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 2c7c_1_L 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 0.000 177.581 177.584 -0.005 0.000 1.274 3 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 3 A CB 0.000 19.001 19.000 0.001 0.000 0.831 4 K N 1.164 121.564 120.400 0.000 0.000 2.118 4 K HA 0.502 4.823 4.320 0.000 0.000 0.264 4 K C -0.594 176.026 176.600 0.033 0.000 1.000 4 K CA -0.444 55.841 56.287 -0.003 0.000 0.929 4 K CB 1.488 33.985 32.500 -0.005 0.000 1.021 4 K HN 0.739 nan 8.250 nan 0.000 0.463 5 D N 0.502 120.937 120.400 0.058 0.000 2.229 5 D HA 0.458 5.099 4.640 0.000 0.000 0.249 5 D C -1.187 175.246 176.300 0.221 0.000 1.027 5 D CA -0.662 53.439 54.000 0.168 0.000 0.923 5 D CB 1.232 42.207 40.800 0.292 0.000 1.174 5 D HN 0.059 nan 8.370 nan 0.000 0.443 6 V N 2.731 122.760 119.914 0.192 0.000 2.777 6 V HA 0.453 4.573 4.120 0.000 0.000 0.306 6 V C -0.447 175.514 176.094 -0.221 0.000 1.112 6 V CA -0.833 61.467 62.300 -0.001 0.000 0.917 6 V CB 2.074 33.833 31.823 -0.106 0.000 1.018 6 V HN 0.504 nan 8.190 nan 0.000 0.426 7 K N 3.524 123.678 120.400 -0.411 0.000 2.508 7 K HA 0.800 5.120 4.320 0.000 0.000 0.260 7 K C -1.737 174.515 176.600 -0.581 0.000 0.949 7 K CA -0.604 55.386 56.287 -0.496 0.000 0.834 7 K CB 2.927 35.089 32.500 -0.563 0.000 1.365 7 K HN 0.448 nan 8.250 nan 0.000 0.437 8 F N -0.501 119.430 119.950 -0.031 0.000 2.640 8 F HA 0.499 5.026 4.527 -0.000 0.000 0.324 8 F C 1.254 177.045 175.800 -0.015 0.000 1.077 8 F CA 0.137 58.133 58.000 -0.006 0.000 0.965 8 F CB 1.821 40.819 39.000 -0.005 0.000 1.351 8 F HN 0.799 nan 8.300 nan 0.000 0.487 9 G N 1.646 110.576 108.800 0.217 0.000 2.620 9 G HA2 -0.510 3.450 3.960 0.000 0.000 0.315 9 G HA3 -0.510 3.450 3.960 0.000 0.000 0.315 9 G C 0.971 175.911 174.900 0.067 0.000 1.179 9 G CA 1.239 46.410 45.100 0.119 0.000 0.971 9 G HN 0.897 nan 8.290 nan 0.000 0.544 10 N N 1.021 119.750 118.700 0.048 0.000 2.039 10 N HA -0.064 4.677 4.740 0.000 0.000 0.193 10 N C 1.804 177.320 175.510 0.009 0.000 1.044 10 N CA 2.542 55.606 53.050 0.023 0.000 0.847 10 N CB -0.362 38.134 38.487 0.015 0.000 1.030 10 N HN 0.532 nan 8.380 nan 0.000 0.422 11 D N 0.068 120.467 120.400 -0.002 0.000 2.149 11 D HA -0.101 4.539 4.640 0.000 0.000 0.198 11 D C 1.888 178.143 176.300 -0.075 0.000 0.990 11 D CA 1.339 55.307 54.000 -0.053 0.000 0.839 11 D CB -0.726 40.026 40.800 -0.080 0.000 0.948 11 D HN 0.485 nan 8.370 nan 0.000 0.460 12 A N 0.970 123.765 122.820 -0.042 0.000 1.851 12 A HA -0.231 4.089 4.320 0.000 0.000 0.216 12 A C 2.202 179.794 177.584 0.014 0.000 1.195 12 A CA 1.754 53.784 52.037 -0.012 0.000 0.622 12 A CB -0.601 18.408 19.000 0.015 0.000 0.831 12 A HN 0.107 nan 8.150 nan 0.000 0.444 13 R N -0.935 119.577 120.500 0.019 0.000 2.096 13 R HA -0.056 4.284 4.340 0.000 0.000 0.235 13 R C 2.034 178.342 176.300 0.013 0.000 1.127 13 R CA 1.288 57.401 56.100 0.021 0.000 0.968 13 R CB -0.454 29.860 30.300 0.023 0.000 0.861 13 R HN 0.400 nan 8.270 nan 0.000 0.440 14 V N 1.335 121.250 119.914 0.002 0.000 2.343 14 V HA -0.251 3.869 4.120 0.000 0.000 0.247 14 V C 2.206 178.300 176.094 -0.000 0.000 1.051 14 V CA 1.617 63.916 62.300 -0.003 0.000 1.036 14 V CB -0.320 31.494 31.823 -0.015 0.000 0.654 14 V HN 0.229 nan 8.190 nan 0.000 0.451 15 K N -0.499 119.898 120.400 -0.004 0.000 2.057 15 K HA -0.034 4.286 4.320 0.000 0.000 0.206 15 K C 2.110 178.739 176.600 0.049 0.000 1.050 15 K CA 1.405 57.706 56.287 0.025 0.000 0.935 15 K CB -0.411 32.108 32.500 0.031 0.000 0.715 15 K HN 0.431 nan 8.250 nan 0.000 0.439 16 M N 0.379 120.006 119.600 0.046 0.000 2.159 16 M HA -0.185 4.296 4.480 0.000 0.000 0.263 16 M C 2.210 178.527 176.300 0.029 0.000 1.063 16 M CA 1.077 56.401 55.300 0.041 0.000 1.110 16 M CB -0.377 32.246 32.600 0.037 0.000 1.374 16 M HN 0.021 nan 8.290 nan 0.000 0.411 17 L N 0.666 121.902 121.223 0.022 0.000 1.989 17 L HA -0.201 4.140 4.340 0.000 0.000 0.211 17 L C 2.456 179.336 176.870 0.017 0.000 1.071 17 L CA 1.965 56.815 54.840 0.017 0.000 0.749 17 L CB -0.567 41.500 42.059 0.013 0.000 0.890 17 L HN 0.159 nan 8.230 nan 0.000 0.431 18 R N -0.762 119.748 120.500 0.018 0.000 2.091 18 R HA -0.145 4.195 4.340 0.000 0.000 0.238 18 R C 2.194 178.506 176.300 0.020 0.000 1.136 18 R CA 1.248 57.358 56.100 0.018 0.000 0.959 18 R CB -1.049 29.263 30.300 0.019 0.000 0.856 18 R HN 0.607 nan 8.270 nan 0.000 0.437 19 G N 0.371 109.187 108.800 0.026 0.000 2.446 19 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 19 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 19 G C 1.410 176.321 174.900 0.017 0.000 1.168 19 G CA 0.801 45.916 45.100 0.025 0.000 0.771 19 G HN 0.269 nan 8.290 nan 0.000 0.551 20 V N 1.050 120.974 119.914 0.017 0.000 2.358 20 V HA -0.172 3.948 4.120 0.000 0.000 0.246 20 V C 2.395 178.497 176.094 0.012 0.000 1.047 20 V CA 2.660 64.969 62.300 0.014 0.000 1.035 20 V CB -0.625 31.207 31.823 0.016 0.000 0.658 20 V HN 0.508 nan 8.190 nan 0.000 0.452 21 N N -0.411 118.297 118.700 0.013 0.000 2.106 21 N HA -0.142 4.598 4.740 0.000 0.000 0.188 21 N C 1.702 177.218 175.510 0.009 0.000 1.029 21 N CA 1.534 54.590 53.050 0.011 0.000 0.848 21 N CB -0.206 38.287 38.487 0.011 0.000 1.007 21 N HN 0.395 nan 8.380 nan 0.000 0.423 22 V N 1.835 121.755 119.914 0.010 0.000 2.594 22 V HA -0.153 3.967 4.120 0.000 0.000 0.253 22 V C 2.057 178.154 176.094 0.006 0.000 1.069 22 V CA 1.064 63.368 62.300 0.008 0.000 1.082 22 V CB -0.496 31.332 31.823 0.009 0.000 0.680 22 V HN 0.399 nan 8.190 nan 0.000 0.469 23 L N 0.595 121.821 121.223 0.006 0.000 2.013 23 L HA 0.025 4.365 4.340 0.000 0.000 0.204 23 L C 2.456 179.329 176.870 0.004 0.000 1.081 23 L CA 2.615 57.458 54.840 0.003 0.000 0.751 23 L CB -1.196 40.864 42.059 0.003 0.000 0.901 23 L HN 0.289 nan 8.230 nan 0.000 0.440 24 A N -0.632 122.192 122.820 0.006 0.000 1.897 24 A HA -0.225 4.095 4.320 0.000 0.000 0.215 24 A C 1.927 179.515 177.584 0.007 0.000 1.181 24 A CA 1.598 53.639 52.037 0.007 0.000 0.620 24 A CB -0.753 18.253 19.000 0.010 0.000 0.821 24 A HN 0.555 nan 8.150 nan 0.000 0.443 25 D N -0.733 119.671 120.400 0.008 0.000 2.312 25 D HA 0.146 4.786 4.640 0.000 0.000 0.211 25 D C 1.853 178.157 176.300 0.007 0.000 0.964 25 D CA 0.959 54.964 54.000 0.008 0.000 0.877 25 D CB 0.023 40.828 40.800 0.008 0.000 0.924 25 D HN 0.393 nan 8.370 nan 0.000 0.515 26 A N -0.396 122.428 122.820 0.006 0.000 1.832 26 A HA -0.033 4.287 4.320 0.000 0.000 0.214 26 A C 2.183 179.770 177.584 0.004 0.000 1.242 26 A CA 0.798 52.837 52.037 0.005 0.000 0.603 26 A CB -1.000 18.002 19.000 0.004 0.000 0.902 26 A HN 0.146 nan 8.150 nan 0.000 0.455 27 V N 1.928 121.845 119.914 0.004 0.000 3.078 27 V HA -0.214 3.907 4.120 0.000 0.000 0.265 27 V C 2.433 178.530 176.094 0.004 0.000 1.122 27 V CA 2.346 64.647 62.300 0.003 0.000 1.141 27 V CB -1.004 30.819 31.823 0.001 0.000 0.735 27 V HN 0.792 nan 8.190 nan 0.000 0.498 28 K N 0.583 120.986 120.400 0.006 0.000 2.218 28 K HA -0.173 4.147 4.320 0.000 0.000 0.205 28 K C 1.724 178.329 176.600 0.008 0.000 1.046 28 K CA 2.070 58.362 56.287 0.008 0.000 0.933 28 K CB -1.056 31.450 32.500 0.010 0.000 0.728 28 K HN 0.543 nan 8.250 nan 0.000 0.454 29 V N 0.213 120.131 119.914 0.007 0.000 3.078 29 V HA -0.150 3.970 4.120 0.000 0.000 0.265 29 V C 2.193 178.290 176.094 0.006 0.000 1.122 29 V CA 1.836 64.141 62.300 0.007 0.000 1.141 29 V CB -1.161 30.666 31.823 0.006 0.000 0.735 29 V HN 0.586 nan 8.190 nan 0.000 0.498 30 T N -2.684 111.872 114.554 0.004 0.000 3.081 30 T HA 0.103 4.454 4.350 0.000 0.000 0.255 30 T C 1.605 176.306 174.700 0.002 0.000 1.113 30 T CA 0.912 63.013 62.100 0.002 0.000 1.082 30 T CB 0.009 68.877 68.868 0.000 0.000 0.939 30 T HN 0.407 nan 8.240 nan 0.000 0.506 31 L N 1.947 123.173 121.223 0.005 0.000 2.376 31 L HA 0.418 4.758 4.340 0.000 0.000 0.219 31 L C 1.245 178.117 176.870 0.004 0.000 1.133 31 L CA 0.370 55.213 54.840 0.005 0.000 0.816 31 L CB -0.778 41.287 42.059 0.010 0.000 0.933 31 L HN 0.413 nan 8.230 nan 0.000 0.449 32 G N -0.991 107.812 108.800 0.005 0.000 2.377 32 G HA2 0.406 4.367 3.960 0.000 0.000 0.299 32 G HA3 0.406 4.367 3.960 0.000 0.000 0.299 32 G C -1.838 173.056 174.900 -0.010 0.000 1.150 32 G CA -0.697 44.405 45.100 0.003 0.000 0.847 32 G HN 0.099 nan 8.290 nan 0.000 0.501 33 P HA -0.015 nan 4.420 nan 0.000 0.222 33 P C 0.634 177.918 177.300 -0.027 0.000 1.153 33 P CA 0.731 63.810 63.100 -0.035 0.000 0.798 33 P CB 0.413 32.077 31.700 -0.060 0.000 0.796 34 K N 1.216 121.603 120.400 -0.020 0.000 3.000 34 K HA 0.263 4.583 