -0.391 118.318 118.700 0.014 0.000 2.463 467 N HA -0.086 4.655 4.740 0.001 0.000 0.181 467 N C 1.750 177.271 175.510 0.019 0.000 1.078 467 N CA 1.510 54.569 53.050 0.015 0.000 0.902 467 N CB -0.182 38.306 38.487 0.002 0.000 0.970 467 N HN 0.745 nan 8.380 nan 0.000 0.451 468 T N -1.305 113.267 114.554 0.030 0.000 2.732 468 T HA -0.025 4.325 4.350 0.001 0.000 0.261 468 T C 2.185 176.968 174.700 0.138 0.000 1.040 468 T CA 0.787 62.906 62.100 0.032 0.000 1.145 468 T CB -0.769 68.097 68.868 -0.003 0.000 0.866 468 T HN -0.155 nan 8.240 nan 0.000 0.427 469 V N 2.106 122.152 119.914 0.220 0.000 2.407 469 V HA -0.142 3.978 4.120 0.001 0.000 0.248 469 V C 2.750 178.968 176.094 0.205 0.000 1.055 469 V CA 1.797 64.275 62.300 0.296 0.000 1.049 469 V CB -0.659 31.292 31.823 0.213 0.000 0.662 469 V HN 0.518 nan 8.190 nan 0.000 0.455 470 K N 0.074 120.541 120.400 0.112 0.000 2.211 470 K HA -0.055 4.266 4.320 0.001 0.000 0.203 470 K C 2.162 178.786 176.600 0.039 0.000 1.050 470 K CA 1.184 57.512 56.287 0.068 0.000 0.945 470 K CB -0.405 32.120 32.500 0.042 0.000 0.732 470 K HN 0.569 nan 8.250 nan 0.000 0.451 471 G N 1.088 109.903 108.800 0.024 0.000 2.430 471 G HA2 -0.051 3.910 3.960 0.001 0.000 0.216 471 G HA3 -0.051 3.910 3.960 0.001 0.000 0.216 471 G C 0.743 175.596 174.900 -0.078 0.000 1.146 471 G CA 0.400 45.484 45.100 -0.026 0.000 0.793 471 G HN 0.341 nan 8.290 nan 0.000 0.537 472 G N -0.601 108.141 108.800 -0.096 0.000 2.599 472 G HA2 0.472 4.433 3.960 0.001 0.000 0.264 472 G HA3 0.472 4.433 3.960 0.001 0.000 0.264 472 G C -0.987 173.881 174.900 -0.054 0.000 1.200 472 G CA -0.374 44.565 45.100 -0.268 0.000 0.896 472 G HN 0.152 nan 8.290 nan 0.000 0.536 473 D N -1.288 119.074 120.400 -0.064 0.000 2.477 473 D HA 0.542 5.183 4.640 0.001 0.000 0.234 473 D C 0.886 177.232 176.300 0.077 0.000 1.048 473 D CA 0.686 54.696 54.000 0.016 0.000 0.959 473 D CB 1.996 42.782 40.800 -0.023 0.000 1.408 473 D HN 0.821 nan 8.370 nan 0.000 0.496 474 G N 1.522 110.363 108.800 0.068 0.000 2.583 474 G HA2 -0.368 3.592 3.960 0.001 0.000 0.292 474 G HA3 -0.368 3.592 3.960 0.001 0.000 0.292 474 G C 0.598 175.559 174.900 0.102 0.000 1.203 474 G CA 0.617 45.760 45.100 0.071 0.000 0.987 474 G HN 0.571 nan 8.290 nan 0.000 0.554 475 N N -0.112 118.650 118.700 0.103 0.000 2.521 475 N HA 0.189 4.930 4.740 0.001 0.000 0.188 475 N C 0.610 176.207 175.510 0.145 0.000 1.146 475 N CA 0.499 53.608 53.050 0.099 0.000 0.893 475 N CB 0.033 38.562 38.487 0.070 0.000 0.975 475 N HN 0.518 nan 8.380 nan 0.000 0.451 476 Y N 0.951 121.283 120.300 0.053 0.000 2.526 476 Y HA 0.350 4.901 4.550 0.001 0.000 0.330 476 Y C 0.876 176.843 175.900 0.112 0.000 1.156 476 Y CA 0.312 58.461 58.100 0.082 0.000 1.419 476 Y CB 0.097 38.599 38.460 0.071 0.000 1.250 476 Y HN 0.024 nan 8.280 nan 0.000 0.540 477 G N 3.850 112.468 108.800 -0.304 0.000 2.619 477 G HA2 0.255 4.216 3.960 0.001 0.000 0.305 477 G HA3 0.255 4.216 3.960 0.001 0.000 0.305 477 G C -2.531 172.260 174.900 -0.182 0.000 1.330 477 G CA -0.908 44.096 45.100 -0.160 0.000 0.789 477 G HN 0.511 nan 8.290 nan 0.000 0.487 478 Y N 1.465 121.609 120.300 -0.261 0.000 2.328 478 Y HA 0.574 5.125 4.550 0.001 0.000 0.337 478 Y C -0.101 175.616 175.900 -0.304 0.000 0.966 478 Y CA -1.526 56.305 58.100 -0.448 0.000 1.136 478 Y CB 1.623 39.800 38.460 -0.470 0.000 1.170 478 Y HN 0.423 nan 8.280 nan 0.000 0.470 479 N N 4.773 123.061 118.700 -0.687 0.000 2.448 479 N HA 0.147 4.887 4.740 0.001 0.000 0.250 479 N C 0.485 175.450 175.510 -0.908 0.000 1.136 479 N CA 0.578 53.276 53.050 -0.588 0.000 0.953 479 N CB 1.188 39.443 38.487 -0.386 0.000 1.251 479 N HN 0.887 nan 8.380 nan 0.000 0.502 480 A N 3.331 125.763 122.820 -0.646 0.000 2.121 480 A HA 0.004 4.324 4.320 0.001 0.000 0.218 480 A C 1.920 179.335 177.584 -0.283 0.000 1.154 480 A CA 1.480 53.244 52.037 -0.456 0.000 0.679 480 A CB -0.218 18.720 19.000 -0.102 0.000 0.795 480 A HN 0.687 nan 8.150 nan 0.000 0.458 481 A N -0.433 122.238 122.820 -0.249 0.000 1.903 481 A HA 0.030 4.351 4.320 0.001 0.000 0.213 481 A C 2.334 179.823 177.584 -0.158 0.000 1.185 481 A CA 1.951 53.893 52.037 -0.159 0.000 0.628 481 A CB -0.896 18.030 19.000 -0.123 0.000 0.830 481 A HN 0.653 nan 8.150 nan 0.000 0.446 482 T N -3.326 111.103 114.554 -0.208 0.000 3.054 482 T HA 0.151 4.501 4.350 0.001 0.000 0.259 482 T C 0.396 174.979 174.700 -0.196 0.000 1.092 482 T CA 0.874 62.870 62.100 -0.173 0.000 1.121 482 T CB -0.264 68.509 68.868 -0.159 0.000 0.912 482 T HN 0.578 nan 8.240 nan 0.000 0.489 483 E N 1.244 121.235 120.200 -0.348 0.000 2.702 483 E HA -0.130 4.221 4.350 0.001 0.000 0.292 483 E C -0.312 176.130 176.600 -0.263 0.000 0.987 483 E CA 0.645 56.853 56.400 -0.321 0.000 0.887 483 E CB -1.706 27.969 29.700 -0.041 0.000 1.417 483 E HN 0.964 nan 8.360 nan 0.000 0.403 484 E N -1.131 118.741 120.200 -0.546 0.000 2.437 484 E HA 0.549 4.900 4.350 0.001 0.000 0.280 484 E C -1.045 175.327 176.600 -0.380 0.000 1.044 484 E CA -0.998 55.269 56.400 -0.222 0.000 0.826 484 E CB 0.948 30.640 29.700 -0.014 0.000 1.358 484 E HN 0.023 nan 8.360 nan 0.000 0.459 485 Y N -0.464 119.850 120.300 0.024 0.000 2.419 485 Y HA 0.769 5.320 4.550 0.001 0.000 0.328 485 Y C 0.846 176.671 175.900 -0.125 0.000 1.162 485 Y CA 0.494 58.548 58.100 -0.076 0.000 1.174 485 Y CB 2.269 40.692 38.460 -0.062 0.000 1.228 485 Y HN 0.860 nan 8.280 nan 0.000 0.473 486 G N 0.667 109.410 108.800 -0.094 0.000 2.341 486 G HA2 0.038 3.999 3.960 0.001 0.000 0.299 486 G HA3 0.038 