4.320 0.000 0.000 0.265 34 K C 0.949 177.547 176.600 -0.002 0.000 1.260 34 K CA -0.384 55.897 56.287 -0.009 0.000 1.209 34 K CB -0.436 32.063 32.500 -0.002 0.000 1.484 34 K HN 0.091 nan 8.250 nan 0.000 0.283 35 G N 1.101 109.898 108.800 -0.005 0.000 2.444 35 G HA2 0.173 4.133 3.960 0.000 0.000 0.268 35 G HA3 0.173 4.133 3.960 0.000 0.000 0.268 35 G C -0.118 174.782 174.900 0.000 0.000 1.203 35 G CA -0.730 44.368 45.100 -0.002 0.000 0.835 35 G HN 0.250 nan 8.290 nan 0.000 0.543 36 R N 1.100 121.601 120.500 0.002 0.000 2.457 36 R HA 0.243 4.583 4.340 0.000 0.000 0.284 36 R C 0.265 176.566 176.300 0.002 0.000 1.024 36 R CA -0.711 55.391 56.100 0.003 0.000 1.025 36 R CB 0.584 30.887 30.300 0.005 0.000 1.063 36 R HN 0.642 nan 8.270 nan 0.000 0.493 37 N N 0.552 119.253 118.700 0.002 0.000 2.493 37 N HA 0.327 5.067 4.740 0.000 0.000 0.275 37 N C -0.495 175.016 175.510 0.002 0.000 1.186 37 N CA -0.460 52.591 53.050 0.002 0.000 0.978 37 N CB 1.350 39.838 38.487 0.002 0.000 1.184 37 N HN 0.097 nan 8.380 nan 0.000 0.487 38 V N 0.887 120.802 119.914 0.002 0.000 2.709 38 V HA 0.246 4.366 4.120 0.000 0.000 0.308 38 V C -0.116 175.979 176.094 0.002 0.000 1.062 38 V CA -0.929 61.372 62.300 0.002 0.000 0.901 38 V CB 2.144 33.968 31.823 0.001 0.000 1.003 38 V HN 0.356 nan 8.190 nan 0.000 0.425 39 V N 5.720 125.635 119.914 0.002 0.000 2.364 39 V HA 0.440 4.560 4.120 0.000 0.000 0.272 39 V C -0.248 175.847 176.094 0.002 0.000 1.036 39 V CA -0.367 61.935 62.300 0.002 0.000 0.880 39 V CB 1.177 33.001 31.823 0.002 0.000 0.991 39 V HN 0.494 nan 8.190 nan 0.000 0.460 40 L N 3.554 124.779 121.223 0.004 0.000 2.346 40 L HA 0.600 4.941 4.340 0.000 0.000 0.274 40 L C 0.298 177.171 176.870 0.006 0.000 1.007 40 L CA -0.145 54.697 54.840 0.005 0.000 0.818 40 L CB 2.009 44.072 42.059 0.006 0.000 1.284 40 L HN 0.604 nan 8.230 nan 0.000 0.424 41 D N 1.507 121.910 120.400 0.005 0.000 2.360 41 D HA 0.352 4.993 4.640 0.000 0.000 0.289 41 D C -0.435 175.874 176.300 0.015 0.000 1.183 41 D CA -0.095 53.909 54.000 0.006 0.000 1.082 41 D CB 1.086 41.885 40.800 -0.002 0.000 1.146 41 D HN 0.367 nan 8.370 nan 0.000 0.545 42 K N -1.542 118.868 120.400 0.017 0.000 2.562 42 K HA 0.233 4.553 4.320 0.000 0.000 0.267 42 K C 0.193 176.806 176.600 0.022 0.000 0.938 42 K CA -0.390 55.920 56.287 0.040 0.000 0.840 42 K CB 1.402 33.941 32.500 0.064 0.000 1.390 42 K HN 0.059 nan 8.250 nan 0.000 0.428 43 S N 1.439 117.163 115.700 0.041 0.000 2.515 43 S HA 0.092 4.562 4.470 0.000 0.000 0.231 43 S C -0.314 174.091 174.600 -0.325 0.000 0.987 43 S CA 0.660 58.802 58.200 -0.096 0.000 0.936 43 S CB -0.221 62.957 63.200 -0.037 0.000 0.766 43 S HN 0.332 nan 8.310 nan 0.000 0.528 44 F N -0.355 119.594 119.950 -0.002 0.000 2.561 44 F HA 0.585 5.113 4.527 0.001 0.000 0.313 44 F C 1.059 176.858 175.800 -0.001 0.000 1.126 44 F CA -0.260 57.739 58.000 -0.001 0.000 0.918 44 F CB 1.531 40.530 39.000 -0.001 0.000 1.199 44 F HN 0.102 nan 8.300 nan 0.000 0.444 45 G N 2.020 110.909 108.800 0.148 0.000 4.766 45 G HA2 0.066 4.026 3.960 0.000 0.000 0.314 45 G HA3 0.066 4.026 3.960 0.000 0.000 0.314 45 G C -0.228 174.704 174.900 0.053 0.000 1.427 45 G CA 0.340 45.497 45.100 0.095 0.000 1.024 45 G HN 1.675 nan 8.290 nan 0.000 0.754 46 A N 0.706 123.558 122.820 0.053 0.000 2.604 46 A HA 0.791 5.111 4.320 0.000 0.000 0.295 46 A C -2.928 174.675 177.584 0.031 0.000 1.067 46 A CA 0.032 52.089 52.037 0.033 0.000 0.683 46 A CB 1.572 20.589 19.000 0.029 0.000 1.281 46 A HN 0.813 nan 8.150 nan 0.000 0.407 47 P HA 0.281 nan 4.420 nan 0.000 0.274 47 P C -0.070 177.241 177.300 0.018 0.000 1.237 47 P CA 0.152 63.262 63.100 0.018 0.000 0.793 47 P CB 0.508 32.214 31.700 0.011 0.000 0.977 48 T N 1.850 116.415 114.554 0.017 0.000 3.419 48 T HA 0.279 4.629 4.350 0.000 0.000 0.228 48 T C 0.778 175.484 174.700 0.010 0.000 0.939 48 T CA -0.258 61.851 62.100 0.015 0.000 0.992 48 T CB -1.265 67.614 68.868 0.018 0.000 1.186 48 T HN 0.267 nan 8.240 nan 0.000 0.612 49 I N 1.919 122.494 120.570 0.008 0.000 2.662 49 I HA 0.170 4.340 4.170 0.000 0.000 0.285 49 I C 0.922 177.042 176.117 0.004 0.000 1.161 49 I CA 0.323 61.627 61.300 0.006 0.000 1.415 49 I CB 0.205 38.208 38.000 0.005 0.000 1.385 49 I HN 0.205 nan 8.210 nan 0.000 0.552 50 T N 4.689 119.245 114.554 0.003 0.000 2.841 50 T HA 0.387 4.737 4.350 0.000 0.000 0.296 50 T C 0.256 174.956 174.700 0.001 0.000 1.166 50 T CA -0.716 61.385 62.100 0.002 0.000 1.007 50 T CB 1.729 70.598 68.868 0.002 0.000 1.253 50 T HN 0.657 nan 8.240 nan 0.000 0.511 51 K N 0.411 120.811 120.400 -0.000 0.000 2.373 51 K HA 0.189 4.509 4.320 0.000 0.000 0.200 51 K C -0.438 176.161 176.600 -0.002 0.000 1.054 51 K CA -0.243 56.043 56.287 -0.001 0.000 1.065 51 K CB 0.440 32.939 32.500 -0.002 0.000 0.886 51 K HN 0.450 nan 8.250 nan 0.000 0.546 52 D N 0.630 121.029 120.400 -0.002 0.000 2.338 52 D HA 0.034 4.674 4.640 0.000 0.000 0.255 52 D C 1.120 177.418 176.300 -0.004 0.000 1.237 52 D CA 0.052 54.051 54.000 -0.003 0.000 0.883 52 D CB 1.230 42.028 40.800 -0.003 0.000 1.087 52 D HN 0.196 nan 8.370 nan 0.000 0.485 53 G N 2.597 111.394 108.800 -0.004 0.000 2.471 53 G HA2 -0.159 3.801 3.960 0.000 0.000 0.219 53 G HA3 -0.159 3.801 3.960 0.000 0.000 0.219 53 G C 1.450 176.345 174.900 -0.008 0.000 1.125 53 G CA 0.605 45.702 45.100 -0.004 0.000 0.775 53 G HN 0.482 nan 8.290 nan 0.000 0.548 54 V N 1.119 121.027 119.914 -0.010 0.000 2.270 54 V HA -0.166 3.955 4.120 0.000 0.000 0.245 54 V C 3.049 179.134 176.094 -0.015 0.000 1.043 54 V CA 2.223 64.514 62.300 -0.015 0.000 1.014 54 V CB -0.725 31.088 31.823 -0.016 0.000 0.645 54 V HN 0.349 nan 8.190 nan 0.000 0.447 55 S N 0.027 115.720 115.700 -0.011 0.000 2.356 55 S HA -0.159 4.312 4.470 0.000 0.000 0.223 55 S C 2.059 176.654 174.600 -0.008 0.000 1.032 55 S CA 1.485 59.679 58.200 -0.009 0.000 1.005 55 S CB -0.305 62.891 63.200 -0.006 0.000 0.867 55 S HN 0.338 nan 8.310 nan 0.000 0.449 56 V N 2.141 122.052 119.914 -0.006 0.000 2.332 56 V HA -0.236 3.885 4.120 0.000 0.000 0.248 56 V C 2.662 178.752 176.094 -0.006 0.000 1.055 56 V CA 1.782 64.079 62.300 -0.004 0.000 1.038 56 V CB -1.235 30.587 31.823 -0.002 0.000 0.651 56 V HN 0.544 nan 8.190 nan 0.000 0.450 57 A N -0.122 122.693 122.820 -0.008 0.000 1.877 57 A HA -0.269 4.052 4.320 0.000 0.000 0.216 57 A C 2.395 179.971 177.584 -0.013 0.000 1.186 57 A CA 2.082 54.113 52.037 -0.010 0.000 0.620 57 A CB -0.611 18.381 19.000 -0.012 0.000 0.822 57 A HN 0.473 nan 8.150 nan 0.000 0.443 58 R N -0.686 119.804 120.500 -0.016 0.000 2.152 58 R HA -0.170 4.170 4.340 0.000 0.000 0.232 58 R C 1.843 178.133 176.300 -0.015 0.000 1.117 58 R CA 1.661 57.749 56.100 -0.020 0.000 0.981 58 R CB -0.102 30.185 30.300 -0.023 0.000 0.870 58 R HN 0.512 nan 8.270 nan 0.000 0.451 59 E N 0.067 120.261 120.200 -0.011 0.000 2.371 59 E HA 0.001 4.351 4.350 0.000 0.000 0.194 59 E C -0.153 176.443 176.600 -0.007 0.000 1.012 59 E CA 0.200 56.596 56.400 -0.008 0.000 0.860 59 E CB 0.180 29.878 29.700 -0.004 0.000 0.811 59 E HN 0.143 nan 8.360 nan 0.000 0.502 60 I N 2.209 122.774 120.570 -0.008 0.000 2.556 60 I HA 0.153 4.324 4.170 0.000 0.000 0.284 60 I C 0.206 176.319 176.117 -0.008 0.000 1.114 60 I CA 0.451 61.748 61.300 -0.006 0.000 1.418 60 I CB 0.237 38.235 38.000 -0.004 0.000 1.394 60 I HN 0.129 nan 8.210 nan 0.000 0.552 61 E N 7.661 127.857 120.200 -0.007 0.000 2.367 61 E HA 0.364 4.715 4.350 0.000 0.000 0.292 61 E C -1.937 174.659 176.600 -0.007 0.000 0.900 61 E CA -0.440 55.955 56.400 -0.010 0.000 0.807 61 E CB 1.340 31.033 29.700 -0.011 0.000 1.337 61 E HN 0.494 nan 8.360 nan 0.000 0.394 62 L N 3.191 124.411 121.223 -0.006 0.000 2.344 62 L HA 0.418 4.758 4.340 0.000 0.000 0.272 62 L C 1.545 178.415 176.870 -0.000 0.000 1.035 62 L CA -0.551 54.289 54.840 0.001 0.000 0.807 62 L CB 1.483 43.547 42.059 0.009 0.000 1.237 62 L HN 0.658 nan 8.230 nan 0.000 0.442 63 E N 0.367 120.571 120.200 0.006 0.000 2.158 63 E HA -0.135 4.216 4.350 0.000 0.000 0.191 63 E C 0.298 176.909 176.600 0.018 0.000 0.982 63 E CA 0.273 56.677 56.400 0.007 0.000 0.823 63 E CB 0.381 30.086 29.700 0.008 0.000 0.766 63 E HN 0.597 nan 8.360 nan 0.000 0.468 64 D N 1.093 121.515 120.400 0.036 0.000 2.346 64 D HA -0.024 4.616 4.640 0.000 0.000 0.260 64 D C 0.390 176.727 176.300 0.063 0.000 1.252 64 D CA 0.170 54.215 54.000 0.074 0.000 0.895 64 D CB 0.851 41.707 40.800 0.093 0.000 1.097 64 D HN 0.027 nan 8.370 nan 0.000 0.489 65 K N 2.821 123.233 120.400 0.020 0.000 2.362 65 K HA -0.091 4.229 4.320 0.000 0.000 0.200 65 K C 1.377 177.861 176.600 -0.193 0.000 1.046 65 K CA 0.799 57.016 56.287 -0.117 0.000 0.952 65 K CB 0.197 32.572 32.500 -0.208 0.000 0.753 65 K HN 0.447 nan 8.250 nan 0.000 0.466 66 F N 1.221 121.154 119.950 -0.028 0.000 2.219 66 F HA -0.028 4.499 4.527 -0.000 0.000 0.294 66 F C 2.091 177.877 175.800 -0.024 0.000 1.086 66 F CA 0.814 58.795 58.000 -0.032 0.000 1.330 66 F CB -0.106 38.872 39.000 -0.038 0.000 1.047 66 F HN -0.000 nan 8.300 nan 0.000 0.495 67 E N 0.170 120.474 120.200 0.173 0.000 2.110 67 E HA -0.237 4.113 4.350 0.000 0.000 0.193 67 E C 1.713 178.340 176.600 0.045 0.000 0.988 67 E CA 1.275 57.727 56.400 0.087 0.000 0.804 67 E CB -0.349 29.392 29.700 0.068 0.000 0.745 67 E HN 0.286 nan 8.360 nan 0.000 0.458 68 N N 0.804 119.518 118.700 0.024 0.000 2.104 68 N HA -0.153 4.587 4.740 0.000 0.000 0.190 68 N C 1.742 177.241 175.510 -0.018 0.000 1.024 68 N CA 1.270 54.316 53.050 -0.006 0.000 0.853 68 N CB -0.007 38.465 38.487 -0.026 0.000 1.008 68 N HN 0.081 nan 8.380 nan 0.000 0.424 69 M N -0.730 118.852 119.600 -0.030 0.000 2.080 69 M HA -0.086 4.394 4.480 0.000 0.000 0.260 69 M C 2.145 178.442 176.300 -0.004 0.000 1.068 69 M CA 1.797 57.077 55.300 -0.033 0.000 1.109 69 M CB -0.693 31.875 32.600 -0.053 0.000 1.342 69 M HN 0.349 nan 8.290 nan 0.000 0.405 70 G N -0.285 108.527 108.800 0.019 0.000 2.418 70 G HA2 -0.150 3.810 3.960 0.000 0.000 0.217 70 G HA3 -0.150 3.810 3.960 0.000 0.000 0.217 70 G C 1.590 176.497 174.900 0.012 0.000 1.158 70 G CA 1.026 46.139 45.100 0.022 0.000 0.771 70 G HN 0.551 nan 8.290 nan 0.000 0.545 71 A N 0.081 122.906 122.820 0.008 0.000 1.883 71 A HA -0.117 4.203 4.320 0.000 0.000 0.217 71 A C 2.394 179.974 177.584 -0.006 0.000 1.186 71 A CA 2.025 54.063 52.037 0.002 0.000 0.624 71 A CB -0.457 18.543 19.000 0.001 0.000 0.822 71 A HN 0.322 nan 8.150 nan 0.000 0.444 72 Q N -0.826 118.966 119.800 -0.012 0.000 2.124 72 Q HA -0.160 4.180 4.340 0.000 0.000 0.202 72 Q C 2.202 178.191 176.000 -0.019 0.000 0.977 72 Q CA 1.702 57.493 55.803 -0.020 0.000 0.850 72 Q CB -0.434 28.288 28.738 -0.027 0.000 0.901 72 Q HN 0.795 nan 8.270 nan 0.000 0.429 73 M N -0.440 119.153 119.600 -0.011 0.000 2.065 73 M HA -0.185 4.295 4.480 0.000 0.000 0.259 73 M C 2.325 178.622 176.300 -0.005 0.000 1.069 73 M CA 1.391 56.688 55.300 -0.005 0.000 1.110 73 M CB -0.475 32.128 32.600 0.005 0.000 1.328 73 M HN -0.036 nan 8.290 nan 0.000 0.405 74 V N 0.326 120.239 119.914 -0.001 0.000 2.343 74 V HA -0.263 3.857 4.120 0.000 0.000 0.247 74 V C 2.213 178.299 176.094 -0.013 0.000 1.051 74 V CA 1.771 64.072 62.300 0.000 0.000 1.036 74 V CB -0.749 31.078 31.823 0.006 0.000 0.654 74 V HN 0.427 nan 8.190 nan 0.000 0.451 75 K N -0.216 120.173 120.400 -0.018 0.000 2.020 75 K HA -0.245 4.076 4.320 0.000 0.000 0.212 75 K C 2.356 178.928 176.600 -0.047 0.000 1.050 75 K CA 1.905 58.175 56.287 -0.029 0.000 0.929 75 K CB -0.253 32.231 32.500 -0.026 0.000 0.714 75 K HN 0.415 nan 8.250 nan 0.000 0.443 76 E N 0.701 120.872 120.200 -0.049 0.000 2.072 76 E HA -0.125 4.225 4.350 0.000 0.000 0.190 76 E C 1.974 178.509 176.600 -0.108 0.000 0.982 76 E CA 0.967 57.325 56.400 -0.070 0.000 0.803 76 E CB 0.226 29.893 29.700 -0.054 0.000 0.755 76 E HN 0.053 nan 8.360 nan 0.000 0.453 77 V N 1.191 121.055 119.914 -0.084 0.000 2.667 77 V HA -0.158 3.963 4.120 0.000 0.000 0.252 77 V C 2.449 178.451 176.094 -0.154 0.000 1.065 77 V CA 1.453 63.685 62.300 -0.113 0.000 1.083 77 V CB -0.542 31.286 31.823 0.008 0.000 0.692 77 V HN 0.294 nan 8.190 nan 0.000 0.468 78 A N -0.779 121.991 122.820 -0.084 0.000 1.968 78 A HA -0.172 4.148 4.320 0.000 0.000 0.217 78 A C 2.521 180.036 177.584 -0.115 0.000 1.169 78 A CA 1.843 53.838 52.037 -0.070 0.000 0.638 78 A CB -0.580 18.402 19.000 -0.029 0.000 0.812 78 A HN 0.447 nan 8.150 nan 0.000 0.446 79 S N -0.335 115.287 115.700 -0.128 0.000 2.368 79 S HA -0.172 4.298 4.470 0.000 0.000 0.225 79 S C 1.968 176.439 174.600 -0.216 0.000 1.030 79 S CA 1.760 59.879 58.200 -0.135 0.000 0.999 79 S CB -0.298 62.837 63.200 -0.108 0.000 0.844 79 S HN 0.603 nan 8.310 nan 0.000 0.459 80 K N 0.781 120.965 120.400 -0.360 0.000 2.211 80 K HA -0.037 4.284 4.320 0.000 0.000 0.204 80 K C 2.229 178.402 176.600 -0.712 0.000 1.047 80 K CA 1.005 56.924 56.287 -0.614 0.000 0.935 80 K CB -0.302 31.639 32.500 -0.932 0.000 0.728 80 K HN 0.439 nan 8.250 nan 0.000 0.452 81 A N 2.012 124.540 122.820 -0.486 0.000 1.877 81 A HA -0.231 4.090 4.320 0.000 0.000 0.216 81 A C 2.040 179.606 177.584 -0.030 0.000 1.186 81 A CA 1.742 53.736 52.037 -0.071 0.000 0.620 81 A CB -0.605 18.425 19.000 0.050 0.000 0.822 81 A HN 0.330 nan 8.150 nan 0.000 0.443 82 N N 0.381 119.039 118.700 -0.070 0.000 2.080 82 N HA -0.162 4.578 4.740 0.000 0.000 0.189 82 N C 0.819 176.293 175.510 -0.060 0.000 1.036 82 N CA 1.742 54.762 53.050 -0.049 0.000 0.846 82 N CB -0.457 37.999 38.487 -0.052 0.000 1.015 82 N HN 0.389 nan 8.380 nan 0.000 0.423 83 D N 0.169 120.512 120.400 -0.095 0.000 2.350 83 D HA -0.036 4.604 4.640 0.000 0.000 0.216 83 D C 1.022 177.285 176.300 -0.062 0.000 0.968 83 D CA 0.572 54.519 54.000 -0.089 0.000 0.894 83 D CB 0.053 40.787 40.800 -0.111 0.000 0.909 83 D HN 0.453 nan 8.370 nan 0.000 0.520 84 A N -0.374 122.430 122.820 -0.026 0.000 2.343 84 A HA 0.542 4.862 4.320 0.000 0.000 0.223 84 A C 1.679 179.286 177.584 0.039 0.000 1.214 84 A CA 0.650 52.711 52.037 0.040 0.000 0.900 84 A CB 0.712 19.812 19.000 0.167 0.000 0.942 84 A HN 0.151 nan 8.150 nan 0.000 0.507 85 A N -2.965 119.868 122.820 0.021 0.000 2.591 85 A HA 0.491 4.811 4.320 0.000 0.000 0.204 85 A C 1.547 179.138 177.584 0.011 0.000 1.410 85 A CA 0.978 53.030 52.037 0.026 0.000 1.065 85 A CB -0.040 18.989 19.000 0.049 0.000 1.362 85 A HN 1.750 nan 8.150 nan 0.000 0.566 86 G N -1.198 107.596 108.800 -0.010 0.000 2.279 86 G HA2 -0.145 3.816 3.960 0.000 0.000 0.223 86 G HA3 -0.145 3.816 3.960 0.000 0.000 0.223 86 G C -0.121 174.779 174.900 -0.001 0.000 1.015 86 G CA 0.464 45.559 45.100 -0.009 0.000 0.621 86 G HN 0.692 nan 8.290 nan 0.000 0.506 87 D N -2.368 118.034 120.400 0.003 0.000 2.769 87 D HA 0.532 5.172 4.640 0.000 0.000 0.309 87 D C 0.662 176.967 176.300 0.007 0.000 1.315 87 D CA 0.661 54.661 54.000 0.000 0.000 0.780 87 D CB 0.734 41.536 40.800 0.004 0.000 1.312 87 D HN 1.244 nan 8.370 nan 0.000 0.437 88 G N -0.774 108.028 108.800 0.004 0.000 3.288 88 G HA2 -0.159 3.801 3.960 0.000 0.000 0.219 88 G HA3 -0.159 3.801 3.960 0.000 0.000 0.219 88 G C 0.940 175.844 174.900 0.008 0.000 0.944 88 G CA 0.811 45.919 45.100 0.014 0.000 0.854 88 G HN 0.444 nan 8.290 nan 0.000 0.632 89 T N 1.394 115.944 114.554 -0.007 0.000 2.607 89 T HA -0.165 4.186 4.350 0.000 0.000 0.267 89 T C 2.523 177.221 174.700 -0.003 0.000 1.049 89 T CA 2.472 64.564 62.100 -0.014 0.000 1.162 89 T CB -0.624 68.231 68.868 -0.022 0.000 0.863 89 T HN 0.341 nan 8.240 nan 0.000 0.424 90 T N 1.921 116.475 114.554 -0.000 0.000 2.746 90 T HA -0.111 4.239 4.350 0.000 0.000 0.267 90 T C 2.318 177.024 174.700 0.010 0.000 1.039 90 T CA 1.663 63.765 62.100 0.004 0.000 1.142 90 T CB -0.807 68.063 68.868 0.003 0.000 0.866 90 T HN 0.447 nan 8.240 nan 0.000 0.444 91 T N 2.255 116.817 114.554 0.013 0.000 2.652 91 T HA -0.079 4.272 4.350 0.000 0.000 0.267 91 T C 2.452 177.168 174.700 0.026 0.000 1.039 91 T CA 1.274 63.386 62.100 0.019 0.000 1.153 91 T CB -0.671 68.210 68.868 0.021 0.000 0.863 91 T HN 0.450 nan 8.240 nan 0.000 0.428 92 A N 1.395 124.235 122.820 0.032 0.000 1.908 92 A HA -0.150 4.171 4.320 0.000 0.000 0.218 92 A C 2.581 180.185 177.584 0.034 0.000 1.181 92 A CA 2.189 54.253 52.037 0.045 0.000 0.627 92 A CB -1.342 17.690 19.000 0.053 0.000 0.818 92 A HN 0.493 nan 8.150 nan 0.000 0.445 93 T N -0.448 114.119 114.554 0.020 0.000 2.708 93 T HA -0.118 4.232 4.350 0.000 0.000 0.266 93 T C 1.876 176.586 174.700 0.017 0.000 1.037 93 T CA 1.642 63.752 62.100 0.015 0.000 1.146 93 T CB -0.446 68.427 68.868 0.008 0.000 0.865 93 T HN 0.148 nan 8.240 nan 0.000 0.435 94 V N 1.354 121.278 119.914 0.017 0.000 2.427 94 V HA -0.078 4.042 4.120 0.000 0.000 0.248 94 V C 2.477 178.583 176.094 0.020 0.000 1.051 94 V CA 1.317 63.627 62.300 0.017 0.000 1.048 94 V CB -0.648 31.185 31.823 0.016 0.000 0.666 94 V HN 0.416 nan 8.190 nan 0.000 0.456 95 L N -0.052 121.185 121.223 0.023 0.000 2.017 95 L HA -0.172 4.169 4.340 0.000 0.000 0.208 95 L C 2.749 179.635 176.870 0.025 0.000 1.073 95 L CA 1.628 56.483 54.840 0.025 0.000 0.745 95 L CB -0.809 41.267 42.059 0.029 0.000 0.894 95 L HN 0.363 nan 8.230 nan 0.000 