3.999 3.960 0.001 0.000 0.299 486 G C -1.867 173.006 174.900 -0.045 0.000 1.274 486 G CA -1.171 43.915 45.100 -0.024 0.000 0.853 486 G HN 0.475 nan 8.290 nan 0.000 0.493 487 N N 0.922 119.638 118.700 0.026 0.000 2.442 487 N HA 0.098 4.839 4.740 0.001 0.000 0.265 487 N C 1.705 177.212 175.510 -0.004 0.000 1.138 487 N CA -0.425 52.646 53.050 0.035 0.000 0.956 487 N CB 0.916 39.434 38.487 0.053 0.000 1.067 487 N HN 0.358 nan 8.380 nan 0.000 0.474 488 M N 3.429 123.026 119.600 -0.006 0.000 2.213 488 M HA -0.143 4.338 4.480 0.001 0.000 0.263 488 M C 1.430 177.722 176.300 -0.014 0.000 1.062 488 M CA 0.997 56.284 55.300 -0.020 0.000 1.105 488 M CB -0.407 32.188 32.600 -0.008 0.000 1.385 488 M HN 0.551 nan 8.290 nan 0.000 0.417 489 I N 0.186 120.756 120.570 0.000 0.000 2.333 489 I HA -0.179 3.992 4.170 0.001 0.000 0.246 489 I C 1.616 177.730 176.117 -0.004 0.000 1.106 489 I CA 1.332 62.632 61.300 0.000 0.000 1.411 489 I CB -1.677 36.328 38.000 0.008 0.000 1.082 489 I HN 0.210 nan 8.210 nan 0.000 0.420 490 D N 0.939 121.338 120.400 -0.002 0.000 2.144 490 D HA -0.152 4.489 4.640 0.001 0.000 0.199 490 D C 2.158 178.448 176.300 -0.016 0.000 0.984 490 D CA 1.082 55.079 54.000 -0.005 0.000 0.834 490 D CB -0.144 40.657 40.800 0.002 0.000 0.955 490 D HN 0.253 nan 8.370 nan 0.000 0.465 491 M N -0.484 119.100 119.600 -0.025 0.000 2.659 491 M HA 0.120 4.601 4.480 0.001 0.000 0.243 491 M C 1.208 177.485 176.300 -0.040 0.000 1.111 491 M CA 0.613 55.888 55.300 -0.041 0.000 1.070 491 M CB 0.234 32.796 32.600 -0.064 0.000 1.525 491 M HN 0.196 nan 8.290 nan 0.000 0.517 492 G N 1.853 110.636 108.800 -0.028 0.000 2.155 492 G HA2 -0.255 3.705 3.960 0.001 0.000 0.257 492 G HA3 -0.255 3.705 3.960 0.001 0.000 0.257 492 G C 0.120 175.004 174.900 -0.027 0.000 0.983 492 G CA -0.183 44.903 45.100 -0.024 0.000 0.676 492 G HN 0.546 nan 8.290 nan 0.000 0.528 493 I N 1.405 121.957 120.570 -0.031 0.000 2.260 493 I HA 0.367 4.538 4.170 0.001 0.000 0.297 493 I C 0.625 176.731 176.117 -0.018 0.000 1.143 493 I CA -0.124 61.157 61.300 -0.031 0.000 1.271 493 I CB 0.127 38.100 38.000 -0.045 0.000 1.461 493 I HN -0.003 nan 8.210 nan 0.000 0.530 494 L N 4.772 125.987 121.223 -0.014 0.000 2.334 494 L HA 0.503 4.843 4.340 0.001 0.000 0.273 494 L C -0.641 176.225 176.870 -0.007 0.000 1.013 494 L CA -0.801 54.034 54.840 -0.008 0.000 0.816 494 L CB 1.985 44.039 42.059 -0.007 0.000 1.278 494 L HN 0.333 nan 8.230 nan 0.000 0.431 495 D N 3.262 123.659 120.400 -0.005 0.000 2.329 495 D HA 0.278 4.918 4.640 0.001 0.000 0.232 495 D C -2.380 173.917 176.300 -0.006 0.000 1.088 495 D CA -1.155 52.841 54.000 -0.005 0.000 0.835 495 D CB 1.408 42.205 40.800 -0.005 0.000 1.078 495 D HN 0.136 nan 8.370 nan 0.000 0.495 496 P HA 0.056 