0.432 96 A N -0.436 122.401 122.820 0.028 0.000 1.865 96 A HA -0.317 4.003 4.320 0.000 0.000 0.217 96 A C 2.253 179.851 177.584 0.022 0.000 1.191 96 A CA 2.080 54.134 52.037 0.028 0.000 0.623 96 A CB -0.742 18.277 19.000 0.031 0.000 0.826 96 A HN 0.490 nan 8.150 nan 0.000 0.444 97 Q N -0.664 119.147 119.800 0.019 0.000 2.061 97 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 97 Q C 2.182 178.191 176.000 0.016 0.000 0.984 97 Q CA 1.832 57.645 55.803 0.017 0.000 0.846 97 Q CB -0.384 28.362 28.738 0.014 0.000 0.902 97 Q HN 0.607 nan 8.270 nan 0.000 0.421 98 A N 0.420 123.249 122.820 0.016 0.000 1.978 98 A HA -0.175 4.146 4.320 0.000 0.000 0.220 98 A C 1.913 179.506 177.584 0.015 0.000 1.170 98 A CA 1.502 53.548 52.037 0.015 0.000 0.636 98 A CB -0.556 18.453 19.000 0.016 0.000 0.810 98 A HN 0.501 nan 8.150 nan 0.000 0.448 99 I N -0.942 119.637 120.570 0.016 0.000 2.339 99 I HA -0.127 4.043 4.170 0.000 0.000 0.245 99 I C 2.252 178.378 176.117 0.016 0.000 1.096 99 I CA 0.861 62.170 61.300 0.016 0.000 1.408 99 I CB -0.314 37.696 38.000 0.017 0.000 1.092 99 I HN 0.228 nan 8.210 nan 0.000 0.423 100 I N 0.633 121.214 120.570 0.017 0.000 2.163 100 I HA -0.293 3.877 4.170 0.000 0.000 0.243 100 I C 2.574 178.701 176.117 0.015 0.000 1.085 100 I CA 1.662 62.973 61.300 0.017 0.000 1.347 100 I CB -0.565 37.446 38.000 0.019 0.000 1.044 100 I HN 0.222 nan 8.210 nan 0.000 0.408 101 T N 0.139 114.702 114.554 0.014 0.000 2.759 101 T HA -0.162 4.188 4.350 0.000 0.000 0.269 101 T C 1.787 176.493 174.700 0.011 0.000 1.042 101 T CA 1.286 63.393 62.100 0.012 0.000 1.140 101 T CB -0.139 68.736 68.868 0.011 0.000 0.864 101 T HN 0.313 nan 8.240 nan 0.000 0.455 102 E N 0.398 120.605 120.200 0.011 0.000 2.122 102 E HA 0.068 4.419 4.350 0.000 0.000 0.190 102 E C 2.564 179.171 176.600 0.011 0.000 0.977 102 E CA 0.814 57.220 56.400 0.010 0.000 0.820 102 E CB -0.668 29.038 29.700 0.010 0.000 0.770 102 E HN 0.543 nan 8.360 nan 0.000 0.462 103 G N 1.001 109.808 108.800 0.012 0.000 2.403 103 G HA2 -0.167 3.794 3.960 0.000 0.000 0.216 103 G HA3 -0.167 3.794 3.960 0.000 0.000 0.216 103 G C 1.580 176.488 174.900 0.013 0.000 1.154 103 G CA 0.265 45.372 45.100 0.012 0.000 0.784 103 G HN 0.107 nan 8.290 nan 0.000 0.538 104 L N 0.532 121.763 121.223 0.013 0.000 2.056 104 L HA 0.078 4.419 4.340 0.000 0.000 0.207 104 L C 2.746 179.623 176.870 0.011 0.000 1.078 104 L CA 1.461 56.309 54.840 0.013 0.000 0.749 104 L CB -0.454 41.614 42.059 0.014 0.000 0.901 104 L HN 0.128 nan 8.230 nan 0.000 0.433 105 K N -0.832 119.574 120.400 0.010 0.000 2.097 105 K HA -0.137 4.183 4.320 0.000 0.000 0.206 105 K C 2.137 178.742 176.600 0.008 0.000 1.049 105 K CA 1.245 57.536 56.287 0.008 0.000 0.933 105 K CB -0.276 32.228 32.500 0.007 0.000 0.717 105 K HN 0.332 nan 8.250 nan 0.000 0.442 106 A N 0.858 123.683 122.820 0.009 0.000 1.877 106 A HA -0.129 4.191 4.320 0.000 0.000 0.216 106 A C 2.263 179.852 177.584 0.008 0.000 1.186 106 A CA 1.490 53.532 52.037 0.008 0.000 0.620 106 A CB -0.714 18.291 19.000 0.008 0.000 0.822 106 A HN 0.178 nan 8.150 nan 0.000 0.443 107 V N -0.262 119.658 119.914 0.010 0.000 2.515 107 V HA -0.073 4.048 4.120 0.000 0.000 0.250 107 V C 2.671 178.770 176.094 0.010 0.000 1.058 107 V CA 2.033 64.339 62.300 0.011 0.000 1.064 107 V CB -0.603 31.228 31.823 0.014 0.000 0.675 107 V HN 0.580 nan 8.190 nan 0.000 0.461 108 A N -0.018 122.808 122.820 0.009 0.000 1.969 108 A HA 0.062 4.382 4.320 0.000 0.000 0.218 108 A C 2.228 179.816 177.584 0.006 0.000 1.169 108 A CA 1.611 53.652 52.037 0.007 0.000 0.635 108 A CB -0.751 18.253 19.000 0.007 0.000 0.810 108 A HN 0.878 nan 8.150 nan 0.000 0.445 109 A N -1.449 121.375 122.820 0.006 0.000 2.252 109 A HA 0.398 4.718 4.320 0.000 0.000 0.207 109 A C 1.707 179.293 177.584 0.004 0.000 1.194 109 A CA 1.132 53.172 52.037 0.005 0.000 0.809 109 A CB -1.170 17.833 19.000 0.005 0.000 0.814 109 A HN 1.875 nan 8.150 nan 0.000 0.482 110 G N -1.524 107.279 108.800 0.005 0.000 2.143 110 G HA2 -0.261 3.700 3.960 0.000 0.000 0.248 110 G HA3 -0.261 3.700 3.960 0.000 0.000 0.248 110 G C 0.108 175.011 174.900 0.005 0.000 0.991 110 G CA 0.456 45.558 45.100 0.005 0.000 0.689 110 G HN 0.437 nan 8.290 nan 0.000 0.522 111 M N 0.317 119.921 119.600 0.006 0.000 2.249 111 M HA 0.276 4.757 4.480 0.000 0.000 0.351 111 M C 0.676 176.980 176.300 0.007 0.000 1.180 111 M CA -0.783 54.520 55.300 0.006 0.000 1.127 111 M CB 0.791 33.394 32.600 0.006 0.000 1.546 111 M HN 0.166 nan 8.290 nan 0.000 0.461 112 N N 3.614 122.318 118.700 0.006 0.000 2.438 112 N HA 0.084 4.824 4.740 0.000 0.000 0.267 112 N C -2.087 173.428 175.510 0.009 0.000 1.222 112 N CA -1.433 51.621 53.050 0.007 0.000 0.930 112 N CB 0.776 39.267 38.487 0.006 0.000 1.083 112 N HN 0.247 nan 8.380 nan 0.000 0.476 113 P HA -0.148 nan 4.420 nan 0.000 0.217 113 P C 1.020 178.327 177.300 0.011 0.000 1.148 113 P CA 1.365 64.472 63.100 0.012 0.000 0.828 113 P CB 0.197 31.907 31.700 0.015 0.000 0.783 114 M N -1.438 118.168 119.600 0.010 0.000 2.287 114 M HA -0.045 4.435 4.480 0.000 0.000 0.266 114 M C 1.576 177.880 176.300 0.007 0.000 1.079 114 M CA 1.510 56.815 55.300 0.008 0.000 1.146 114 M CB -1.035 31.569 32.600 0.008 0.000 1.374 114 M HN -0.163 nan 8.290 nan 0.000 0.435 115 D N -0.247 120.156 120.400 0.006 0.000 2.183 115 D HA -0.040 4.600 4.640 0.000 0.000 0.203 115 D C 2.094 178.397 176.300 0.006 0.000 0.969 115 D CA 1.002 55.005 54.000 0.005 0.000 0.842 115 D CB 0.017 40.820 40.800 0.005 0.000 0.957 115 D HN 0.296 nan 8.370 nan 0.000 0.484 116 L N 1.038 122.265 121.223 0.007 0.000 1.989 116 L HA -0.214 4.126 4.340 0.000 0.000 0.211 116 L C 2.611 179.485 176.870 0.007 0.000 1.071 116 L CA 1.337 56.181 54.840 0.007 0.000 0.749 116 L CB -0.389 41.675 42.059 0.008 0.000 0.890 116 L HN -0.034 nan 8.230 nan 0.000 0.431 117 K N 0.404 120.809 120.400 0.007 0.000 2.032 117 K HA -0.250 4.070 4.320 0.000 0.000 0.209 117 K C 2.322 178.925 176.600 0.004 0.000 1.048 117 K CA 1.537 57.828 56.287 0.006 0.000 0.927 117 K CB -0.141 32.363 32.500 0.007 0.000 0.712 117 K HN 0.071 nan 8.250 nan 0.000 0.441 118 R N -0.453 120.050 120.500 0.004 0.000 2.249 118 R HA -0.109 4.231 4.340 0.000 0.000 0.230 118 R C 1.948 178.250 176.300 0.003 0.000 1.121 118 R CA 1.487 57.588 56.100 0.003 0.000 0.997 118 R CB -0.189 30.113 30.300 0.003 0.000 0.867 118 R HN 0.438 nan 8.270 nan 0.000 0.465 119 G N 0.052 108.854 108.800 0.004 0.000 2.486 119 G HA2 -0.074 3.887 3.960 0.000 0.000 0.210 119 G HA3 -0.074 3.887 3.960 0.000 0.000 0.210 119 G C 1.358 176.261 174.900 0.004 0.000 1.168 119 G CA 0.012 45.114 45.100 0.004 0.000 0.820 119 G HN 0.171 nan 8.290 nan 0.000 0.544 120 I N 1.414 121.987 120.570 0.005 0.000 2.163 120 I HA -0.165 4.005 4.170 0.000 0.000 0.243 120 I C 2.331 178.449 176.117 0.002 0.000 1.085 120 I CA 1.318 62.621 61.300 0.005 0.000 1.347 120 I CB -0.191 37.812 38.000 0.006 0.000 1.044 120 I HN 0.028 nan 8.210 nan 0.000 0.408 121 D N 0.903 121.304 120.400 0.001 0.000 2.106 121 D HA -0.246 4.394 4.640 0.000 0.000 0.191 121 D C 2.088 178.387 176.300 -0.002 0.000 0.997 121 D CA 1.386 55.385 54.000 -0.002 0.000 0.834 121 D CB -0.312 40.487 40.800 -0.002 0.000 0.956 121 D HN 0.228 nan 8.370 nan 0.000 0.448 122 K N 0.284 120.684 120.400 -0.000 0.000 2.103 122 K HA -0.131 4.189 4.320 0.000 0.000 0.207 122 K C 1.953 178.554 176.600 0.001 0.000 1.048 122 K CA 1.352 57.639 56.287 0.001 0.000 0.930 122 K CB -0.067 32.434 32.500 0.001 0.000 0.716 122 K HN 0.083 nan 8.250 nan 0.000 0.444 123 A N 0.393 123.215 122.820 0.002 0.000 1.898 123 A HA -0.084 4.237 4.320 0.000 0.000 0.216 123 A C 2.217 179.802 177.584 0.003 0.000 1.181 123 A CA 1.415 53.455 52.037 0.004 0.000 0.620 123 A CB -0.545 18.458 19.000 0.005 0.000 0.819 123 A HN 0.158 nan 8.150 nan 0.000 0.442 124 V N -0.122 119.792 119.914 0.001 0.000 2.295 124 V HA -0.238 3.882 4.120 0.000 0.000 0.246 124 V C 2.775 178.867 176.094 -0.004 0.000 1.049 124 V CA 2.527 64.826 62.300 -0.002 0.000 1.024 124 V CB -1.270 30.550 31.823 -0.006 0.000 0.648 124 V HN 0.613 nan 8.190 nan 0.000 0.447 125 T N 0.518 115.069 114.554 -0.005 0.000 2.652 125 T HA -0.223 4.128 4.350 0.000 0.000 0.267 125 T C 2.061 176.761 174.700 -0.001 0.000 1.039 125 T CA 1.849 63.946 62.100 -0.005 0.000 1.153 125 T CB -0.535 68.331 68.868 -0.005 0.000 0.863 125 T HN 0.578 nan 8.240 nan 0.000 0.428 126 A N 1.420 124.241 122.820 0.001 0.000 1.908 126 A HA 0.114 4.435 4.320 0.000 0.000 0.218 126 A C 2.646 180.233 177.584 0.005 0.000 1.181 126 A CA 