nan 4.420 nan 0.000 0.275 496 P C 0.702 177.997 177.300 -0.009 0.000 1.276 496 P CA -0.235 62.862 63.100 -0.005 0.000 0.782 496 P CB 1.089 32.788 31.700 -0.002 0.000 0.851 497 T N 3.052 117.600 114.554 -0.009 0.000 2.624 497 T HA -0.245 4.106 4.350 0.001 0.000 0.268 497 T C 1.649 176.336 174.700 -0.023 0.000 1.041 497 T CA 1.858 63.950 62.100 -0.014 0.000 1.159 497 T CB -0.364 68.499 68.868 -0.010 0.000 0.863 497 T HN 0.476 nan 8.240 nan 0.000 0.434 498 K N 0.787 121.177 120.400 -0.017 0.000 2.113 498 K HA -0.142 4.179 4.320 0.001 0.000 0.208 498 K C 2.399 178.974 176.600 -0.041 0.000 1.047 498 K CA 1.714 57.987 56.287 -0.023 0.000 0.928 498 K CB -0.336 32.163 32.500 -0.002 0.000 0.716 498 K HN 0.394 nan 8.250 nan 0.000 0.446 499 V N -1.390 118.507 119.914 -0.028 0.000 2.379 499 V HA -0.135 3.986 4.120 0.001 0.000 0.245 499 V C 1.803 177.862 176.094 -0.058 0.000 1.044 499 V CA 2.150 64.432 62.300 -0.029 0.000 1.036 499 V CB -0.789 31.031 31.823 -0.005 0.000 0.664 499 V HN 0.266 nan 8.190 nan 0.000 0.453 500 T N 0.311 114.834 114.554 -0.051 0.000 2.812 500 T HA -0.052 4.298 4.350 0.001 0.000 0.264 500 T C 2.079 176.724 174.700 -0.092 0.000 1.042 500 T CA 1.495 63.560 62.100 -0.058 0.000 1.140 500 T CB -0.408 68.439 68.868 -0.034 0.000 0.870 500 T HN 0.421 nan 8.240 nan 0.000 0.445 501 R N 1.555 121.999 120.500 -0.093 0.000 2.094 501 R HA -0.094 4.246 4.340 0.001 0.000 0.239 501 R C 2.429 178.594 176.300 -0.226 0.000 1.137 501 R CA 2.036 58.066 56.100 -0.117 0.000 0.943 501 R CB -0.915 29.336 30.300 -0.081 0.000 0.850 501 R HN 0.337 nan 8.270 nan 0.000 0.433 502 S N 0.609 116.128 115.700 -0.302 0.000 2.355 502 S HA -0.071 4.399 4.470 0.001 0.000 0.222 502 S C 2.101 176.185 174.600 -0.860 0.000 1.031 502 S CA 1.186 58.974 58.200 -0.687 0.000 0.993 502 S CB -0.384 62.550 63.200 -0.443 0.000 0.859 502 S HN 0.564 nan 8.310 nan 0.000 0.453 503 A N 2.019 124.615 122.820 -0.372 0.000 1.908 503 A HA -0.052 4.268 4.320 0.001 0.000 0.218 503 A C 2.103 179.600 177.584 -0.145 0.000 1.181 503 A CA 1.215 53.145 52.037 -0.180 0.000 0.627 503 A CB -0.762 18.197 19.000 -0.068 0.000 0.818 503 A HN 0.433 nan 8.150 nan 0.000 0.445 504 L N -0.303 120.830 121.223 -0.149 0.000 2.027 504 L HA -0.197 4.144 4.340 0.001 0.000 0.206 504 L C 2.431 179.245 176.870 -0.093 0.000 1.074 504 L CA 2.369 57.154 54.840 -0.091 0.000 0.745 504 L CB -1.270 40.745 42.059 -0.073 0.000 0.898 504 L HN 0.538 nan 8.230 nan 0.000 0.433 505 Q N -1.068 118.627 119.800 -0.175 0.000 2.061 505 Q HA -0.244 4.097 4.340 0.001 0.000 0.204 505 Q C 2.089 178.113 176.000 0.041 0.000 0.984 505 Q CA 1.998 57.739 55.803 -0.103 0.000 0.846 505 Q CB -0.244 28.396 28.738 -0.163 0.000 0.902 505 Q HN 0.517 nan 8.270 nan 0.000 0.421 