1.948 53.987 52.037 0.003 0.000 0.627 126 A CB -1.125 17.877 19.000 0.004 0.000 0.818 126 A HN 0.526 nan 8.150 nan 0.000 0.445 127 A N -0.722 122.101 122.820 0.005 0.000 1.933 127 A HA 0.008 4.329 4.320 0.000 0.000 0.218 127 A C 2.127 179.715 177.584 0.006 0.000 1.175 127 A CA 1.702 53.744 52.037 0.008 0.000 0.628 127 A CB -0.797 18.208 19.000 0.008 0.000 0.814 127 A HN 0.416 nan 8.150 nan 0.000 0.444 128 V N -0.285 119.630 119.914 0.002 0.000 2.970 128 V HA -0.154 3.966 4.120 0.000 0.000 0.260 128 V C 2.421 178.516 176.094 0.002 0.000 1.100 128 V CA 2.129 64.428 62.300 -0.000 0.000 1.122 128 V CB -0.473 31.346 31.823 -0.007 0.000 0.721 128 V HN 0.589 nan 8.190 nan 0.000 0.483 129 E N 0.103 120.305 120.200 0.003 0.000 2.051 129 E HA -0.114 4.236 4.350 0.000 0.000 0.189 129 E C 2.306 178.911 176.600 0.008 0.000 0.979 129 E CA 0.751 57.154 56.400 0.004 0.000 0.803 129 E CB -0.127 29.576 29.700 0.004 0.000 0.761 129 E HN 0.437 nan 8.360 nan 0.000 0.451 130 E N 0.164 120.369 120.200 0.009 0.000 2.160 130 E HA -0.184 4.166 4.350 0.000 0.000 0.195 130 E C 2.055 178.664 176.600 0.015 0.000 0.991 130 E CA 0.543 56.950 56.400 0.013 0.000 0.810 130 E CB -0.233 29.476 29.700 0.015 0.000 0.742 130 E HN 0.196 nan 8.360 nan 0.000 0.466 131 L N 1.462 122.692 121.223 0.013 0.000 2.093 131 L HA -0.130 4.211 4.340 0.000 0.000 0.208 131 L C 1.932 178.810 176.870 0.012 0.000 1.085 131 L CA 1.711 56.559 54.840 0.013 0.000 0.755 131 L CB -0.152 41.913 42.059 0.010 0.000 0.904 131 L HN -0.087 nan 8.230 nan 0.000 0.435 132 K N -0.779 119.627 120.400 0.009 0.000 2.283 132 K HA 0.021 4.341 4.320 0.000 0.000 0.202 132 K C 1.790 178.396 176.600 0.011 0.000 1.048 132 K CA 0.903 57.196 56.287 0.009 0.000 0.948 132 K CB -0.165 32.339 32.500 0.007 0.000 0.742 132 K HN 0.427 nan 8.250 nan 0.000 0.458 133 A N 0.391 123.219 122.820 0.013 0.000 2.238 133 A HA 0.005 4.325 4.320 0.000 0.000 0.208 133 A C 1.719 179.314 177.584 0.019 0.000 1.177 133 A CA 0.628 52.674 52.037 0.015 0.000 0.804 133 A CB 0.012 19.021 19.000 0.014 0.000 0.823 133 A HN 0.197 nan 8.150 nan 0.000 0.482 134 L N -1.769 119.466 121.223 0.020 0.000 2.547 134 L HA 0.327 4.667 4.340 0.000 0.000 0.218 134 L C 1.114 177.997 176.870 0.021 0.000 1.048 134 L CA 0.901 55.755 54.840 0.024 0.000 0.859 134 L CB 0.185 42.260 42.059 0.026 0.000 1.128 134 L HN 0.135 nan 8.230 nan 0.000 0.483 135 S N -0.476 115.234 115.700 0.017 0.000 2.455 135 S HA 0.504 4.974 4.470 0.000 0.000 0.278 135 S C 0.277 174.885 174.600 0.014 0.000 1.216 135 S CA 0.233 58.442 58.200 0.015 0.000 1.055 135 S CB 0.117 63.325 63.200 0.013 0.000 0.939 135 S HN 0.236 nan 8.310 nan 0.000 0.494 136 V N 3.444 123.367 119.914 0.014 0.000 5.994 136 V HA 0.384 4.504 4.120 0.000 0.000 0.089 136 V C -2.672 173.429 176.094 0.011 0.000 0.983 136 V CA -0.864 61.444 62.300 0.013 0.000 1.023 136 V CB -1.023 30.808 31.823 0.013 0.000 1.609 136 V HN 0.504 nan 8.190 nan 0.000 0.642 137 P HA 0.414 nan 4.420 nan 0.000 0.267 137 P C -0.801 176.503 177.300 0.008 0.000 1.328 137 P CA 0.633 63.739 63.100 0.010 0.000 0.990 137 P CB 0.046 31.753 31.700 0.012 0.000 1.168 138 C N 2.663 121.968 119.300 0.007 0.000 3.046 138 C HA 0.594 5.054 4.460 0.000 0.000 0.388 138 C C 0.650 175.644 174.990 0.006 0.000 1.041 138 C CA 0.196 59.218 59.018 0.006 0.000 1.241 138 C CB 0.680 28.423 27.740 0.006 0.000 1.638 138 C HN 0.497 nan 8.230 nan 0.000 0.539 139 S N 2.033 117.735 115.700 0.004 0.000 2.138 139 S HA 0.116 4.586 4.470 0.000 0.000 0.214 139 S C -0.296 174.306 174.600 0.002 0.000 0.829 139 S CA 0.729 58.931 58.200 0.004 0.000 1.385 139 S CB -0.439 62.764 63.200 0.005 0.000 0.905 139 S HN 1.012 nan 8.310 nan 0.000 0.374 140 D N 0.859 121.260 120.400 0.002 0.000 2.569 140 D HA 0.473 5.114 4.640 0.000 0.000 0.266 140 D C 1.027 177.326 176.300 -0.002 0.000 1.164 140 D CA 0.165 54.165 54.000 0.000 0.000 1.071 140 D CB 0.704 41.505 40.800 0.001 0.000 1.183 140 D HN 0.075 nan 8.370 nan 0.000 0.613 141 S N -0.434 115.265 115.700 -0.002 0.000 2.374 141 S HA -0.225 4.246 4.470 0.000 0.000 0.227 141 S C 1.695 176.293 174.600 -0.004 0.000 1.037 141 S CA 1.684 59.882 58.200 -0.004 0.000 1.024 141 S CB -0.335 62.862 63.200 -0.004 0.000 0.861 141 S HN 0.596 nan 8.310 nan 0.000 0.456 142 K N 1.312 121.710 120.400 -0.003 0.000 2.025 142 K HA -0.011 4.309 4.320 0.000 0.000 0.207 142 K C 2.350 178.947 176.600 -0.003 0.000 1.049 142 K CA 1.041 57.327 56.287 -0.003 0.000 0.933 142 K CB -0.393 32.106 32.500 -0.001 0.000 0.714 142 K HN 0.291 nan 8.250 nan 0.000 0.438 143 A N 1.775 124.593 122.820 -0.002 0.000 1.883 143 A HA -0.189 4.131 4.320 0.000 0.000 0.217 143 A C 2.053 179.635 177.584 -0.004 0.000 1.186 143 A CA 1.557 53.593 52.037 -0.002 0.000 0.624 143 A CB -0.646 18.354 19.000 0.000 0.000 0.822 143 A HN 0.297 nan 8.150 nan 0.000 0.444 144 I N -0.083 120.484 120.570 -0.005 0.000 2.091 144 I HA -0.311 3.859 4.170 0.000 0.000 0.239 144 I C 2.989 179.100 176.117 -0.010 0.000 1.061 144 I CA 1.826 63.121 61.300 -0.008 0.000 1.317 144 I CB -1.599 36.396 38.000 -0.008 0.000 1.031 144 I HN 0.392 nan 8.210 nan 0.000 0.401 145 A N -0.224 122.590 122.820 -0.010 0.000 1.933 145 A HA -0.263 4.057 4.320 0.000 0.000 0.218 145 A C 2.332 179.909 177.584 -0.011 0.000 1.175 145 A CA 1.884 53.915 52.037 -0.011 0.000 0.628 145 A CB -0.657 18.338 19.000 -0.009 0.000 0.814 145 A HN 0.568 nan 8.150 nan 0.000 0.444 146 Q N -0.803 118.991 119.800 -0.010 0.000 1.994 146 Q HA -0.085 4.255 4.340 0.000 0.000 0.198 146 Q C 2.001 177.994 176.000 -0.012 0.000 0.976 146 Q CA 1.794 57.590 55.803 -0.011 0.000 0.828 146 Q CB -0.309 28.424 28.738 -0.009 0.000 0.894 146 Q HN 0.348 nan 8.270 nan 0.000 0.432 147 V N 0.368 120.276 119.914 -0.010 0.000 2.490 147 V HA -0.133 3.988 4.120 0.000 0.000 0.250 147 V C 1.903 177.990 176.094 -0.011 0.000 1.061 147 V CA 2.135 64.429 62.300 -0.010 0.000 1.064 147 V CB -0.643 31.176 31.823 -0.006 0.000 0.670 147 V HN 0.627 nan 8.190 nan 0.000 0.461 148 G N -0.426 108.366 108.800 -0.013 0.000 2.404 148 G HA2 -0.265 3.695 3.960 0.000 0.000 0.215 148 G HA3 -0.265 3.695 3.960 0.000 0.000 0.215 148 G C 1.702 176.592 174.900 -0.017 0.000 1.174 148 G CA 1.536 46.626 45.100 -0.017 0.000 0.780 148 G HN 0.593 nan 8.290 nan 0.000 0.537 149 T N -0.105 114.439 114.554 -0.016 0.000 2.821 149 T HA 0.047 4.397 4.350 0.000 0.000 0.267 149 T C 2.400 177.089 174.700 -0.018 0.000 1.046 149 T CA 0.972 63.062 62.100 -0.017 0.000 1.139 149 T CB -0.207 68.651 68.868 -0.016 0.000 0.871 149 T HN 0.235 nan 8.240 nan 0.000 0.454 150 I N 1.434 121.993 120.570 -0.019 0.000 2.202 150 I HA -0.124 4.046 4.170 0.000 0.000 0.242 150 I C 2.997 179.102 176.117 -0.019 0.000 1.091 150 I CA 1.331 62.617 61.300 -0.022 0.000 1.368 150 I CB -0.437 37.549 38.000 -0.023 0.000 1.058 150 I HN 0.276 nan 8.210 nan 0.000 0.410 151 S N 0.365 116.056 115.700 -0.015 0.000 2.453 151 S HA 0.016 4.486 4.470 0.000 0.000 0.231 151 S C 1.826 176.420 174.600 -0.010 0.000 1.005 151 S CA 0.929 59.123 58.200 -0.010 0.000 0.949 151 S CB -0.170 63.028 63.200 -0.004 0.000 0.774 151 S HN 0.437 nan 8.310 nan 0.000 0.510 152 A N 1.324 124.136 122.820 -0.013 0.000 2.291 152 A HA 0.266 4.586 4.320 0.000 0.000 0.220 152 A C 1.018 178.593 177.584 -0.014 0.000 1.262 152 A CA 0.510 52.539 52.037 -0.013 0.000 0.867 152 A CB -0.853 18.138 19.000 -0.015 0.000 0.888 152 A HN 0.768 nan 8.150 nan 0.000 0.487 153 N N -1.752 116.939 118.700 -0.016 0.000 2.936 153 N HA -0.278 4.462 4.740 0.000 0.000 0.236 153 N C 0.178 175.675 175.510 -0.021 0.000 0.930 153 N CA 0.999 54.037 53.050 -0.019 0.000 0.966 153 N CB -1.022 37.455 38.487 -0.016 0.000 1.090 153 N HN 0.521 nan 8.380 nan 0.000 0.592 154 S N -1.139 114.549 115.700 -0.021 0.000 2.042 154 S HA -0.121 4.349 4.470 0.000 0.000 0.252 154 S C -0.570 174.020 174.600 -0.017 0.000 1.373 154 S CA 0.428 58.616 58.200 -0.020 0.000 1.133 154 S CB -0.991 62.196 63.200 -0.022 0.000 1.435 154 S HN 0.566 nan 8.310 nan 0.000 0.649 155 D N 2.468 122.859 120.400 -0.015 0.000 2.385 155 D HA 0.128 4.768 4.640 0.000 0.000 0.260 155 D C 1.017 177.309 176.300 -0.014 0.000 1.326 155 D CA 0.288 54.280 54.000 -0.014 0.000 1.023 155 D CB 0.211 41.004 40.800 -0.013 0.000 1.083 155 D HN 0.513 nan 8.370 nan 0.000 0.517 156 E N 1.021 121.213 120.200 -0.013 0.000 2.463 156 E HA -0.144 4.206 4.350 0.000 0.000 0.201 156 E C 1.718 178.311 176.600 -0.012 0.000 1.045 156 E CA 0.948 57.340 56.400 -0.013 0.000 0.872 156 E CB 0.285 29.978 29.700 -0.012 0.000 0.797 156 E HN 0.607 nan 8.360 nan 0.000 0.538 157 T N -2.566 111.981 114.554 -0.012 0.000 2.866 157 T HA -0.026 4.324 4.350 0.000 0.000 0.250 157 T C 2.097 176.789 174.700 -0.015 0.000 1.033 157 T CA 0.445 62.537 62.100 -0.013 0.000 1.145 157 T CB -0.462 68.400 68.868 -0.011 0.000 0.866 157 T HN -0.042 nan 8.240 nan 0.000 0.434 158 V N 2.187 122.092 119.914 -0.015 0.000 2.295 158 V HA 0.007 4.127 4.120 0.000 0.000 0.246 158 V C 3.113 179.194 176.094 -0.020 0.000 1.049 158 V CA 2.070 64.359 62.300 -0.018 0.000 1.024 158 V CB -1.451 30.361 31.823 -0.018 0.000 0.648 158 V HN 0.714 nan 8.190 nan 0.000 0.447 159 G N -0.772 108.017 108.800 -0.019 0.000 2.422 159 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 159 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 159 G C 1.639 176.528 174.900 -0.018 0.000 1.140 159 G CA 0.965 46.053 45.100 -0.019 0.000 0.775 159 G HN 0.497 nan 8.290 nan 0.000 0.545 160 K N -0.453 119.937 120.400 -0.016 0.000 2.025 160 K HA -0.008 4.312 4.320 0.000 0.000 0.207 160 K C 2.429 179.019 176.600 -0.017 0.000 1.049 160 K CA 0.698 56.976 56.287 -0.015 0.000 0.933 160 K CB -0.236 32.256 32.500 -0.013 0.000 0.714 160 K HN 0.166 nan 8.250 nan 0.000 0.438 161 L N 1.637 122.849 121.223 -0.018 0.000 1.990 161 L HA -0.227 4.114 4.340 0.000 0.000 0.213 161 L C 2.236 179.091 176.870 -0.025 0.000 1.072 161 L CA 1.704 56.532 54.840 -0.020 0.000 0.755 161 L CB -0.573 41.473 42.059 -0.021 0.000 0.889 161 L HN 0.262 nan 8.230 nan 0.000 0.432 162 I N -1.173 119.379 120.570 -0.029 0.000 2.127 162 I HA -0.357 3.813 4.170 0.000 0.000 0.241 162 I C 2.563 178.663 176.117 -0.028 0.000 1.075 162 I CA 1.399 62.678 61.300 -0.035 0.000 1.334 162 I CB -0.587 37.389 38.000 -0.040 0.000 1.040 162 I HN 0.276 nan 8.210 nan 0.000 0.405 163 A N 0.270 123.076 122.820 -0.023 0.000 1.902 163 A HA -0.221 4.099 4.320 0.000 0.000 0.217 163 A C 2.126 179.700 177.584 -0.016 0.000 1.181 163 A CA 1.701 53.728 52.037 -0.018 0.000 0.623 163 A CB -0.601 18.390 19.000 -0.015 0.000 0.818 163 A HN 0.486 nan 8.150 nan 0.000 0.443 164 E N -0.649 119.541 120.200 -0.016 0.000 2.511 164 E HA 0.166 4.516 4.350 0.000 0.000 0.196 164 E C 1.789 178.380 176.600 -0.015 0.000 1.066 164 E CA 0.343 56.734 56.400 -0.014 0.000 0.871 164 E CB -0.043 29.649 29.700 -0.013 0.000 0.863 164 E HN 0.648 nan 8.360 nan 0.000 0.520 165 A N 0.649 123.458 122.820 -0.018 0.000 1.909 165 A HA 0.030 4.350 4.320 0.000 0.000 0.209 165 A C 2.055 179.629 177.584 -0.018 0.000 1.247 165 A CA 0.257 52.283 52.037 -0.019 0.000 0.660 165 A CB -0.136 18.849 19.000 -0.024 0.000 0.910 165 A HN 0.061 nan 8.150 nan 0.000 0.465 166 M N -0.361 119.227 119.600 -0.020 0.000 2.080 166 M HA -0.194 4.286 4.480 0.000 0.000 0.260 166 M C 1.867 178.159 176.300 -0.013 0.000 1.068 166 M CA 2.269 57.558 55.300 -0.018 0.000 1.109 166 M CB -0.562 32.025 32.600 -0.021 0.000 1.342 166 M HN 0.535 nan 8.290 nan 0.000 0.405 167 D N 0.151 120.544 120.400 -0.012 0.000 2.178 167 D HA -0.121 4.519 4.640 0.000 0.000 0.202 167 D C 1.808 178.104 176.300 -0.008 0.000 0.974 167 D CA 1.196 55.191 54.000 -0.009 0.000 0.841 167 D CB 0.233 41.028 40.800 -0.008 0.000 0.953 167 D HN 0.245 nan 8.370 nan 0.000 0.478 168 K N -0.460 119.935 120.400 -0.009 0.000 2.031 168 K HA -0.014 4.306 4.320 0.000 0.000 0.205 168 K C 1.937 178.533 176.600 -0.007 0.000 1.049 168 K CA 0.702 56.984 56.287 -0.008 0.000 0.939 168 K CB -0.068 32.427 32.500 -0.008 0.000 0.717 168 K HN 0.040 nan 8.250 nan 0.000 0.438 169 V N 0.242 120.152 119.914 -0.008 0.000 3.235 169 V HA 0.118 4.238 4.120 0.000 0.000 0.259 169 V C 0.466 176.557 176.094 -0.006 0.000 1.133 169 V CA 1.178 63.473 62.300 -0.007 0.000 1.128 169 V CB -0.120 31.698 31.823 -0.008 0.000 0.757 169 V HN 0.617 nan 8.190 nan 0.000 0.469 170 G N -0.107 108.689 108.800 -0.006 0.000 2.661 170 G HA2 -0.185 3.775 3.960 0.000 0.000 0.685 170 G HA3 -0.185 3.775 3.960 0.000 0.000 0.685 170 G C 0.144 175.042 174.900 -0.004 0.000 1.298 170 G CA 0.065 45.163 45.100 -0.005 0.000 0.855 170 G HN 0.245 nan 8.290 nan 0.000 0.560 171 K N 0.046 120.445 120.400 -0.002 0.000 2.097 171 K HA -0.058 4.263 4.320 0.000 0.000 0.205 171 K C 1.984 178.587 176.600 0.004 0.000 1.050 171 K CA 1.919 58.207 56.287 0.001 0.000 0.938 171 K CB -0.010 32.491 32.500 0.003 0.000 0.718 171 K HN 0.461 nan 8.250 nan 0.000 0.442 172 E N 0.193 120.395 120.200 0.003 0.000 2.478 172 E HA 0.040 4.390 4.350 0.000 0.000 0.194 172 E C 0.696 177.301 176.600 0.008 0.000 1.045 172 E CA 0.115 56.519 56.400 0.006 0.000 0.868 172 E CB 0.255 29.954 29.700 -0.001 0.000 0.885 172 E HN 0.296 nan 8.360 nan 0.000 0.505 173 G N -0.133 108.669 108.800 0.003 0.000 2.580 173 G HA2 0.374 4.334 3.960 0.000 0.000 0.278 173 G HA3 0.374 4.334 3.960 0.000 0.000 0.278 173 G C -0.501 174.400 174.900 0.002 0.000 1.212 173 G CA -0.548 44.554 45.100 0.003 0.000 0.939 173 G HN 0.011 nan 8.290 nan 0.000 0.513 174 V N 0.377 120.291 119.914 0.000 0.000 2.417 174 V HA 0.526 4.646 4.120 0.000 0.000 0.291 174 V C -0.521 175.565 176.094 -0.014 0.000 1.024 174 V CA -0.379 61.919 62.300 -0.003 0.000 0.861 174 V CB 1.061 32.888 31.823 0.007 0.000 0.985 174 V HN 0.506 nan 8.190 nan 0.000 0.436 175 I N 4.008 124.563 120.570 -0.025 0.000 2.619 175 I HA 0.726 4.896 4.170 0.000 0.000 0.292 175 I C 0.116 176.204 176.117 -0.047 0.000 1.100 175 I CA -0.083 61.195 61.300 -0.037 0.000 1.043 175 I CB 2.520 40.491 38.000 -0.049 0.000 1.239 175 I HN 0.798 nan 8.210 nan 0.000 0.420 176 T N 1.803 116.332 114.554 -0.042 0.000 2.838 176 T HA 0.907 5.258 4.350 0.000 0.000 0.292 176 T C -0.975 173.701 174.700 -0.039 0.000 1.113 176 T CA -0.831 61.245 62.100 -0.041 0.000 1.008 176 T CB 1.740 70.592 68.868 -0.026 0.000 1.259 176 T HN 0.248 nan 8.240 nan 0.000 0.520 177 V N 0.921 120.816 119.914 -0.033 0.000 2.680 177 V HA 0.679 4.799 4.120 0.000 0.000 0.309 177 V C -0.499 175.585 176.094 -0.016 0.000 1.052 177 V CA -0.765 61.519 62.300 -0.027 0.000 0.908 177 V CB 1.615 33.420 31.823 -0.030 0.000 1.001 177 V HN 1.011 nan 8.190 nan 0.000 0.431 178 E N 1.386 121.577 120.200 -0.015 0.000 2.416 178 E HA 0.401 4.751 4.350 0.000 0.000 0.273 178 E C -1.533 175.061 176.600 -0.011 0.000 0.935 178 E CA -0.956 55.437 56.400 -0.012 0.000 0.784 178 E CB 2.305 31.998 29.700 -0.013 0.000 1.301 178 E HN 0.664 nan 8.360 nan 0.000 0.454 179 D N 0.558 120.953 120.400 -0.009 0.000 2.360 179 D HA 0.208 4.848 4.640 0.000 0.000 0.242 179 D C 0.116 176.410 176.300 -0.010 0.000 1.184 179 D CA 0.053 54.048 54.000 -0.009 0.000 0.930 179 D CB 0.887 41.682 40.800 -0.008 0.000 1.161 179 D HN 0.458 nan 8.370 nan 0.000 0.447 180 G N -1.067 107.727 108.800 -0.009 0.000 2.400 180 G HA2 0.303 4.263 3.960 0.000 0.000 0.301 180 G HA3 0.303 4.263 3.960 0.000 0.000 0.301 180 G C 1.026 175.921 174.900 -0.009 0.000 1.154 180 G CA -0.382 44.713 45.100 -0.009 0.000 0.852 180 G HN 0.426 nan 8.290 nan 0.000 0.511 181 T N -1.114 113.434 114.554 -0.009 0.000 2.978 181 T HA 0.429 4.779 4.350 0.000 0.000 0.262 181 T C 1.316 176.011 174.700 -0.008 0.000 1.063 181 T CA 1.157 63.252 62.100 -0.008 0.000 1.140 181 T CB 0.100 68.963 68.868 -0.009 0.000 0.886 181 T HN 1.451 nan 8.240 nan 0.000 0.470 182 G N 0.739 109.534 108.800 -0.007 0.000 2.600 182 G HA2 0.297 4.257 3.960 0.000 0.000 0.103 182 G HA3 0.297 4.257 3.960 0.000 0.000 0.103 182 G C -0.037 174.859 174.900 -0.007 0.000 1.090 182 G CA -0.162 44.934 45.100 -0.007 0.000 1.090 182 G HN 0.199 nan 8.290 nan 0.000 0.500 183 L N 0.388 121.607 121.223 -0.006 0.000 2.141 183 L HA 0.310 4.650 4.340 0.000 0.000 0.209 183 L C 0.896 177.762 176.870 -0.007 0.000 1.094 183 L CA 1.760 56.596 54.840 -0.006 0.000 0.763 183 L CB -0.294 41.762 42.059 -0.006 0.000 0.908 183 L HN 0.400 nan 8.230 nan 0.000 0.437 184 Q N 0.565 120.361 119.800 -0.007 0.000 2.266 184 Q HA 0.227 4.567 4.340 0.000 0.000 0.261 184 Q C -0.915 175.080 176.000 -0.008 0.000 0.985 184 Q CA -0.561 55.237 55.803 -0.007 0.000 0.873 184 Q CB 1.344 30.078 28.738 -0.007 0.000 1.306 184 Q HN 0.252 nan 8.270 nan 0.000 0.447 185 D N 1.885 122.280 120.400 -0.009 0.000 2.414 185 D HA 0.113 4.753 4.640 0.000 0.000 0.242 185 D C -0.214 176.079 176.300 -0.010 0.000 1.129 185 D CA 0.516 54.510 54.000 -0.010 0.000 0.885 185 D CB 1.140 41.933 40.800 -0.011 0.000 1.198 185 D HN 0.330 nan 8.370 nan 0.000 0.437 186 E N 0.619 120.812 120.200 -0.011 0.000 2.359 186 E HA 0.681 5.031 4.350 0.000 0.000 0.266 186 E C -0.766 175.827 176.600 -0.012 0.000 0.920 186 E CA -0.896 55.498 56.400 -0.011 0.000 0.788 186 E CB 2.783 