506 Y N -0.090 120.213 120.300 0.004 0.000 2.200 506 Y HA -0.088 4.463 4.550 0.001 0.000 0.290 506 Y C 2.384 178.286 175.900 0.004 0.000 1.137 506 Y CA 0.503 58.605 58.100 0.003 0.000 1.163 506 Y CB -1.266 37.195 38.460 0.003 0.000 0.988 506 Y HN 0.111 nan 8.280 nan 0.000 0.518 507 A N 0.516 123.413 122.820 0.128 0.000 1.873 507 A HA -0.177 4.144 4.320 0.001 0.000 0.218 507 A C 2.553 180.170 177.584 0.055 0.000 1.193 507 A CA 2.547 54.626 52.037 0.071 0.000 0.629 507 A CB -1.274 17.747 19.000 0.036 0.000 0.826 507 A HN 0.393 nan 8.150 nan 0.000 0.447 508 A N -1.265 121.581 122.820 0.043 0.000 1.930 508 A HA -0.049 4.272 4.320 0.001 0.000 0.217 508 A C 2.473 180.084 177.584 0.045 0.000 1.175 508 A CA 2.080 54.138 52.037 0.034 0.000 0.627 508 A CB -0.878 18.134 19.000 0.020 0.000 0.815 508 A HN 0.567 nan 8.150 nan 0.000 0.443 509 S N -0.745 114.996 115.700 0.069 0.000 2.383 509 S HA -0.104 4.366 4.470 0.001 0.000 0.227 509 S C 1.892 176.524 174.600 0.053 0.000 1.026 509 S CA 1.537 59.779 58.200 0.069 0.000 0.981 509 S CB -0.387 62.877 63.200 0.106 0.000 0.818 509 S HN 0.279 nan 8.310 nan 0.000 0.472 510 V N 1.821 121.769 119.914 0.058 0.000 2.283 510 V HA -0.056 4.065 4.120 0.001 0.000 0.243 510 V C 2.851 178.963 176.094 0.030 0.000 1.039 510 V CA 1.717 64.041 62.300 0.039 0.000 1.016 510 V CB -1.256 30.592 31.823 0.042 0.000 0.650 510 V HN 0.588 nan 8.190 nan 0.000 0.449 511 A N 0.478 123.318 122.820 0.032 0.000 1.902 511 A HA -0.087 4.234 4.320 0.001 0.000 0.217 511 A C 2.349 179.946 177.584 0.022 0.000 1.181 511 A CA 1.887 53.940 52.037 0.025 0.000 0.623 511 A CB -1.202 17.812 19.000 0.025 0.000 0.818 511 A HN 0.548 nan 8.150 nan 0.000 0.443 512 G N -0.802 108.013 108.800 0.024 0.000 2.509 512 G HA2 0.021 3.981 3.960 0.001 0.000 0.218 512 G HA3 0.021 3.981 3.960 0.001 0.000 0.218 512 G C 1.435 176.346 174.900 0.019 0.000 1.124 512 G CA 0.847 45.960 45.100 0.021 0.000 0.776 512 G HN 0.432 nan 8.290 nan 0.000 0.547 513 L N -0.656 120.578 121.223 0.019 0.000 2.145 513 L HA 0.204 4.545 4.340 0.001 0.000 0.201 513 L C 2.770 179.649 176.870 0.014 0.000 1.075 513 L CA 0.481 55.331 54.840 0.016 0.000 0.773 513 L CB -0.314 41.754 42.059 0.013 0.000 0.936 513 L HN 0.189 nan 8.230 nan 0.000 0.451 514 M N 0.910 120.519 119.600 0.015 0.000 2.202 514 M HA -0.215 4.266 4.480 0.001 0.000 0.262 514 M C 2.259 178.569 176.300 0.016 0.000 1.063 514 M CA 1.803 57.111 55.300 0.015 0.000 1.097 514 M CB -0.199 32.410 32.600 0.016 0.000 1.382 514 M HN 0.327 nan 8.290 nan 0.000 0.413 515 I N -1.829 118.751 120.570 0.017 0.000 2.657 515 I HA -0.173 3.998 4.170 0.001 0.000 0.261 515 I C 1.797 177.925 176.117 0.018 0.000 1.212 515 I CA 1.623 62.934 61.300 0.017 0.000 1.453 515 I CB -1.291 