32.477 29.700 -0.010 0.000 1.279 186 E HN 0.191 nan 8.360 nan 0.000 0.438 187 L N 1.716 122.932 121.223 -0.012 0.000 2.543 187 L HA 0.395 4.735 4.340 0.000 0.000 0.265 187 L C -1.843 175.020 176.870 -0.011 0.000 0.945 187 L CA -0.377 54.455 54.840 -0.013 0.000 0.869 187 L CB 1.511 43.562 42.059 -0.013 0.000 1.294 187 L HN 0.584 nan 8.230 nan 0.000 0.405 188 D N 3.131 123.524 120.400 -0.011 0.000 2.566 188 D HA 0.665 5.305 4.640 0.000 0.000 0.254 188 D C -1.135 175.159 176.300 -0.010 0.000 1.090 188 D CA -0.301 53.693 54.000 -0.010 0.000 1.034 188 D CB 2.857 43.651 40.800 -0.010 0.000 1.434 188 D HN 0.300 nan 8.370 nan 0.000 0.509 189 V N -2.185 117.725 119.914 -0.008 0.000 2.789 189 V HA 0.869 4.989 4.120 0.000 0.000 0.311 189 V C -0.622 175.469 176.094 -0.005 0.000 1.073 189 V CA -0.691 61.605 62.300 -0.007 0.000 0.921 189 V CB 1.697 33.516 31.823 -0.006 0.000 1.009 189 V HN 0.420 nan 8.190 nan 0.000 0.426 190 V N 1.740 121.652 119.914 -0.004 0.000 3.147 190 V HA 0.560 4.680 4.120 0.000 0.000 0.299 190 V C -0.616 175.479 176.094 0.002 0.000 1.302 190 V CA -0.424 61.875 62.300 -0.002 0.000 1.015 190 V CB 2.372 34.193 31.823 -0.004 0.000 1.086 190 V HN 1.155 nan 8.190 nan 0.000 0.437 191 E N 2.007 122.209 120.200 0.004 0.000 2.534 191 E HA 0.489 4.839 4.350 0.000 0.000 0.264 191 E C 0.327 176.936 176.600 0.014 0.000 0.981 191 E CA 1.856 58.261 56.400 0.009 0.000 0.948 191 E CB 0.599 30.304 29.700 0.009 0.000 0.934 191 E HN 1.268 nan 8.360 nan 0.000 0.459 192 G N 0.965 109.779 108.800 0.023 0.000 2.321 192 G HA2 0.374 4.334 3.960 0.000 0.000 0.298 192 G HA3 0.374 4.334 3.960 0.000 0.000 0.298 192 G C -1.552 173.379 174.900 0.052 0.000 1.385 192 G CA -0.804 44.316 45.100 0.034 0.000 0.856 192 G HN 0.440 nan 8.290 nan 0.000 0.584 193 M N 0.501 120.147 119.600 0.078 0.000 2.371 193 M HA 0.696 5.176 4.480 0.000 0.000 0.287 193 M C -1.627 174.764 176.300 0.151 0.000 1.149 193 M CA -0.645 54.737 55.300 0.138 0.000 0.929 193 M CB 2.344 35.056 32.600 0.188 0.000 1.683 193 M HN 0.752 nan 8.290 nan 0.000 0.470 194 Q N 4.301 124.202 119.800 0.169 0.000 2.315 194 Q HA 0.769 5.109 4.340 0.000 0.000 0.273 194 Q C -2.131 173.974 176.000 0.175 0.000 1.053 194 Q CA -0.628 55.196 55.803 0.036 0.000 0.817 194 Q CB 2.290 31.024 28.738 -0.006 0.000 1.326 194 Q HN 0.648 nan 8.270 nan 0.000 0.423 195 F N -0.249 119.716 119.950 0.024 0.000 2.719 195 F HA 0.434 4.962 4.527 0.001 0.000 0.309 195 F C -0.676 175.138 175.800 0.025 0.000 1.138 195 F CA -1.068 56.948 58.000 0.027 0.000 0.943 195 F CB 0.892 39.912 39.000 0.033 0.000 1.304 195 F HN 0.420 nan 8.300 nan 0.000 0.445 196 D N -0.122 120.400 120.400 0.204 0.000 2.352 196 D HA 0.083 4.723 4.640 0.000 0.000 0.232 196 D C -0.003 176.335 176.300 0.065 0.000 1.055 196 D CA 0.375 54.425 54.000 0.083 0.000 0.891 196 D CB -0.141 40.712 40.800 0.089 0.000 0.897 196 D HN 0.202 nan 8.370 nan 0.000 0.529 197 R N 0.689 121.275 120.500 0.143 0.000 2.389 197 R HA 0.558 4.899 4.340 0.000 0.000 0.295 197 R C 0.805 177.080 176.300 -0.041 0.000 1.075 197 R CA -0.149 56.014 56.100 0.105 0.000 1.005 197 R CB 0.932 31.402 30.300 0.284 0.000 0.987 197 R HN 0.074 nan 8.270 nan 0.000 0.452 198 G N 1.401 110.143 108.800 -0.095 0.000 2.568 198 G HA2 0.317 4.277 3.960 0.000 0.000 0.293 198 G HA3 0.317 4.277 3.960 0.000 0.000 0.293 198 G C -0.892 173.948 174.900 -0.100 0.000 1.347 198 G CA -0.653 44.310 45.100 -0.229 0.000 1.039 198 G HN 0.572 nan 8.290 nan 0.000 0.523 199 Y N -1.492 118.853 120.300 0.075 0.000 2.511 199 Y HA 0.357 4.907 4.550 0.000 0.000 0.347 199 Y C 1.107 177.082 175.900 0.125 0.000 1.257 199 Y CA -1.134 57.066 58.100 0.166 0.000 1.469 199 Y CB 0.223 38.812 38.460 0.215 0.000 1.353 199 Y HN 0.110 nan 8.280 nan 0.000 0.617 200 L N 1.141 122.641 121.223 0.462 0.000 2.418 200 L HA 0.154 4.495 4.340 0.000 0.000 0.218 200 L C 0.714 177.623 176.870 0.065 0.000 1.125 200 L CA 1.067 56.070 54.840 0.272 0.000 0.835 200 L CB -0.400 41.837 42.059 0.298 0.000 0.953 200 L HN 0.759 nan 8.230 nan 0.000 0.454 201 S N -2.123 113.421 115.700 -0.260 0.000 2.543 201 S HA 0.419 4.889 4.470 0.000 0.000 0.271 201 S C -2.264 171.737 174.600 -0.998 0.000 1.148 201 S CA -0.952 56.839 58.200 -0.680 0.000 0.914 201 S CB 1.583 64.129 63.200 -1.091 0.000 1.096 201 S HN -0.225 nan 8.310 nan 0.000 0.471 202 P HA -0.006 nan 4.420 nan 0.000 0.222 202 P C 0.358 177.180 177.300 -0.797 0.000 1.147 202 P CA 0.986 63.496 63.100 -0.983 0.000 0.790 202 P CB -0.125 31.154 31.700 -0.703 0.000 0.780 203 Y N -2.537 117.461 120.300 -0.503 0.000 2.632 203 Y HA -0.040 4.510 4.550 0.000 0.000 0.301 203 Y C 1.397 177.235 175.900 -0.103 0.000 1.172 203 Y CA 0.078 58.008 58.100 -0.282 0.000 1.328 203 Y CB -0.756 37.573 38.460 -0.219 0.000 1.016 203 Y HN -0.066 nan 8.280 nan 0.000 0.529 204 F N -0.676 119.206 119.950 -0.113 0.000 2.743 204 F HA 0.119 4.647 4.527 0.001 0.000 0.297 204 F C 0.919 176.648 175.800 -0.118 0.000 1.131 204 F CA -0.720 57.224 58.000 -0.093 0.000 1.426 204 F CB -0.768 38.181 39.000 -0.086 0.000 1.116 204 F HN -0.096 nan 8.300 nan 0.000 0.583 205 I N 3.390 123.923 120.570 -0.062 0.000 2.455 205 I HA -0.079 4.091 4.170 0.000 0.000 0.303 205 I C 1.212 177.323 176.117 -0.010 0.000 1.180 205 I CA -0.040 61.220 61.300 -0.068 0.000 1.469 205 I CB -0.205 37.692 38.000 -0.171 0.000 1.480 205 I HN 0.119 nan 8.210 nan 0.000 0.669 206 N N 5.210 123.925 118.700 0.025 0.000 2.463 206 N HA -0.083 4.657 4.740 0.000 0.000 0.181 206 N C 0.287 175.804 175.510 0.012 0.000 1.078 206 N CA 0.503 53.566 53.050 0.022 0.000 0.902 206 N CB 0.308 38.813 38.487 0.029 0.000 0.970 206 N HN 0.282 nan 8.380 nan 0.000 0.451 207 K N 1.550 121.957 120.400 0.013 0.000 2.724 207 K HA 0.284 4.605 4.320 0.000 0.000 0.198 207 K C -1.909 174.695 176.600 0.007 0.000 1.099 207 K CA -1.632 54.662 56.287 0.011 0.000 1.025 207 K CB 1.732 34.243 32.500 0.018 0.000 1.509 207 K HN 0.139 nan 8.250 nan 0.000 0.564 208 P HA -0.097 nan 4.420 nan 0.000 0.223 208 P C 0.821 178.117 177.300 -0.007 0.000 1.151 208 P CA 0.819 63.911 63.100 -0.014 0.000 0.787 208 P CB 0.588 32.273 31.700 -0.025 0.000 0.788 209 E N -0.365 119.833 120.200 -0.002 0.000 2.204 209 E HA -0.062 4.288 4.350 0.000 0.000 0.194 209 E C 1.736 178.341 176.600 0.008 0.000 0.989 209 E CA 1.168 57.569 56.400 0.001 0.000 0.824 209 E CB -0.603 29.097 29.700 0.000 0.000 0.756 209 E HN 0.270 nan 8.360 nan 0.000 0.477 210 T N -1.101 113.463 114.554 0.016 0.000 2.937 210 T HA 0.073 4.423 4.350 0.000 0.000 0.260 210 T C 1.267 175.986 174.700 0.031 0.000 1.051 210 T CA 1.183 63.301 62.100 0.029 0.000 1.141 210 T CB 0.091 68.982 68.868 0.038 0.000 0.879 210 T HN 0.375 nan 8.240 nan 0.000 0.459 211 G N 1.106 109.921 108.800 0.025 0.000 2.131 211 G HA2 0.119 4.079 3.960 0.000 0.000 0.201 211 G HA3 0.119 4.079 3.960 0.000 0.000 0.201 211 G C -0.008 174.936 174.900 0.074 0.000 1.000 211 G CA -0.121 44.998 45.100 0.031 0.000 0.680 211 G HN 0.888 nan 8.290 nan 0.000 0.514 212 A N -1.054 121.809 122.820 0.071 0.000 2.435 212 A HA 0.934 5.254 4.320 0.000 0.000 0.296 212 A C -0.092 177.543 177.584 0.086 0.000 1.147 212 A CA -0.278 51.823 52.037 0.107 0.000 0.775 212 A CB 1.859 20.911 19.000 0.087 0.000 1.340 212 A HN 1.251 nan 8.150 nan 0.000 0.427 213 V N 1.007 120.992 119.914 0.120 0.000 2.465 213 V HA 0.402 4.522 4.120 0.000 0.000 0.279 213 V C -0.193 175.938 176.094 0.062 0.000 1.045 213 V CA -0.144 62.212 62.300 0.093 0.000 0.938 213 V CB 0.917 32.823 31.823 0.139 0.000 0.986 213 V HN 0.855 nan 8.190 nan 0.000 0.467 214 E N 4.995 125.218 120.200 0.039 0.000 2.279 214 E HA 0.481 4.831 4.350 0.000 0.000 0.252 214 E C -1.403 175.204 176.600 0.012 0.000 0.894 214 E CA -0.464 55.949 56.400 0.022 0.000 0.785 214 E CB 2.049 31.758 29.700 0.015 0.000 1.237 214 E HN 0.539 nan 8.360 nan 0.000 0.418 215 L N 3.344 124.570 121.223 0.005 0.000 2.282 215 L HA 0.327 4.667 4.340 0.000 0.000 0.288 215 L C 0.099 176.961 176.870 -0.013 0.000 1.033 215 L CA -0.833 54.004 54.840 -0.006 0.000 0.807 215 L CB 0.944 42.996 42.059 -0.012 0.000 1.209 215 L HN 0.344 nan 8.230 nan 0.000 0.423 216 E N 2.265 122.454 120.200 -0.018 0.000 2.174 216 E HA 0.168 4.519 4.350 0.000 0.000 0.282 216 E C 0.677 177.251 176.600 -0.043 0.000 0.992 216 E CA -0.048 56.336 56.400 -0.026 0.000 0.803 216 E CB 1.470 31.156 29.700 -0.022 0.000 1.090 216 E HN 0.703 nan 8.360 nan 0.000 0.396 217 S N 0.192 115.858 115.700 -0.056 0.000 3.521 217 S HA -0.152 4.319 4.470 0.000 0.000 0.328 217 S C -2.248 172.270 174.600 -0.136 