36.718 38.000 0.016 0.000 1.092 515 I HN 0.328 nan 8.210 nan 0.000 0.452 516 T N -2.191 112.373 114.554 0.017 0.000 3.129 516 T HA 0.086 4.437 4.350 0.001 0.000 0.251 516 T C 0.834 175.545 174.700 0.019 0.000 1.117 516 T CA 0.022 62.134 62.100 0.019 0.000 1.034 516 T CB -0.921 67.957 68.868 0.017 0.000 0.968 516 T HN 0.305 nan 8.240 nan 0.000 0.526 517 T N 3.206 117.770 114.554 0.016 0.000 2.961 517 T HA 0.195 4.545 4.350 0.001 0.000 0.270 517 T C 0.768 175.479 174.700 0.017 0.000 0.926 517 T CA -0.095 62.011 62.100 0.010 0.000 1.112 517 T CB 0.677 69.550 68.868 0.009 0.000 0.926 517 T HN 0.304 nan 8.240 nan 0.000 0.612 518 E N 1.304 121.519 120.200 0.025 0.000 2.472 518 E HA 0.162 4.512 4.350 0.001 0.000 0.196 518 E C 0.115 176.726 176.600 0.019 0.000 1.033 518 E CA -0.112 56.325 56.400 0.062 0.000 0.886 518 E CB 0.207 29.972 29.700 0.107 0.000 0.944 518 E HN 0.626 nan 8.360 nan 0.000 0.492 519 C N -0.293 118.937 119.300 -0.115 0.000 3.170 519 C HA 0.711 5.172 4.460 0.001 0.000 0.319 519 C C -1.600 173.268 174.990 -0.203 0.000 1.260 519 C CA -0.768 58.029 59.018 -0.369 0.000 1.374 519 C CB 0.679 27.945 27.740 -0.789 0.000 1.739 519 C HN 0.304 nan 8.230 nan 0.000 0.479 520 M N 3.787 123.289 119.600 -0.164 0.000 2.501 520 M HA 0.716 5.197 4.480 0.001 0.000 0.293 520 M C -1.311 175.041 176.300 0.086 0.000 1.192 520 M CA -0.598 54.719 55.300 0.027 0.000 0.886 520 M CB 2.248 34.986 32.600 0.231 0.000 1.710 520 M HN 0.380 nan 8.290 nan 0.000 0.457 521 V N 0.300 120.218 119.914 0.007 0.000 2.888 521 V HA 0.859 4.979 4.120 0.001 0.000 0.309 521 V C -0.714 175.285 176.094 -0.159 0.000 1.114 521 V CA -0.499 61.779 62.300 -0.036 0.000 0.940 521 V CB 2.349 34.141 31.823 -0.052 0.000 1.021 521 V HN 0.948 nan 8.190 nan 0.000 0.426 522 T N 1.540 115.986 114.554 -0.179 0.000 2.840 522 T HA 0.409 4.760 4.350 0.001 0.000 0.317 522 T C -1.625 172.995 174.700 -0.134 0.000 1.401 522 T CA -0.512 61.444 62.100 -0.239 0.000 1.028 522 T CB 1.816 70.382 68.868 -0.503 0.000 1.317 522 T HN 0.740 nan 8.240 nan 0.000 0.495 523 D N 1.743 122.077 120.400 -0.111 0.000 2.362 523 D HA 0.400 5.041 4.640 0.001 0.000 0.242 523 D C 0.150 176.405 176.300 -0.074 0.000 1.132 523 D CA -0.077 53.882 54.000 -0.069 0.000 0.907 523 D CB 0.523 41.290 40.800 -0.054 0.000 1.195 523 D HN 0.385 nan 8.370 nan 0.000 0.429 524 L N 2.012 123.214 121.223 -0.036 0.000 2.410 524 L HA 0.557 4.898 4.340 0.001 0.000 0.273 524 L C -1.604 175.253 176.870 -0.022 0.000 1.152 524 L CA -0.170 54.660 54.840 -0.017 0.000 0.855 524 L CB -0.106 41.957 42.059 0.006 0.000 1.129 524 L HN 0.470 nan 8.230 nan 0.000 0.463 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 nan 63.100 nan 0.000 0.800 525 P CB 0.000 nan 31.700 nan 0.000 0.726