0.000 1.165 217 S CA 0.441 58.587 58.200 -0.090 0.000 0.941 217 S CB -2.211 60.934 63.200 -0.092 0.000 0.951 217 S HN 0.368 nan 8.310 nan 0.000 0.539 218 P HA 0.631 nan 4.420 nan 0.000 0.282 218 P C 0.297 177.518 177.300 -0.133 0.000 1.287 218 P CA -0.828 62.217 63.100 -0.092 0.000 0.792 218 P CB 0.281 31.971 31.700 -0.016 0.000 1.163 219 F N -0.445 119.498 119.950 -0.013 0.000 2.380 219 F HA 0.400 4.927 4.527 0.000 0.000 0.325 219 F C 0.732 176.525 175.800 -0.012 0.000 1.136 219 F CA -0.081 57.913 58.000 -0.010 0.000 1.171 219 F CB 0.510 39.503 39.000 -0.011 0.000 1.230 219 F HN -0.043 nan 8.300 nan 0.000 0.554 220 I N 3.679 124.396 120.570 0.245 0.000 2.533 220 I HA 0.260 4.430 4.170 0.000 0.000 0.290 220 I C -1.381 174.791 176.117 0.092 0.000 1.056 220 I CA -0.812 60.563 61.300 0.125 0.000 1.057 220 I CB 2.035 40.095 38.000 0.100 0.000 1.240 220 I HN 0.238 nan 8.210 nan 0.000 0.423 221 L N 7.432 128.686 121.223 0.052 0.000 2.313 221 L HA 0.614 4.954 4.340 0.000 0.000 0.283 221 L C -1.226 175.662 176.870 0.031 0.000 1.013 221 L CA -0.539 54.315 54.840 0.024 0.000 0.816 221 L CB 1.605 43.664 42.059 0.001 0.000 1.236 221 L HN 0.544 nan 8.230 nan 0.000 0.419 222 L N 4.792 126.031 121.223 0.026 0.000 2.322 222 L HA 0.717 5.057 4.340 0.000 0.000 0.281 222 L C -0.114 176.768 176.870 0.020 0.000 1.014 222 L CA -0.543 54.314 54.840 0.028 0.000 0.815 222 L CB 1.794 43.869 42.059 0.027 0.000 1.247 222 L HN 0.718 nan 8.230 nan 0.000 0.421 223 A N 1.067 123.901 122.820 0.024 0.000 2.343 223 A HA 0.354 4.674 4.320 0.000 0.000 0.316 223 A C 0.014 177.610 177.584 0.020 0.000 1.104 223 A CA -0.477 51.572 52.037 0.020 0.000 0.768 223 A CB 1.276 20.291 19.000 0.025 0.000 1.213 223 A HN 0.772 nan 8.150 nan 0.000 0.456 224 D N 1.211 121.620 120.400 0.015 0.000 2.371 224 D HA 0.033 4.674 4.640 0.000 0.000 0.234 224 D C 0.573 176.885 176.300 0.020 0.000 1.049 224 D CA 1.044 55.052 54.000 0.014 0.000 0.907 224 D CB -0.078 40.727 40.800 0.008 0.000 0.891 224 D HN 0.679 nan 8.370 nan 0.000 0.531 225 K N -1.903 118.511 120.400 0.025 0.000 2.367 225 K HA 0.480 4.800 4.320 0.000 0.000 0.272 225 K C -1.019 175.602 176.600 0.035 0.000 1.046 225 K CA -1.133 55.172 56.287 0.029 0.000 0.895 225 K CB 0.849 33.362 32.500 0.023 0.000 1.512 225 K HN -0.373 nan 8.250 nan 0.000 0.433 226 K N 0.875 121.296 120.400 0.035 0.000 2.249 226 K HA 0.357 4.677 4.320 0.000 0.000 0.280 226 K C -0.308 176.311 176.600 0.032 0.000 1.033 226 K CA -0.350 55.958 56.287 0.036 0.000 0.946 226 K CB 0.481 33.001 32.500 0.033 0.000 1.005 226 K HN 0.392 nan 8.250 nan 0.000 0.469 227 I N 1.105 121.696 120.570 0.035 0.000 2.750 227 I HA 0.297 4.467 4.170 0.000 0.000 0.308 227 I C 0.858 176.994 176.117 0.033 0.000 1.016 227 I CA -0.261 61.058 61.300 0.032 0.000 1.098 227 I CB 1.709 39.731 38.000 0.036 0.000 1.279 227 I HN 0.862 nan 8.210 nan 0.000 0.454 228 S N 1.720 117.437 115.700 0.028 0.000 2.660 228 S HA 0.070 4.540 4.470 0.000 0.000 0.262 228 S C 0.112 174.726 174.600 0.024 0.000 1.006 228 S CA -0.443 57.773 58.200 0.027 0.000 1.174 228 S CB 0.260 63.474 63.200 0.022 0.000 0.939 228 S HN 0.706 nan 8.310 nan 0.000 0.438 229 N N 1.116 119.828 118.700 0.020 0.000 2.430 229 N HA 0.336 5.076 4.740 0.000 0.000 0.298 229 N C 0.806 176.325 175.510 0.015 0.000 1.130 229 N CA -0.147 52.912 53.050 0.016 0.000 0.894 229 N CB 1.602 40.096 38.487 0.012 0.000 1.209 229 N HN 0.187 nan 8.380 nan 0.000 0.503 230 I N 1.349 121.926 120.570 0.013 0.000 2.916 230 I HA -0.054 4.116 4.170 0.000 0.000 0.267 230 I C 2.329 178.450 176.117 0.006 0.000 1.263 230 I CA 0.656 61.962 61.300 0.011 0.000 1.471 230 I CB -0.950 37.056 38.000 0.010 0.000 1.089 230 I HN 0.647 nan 8.210 nan 0.000 0.468 231 R N 1.850 122.353 120.500 0.005 0.000 2.115 231 R HA -0.276 4.064 4.340 0.000 0.000 0.239 231 R C 1.969 178.268 176.300 -0.001 0.000 1.133 231 R CA 2.537 58.637 56.100 0.001 0.000 0.935 231 R CB -0.401 29.900 30.300 0.002 0.000 0.853 231 R HN 0.426 nan 8.270 nan 0.000 0.433 232 E N -0.267 119.933 120.200 0.001 0.000 2.331 232 E HA -0.178 4.172 4.350 0.000 0.000 0.199 232 E C 1.727 178.324 176.600 -0.005 0.000 1.008 232 E CA 1.592 57.992 56.400 -0.001 0.000 0.843 232 E CB -0.017 29.686 29.700 0.005 0.000 0.761 232 E HN 0.344 nan 8.360 nan 0.000 0.507 233 M N -1.078 118.520 119.600 -0.003 0.000 2.557 233 M HA 0.110 4.590 4.480 0.000 0.000 0.262 233 M C 1.750 178.042 176.300 -0.014 0.000 1.168 233 M CA 0.710 56.006 55.300 -0.007 0.000 1.194 233 M CB -0.203 32.399 32.600 0.003 0.000 1.311 233 M HN 0.017 nan 8.290 nan 0.000 0.489 234 L N 0.639 121.856 121.223 -0.010 0.000 1.978 234 L HA -0.230 4.110 4.340 0.000 0.000 0.218 234 L C -0.404 176.454 176.870 -0.020 0.000 1.075 234 L CA 1.820 56.653 54.840 -0.012 0.000 0.767 234 L CB -2.238 39.816 42.059 -0.008 0.000 0.890 234 L HN 0.225 nan 8.230 nan 0.000 0.434 235 P HA -0.091 nan 4.420 nan 0.000 0.218 235 P C 1.748 179.019 177.300 -0.048 0.000 1.152 235 P CA 1.624 64.705 63.100 -0.032 0.000 0.826 235 P CB -0.152 31.531 31.700 -0.030 0.000 0.790 236 V N -2.386 117.494 119.914 -0.056 0.000 2.548 236 V HA -0.146 3.975 4.120 0.000 0.000 0.249 236 V C 2.491 178.535 176.094 -0.083 0.000 1.055 236 V CA 1.132 63.380 62.300 -0.086 0.000 1.065 236 V CB -1.954 29.817 31.823 -0.088 0.000 0.681 236 V HN -0.077 nan 8.190 nan 0.000 0.462 237 L N 1.037 122.230 121.223 -0.051 0.000 2.017 237 L HA -0.118 4.222 4.340 0.000 0.000 0.208 237 L C 2.601 179.452 176.870 -0.031 0.000 1.073 237 L CA 2.548 57.367 54.840 -0.035 0.000 0.745 237 L CB -0.898 41.150 42.059 -0.019 0.000 0.894 237 L HN 0.501 nan 8.230 nan 0.000 0.432 238 E N -0.914 119.268 120.200 -0.029 0.000 2.153 238 E HA -0.212 4.138 4.350 0.000 0.000 0.194 238 E C 2.064 178.645 176.600 -0.032 0.000 0.988 238 E CA 0.947 57.332 56.400 -0.024 0.000 0.811 238 E CB -0.103 29.585 29.700 -0.020 0.000 0.746 238 E HN 0.643 nan 8.360 nan 0.000 0.466 239 A N 0.657 123.443 122.820 -0.056 0.000 1.877 239 A HA -0.156 4.164 4.320 0.000 0.000 0.216 239 A C 2.399 179.934 177.584 -0.082 0.000 1.186 239 A CA 1.722 53.712 52.037 -0.079 0.000 0.620 239 A CB -0.829 18.099 19.000 -0.121 0.000 0.822 239 A HN 0.300 nan 8.150 nan 0.000 0.443 240 V N -2.604 117.253 119.914 -0.095 0.000 2.667 240 V HA 0.058 4.178 4.120 0.000 0.000 0.252 240 V C 2.452 178.573 176.094 0.045 0.000 1.065 240 V CA 1.578 63.863 62.300 -0.024 0.000 1.083 240 V CB -1.335 30.484 31.823 -0.007 0.000 0.692 240 V HN 0.492 nan 8.190 nan 0.000 0.468 241 A N 0.927 123.756 122.820 0.015 0.000 1.873 241 A HA -0.148 4.172 4.320 0.000 0.000 0.215 241 A C 2.316 179.914 177.584 0.024 0.000 1.186 241 A CA 2.069 54.119 52.037 0.021 0.000 0.616 241 A CB -0.587 18.418 19.000 0.007 0.000 0.823 241 A HN 0.575 nan 8.150 nan 0.000 0.442 242 K N -0.294 120.115 120.400 0.014 0.000 2.280 242 K HA 0.004 4.324 4.320 0.000 0.000 0.202 242 K C 1.981 178.603 176.600 0.036 0.000 1.047 242 K CA 0.895 57.193 56.287 0.017 0.000 0.942 242 K CB -0.222 32.280 32.500 0.004 0.000 0.739 242 K HN 0.455 nan 8.250 nan 0.000 0.457 243 A N 0.612 123.469 122.820 0.062 0.000 2.119 243 A HA 0.128 4.448 4.320 0.000 0.000 0.216 243 A C 1.308 178.956 177.584 0.107 0.000 1.152 243 A CA 0.865 52.973 52.037 0.117 0.000 0.708 243 A CB -0.275 18.867 19.000 0.237 0.000 0.805 243 A HN 0.366 nan 8.150 nan 0.000 0.460 244 G N -0.551 108.298 108.800 0.081 0.000 2.291 244 G HA2 -0.203 3.757 3.960 0.000 0.000 0.271 244 G HA3 -0.203 3.757 3.960 0.000 0.000 0.271 244 G C -0.181 174.756 174.900 0.062 0.000 1.099 244 G CA 0.507 45.641 45.100 0.057 0.000 0.919 244 G HN 0.572 nan 8.290 nan 0.000 0.496 245 K N -0.222 120.237 120.400 0.099 0.000 2.469 245 K HA 0.492 4.812 4.320 0.000 0.000 0.254 245 K C -2.544 174.108 176.600 0.087 0.000 0.939 245 K CA -2.122 54.218 56.287 0.090 0.000 0.812 245 K CB 2.569 35.148 32.500 0.132 0.000 1.301 245 K HN -0.011 nan 8.250 nan 0.000 0.433 246 P HA 0.005 nan 4.420 nan 0.000 0.270 246 P C -1.147 176.191 177.300 0.062 0.000 1.221 246 P CA -0.358 62.761 63.100 0.031 0.000 0.788 246 P CB 0.467 32.168 31.700 0.003 0.000 0.904 247 L N 2.281 123.517 121.223 0.023 0.000 2.505 247 L HA 0.408 4.748 4.340 0.000 0.000 0.266 247 L C -1.815 175.033 176.870 -0.037 0.000 0.954 247 L CA -0.734 54.128 54.840 0.037 0.000 0.852 247 L CB 1.748 43.828 42.059 0.035 0.000 1.282 247 L HN 0.273 nan 8.230 nan 0.000 0.403 248 L N 6.461 127.676 121.223 -0.012 0.000 2.287 248 L HA 0.522 4.862 4.340 0.000 0.000 0.287 248 L C -0.690 176.173 176.870 -0.011 0.000 1.022 248 L CA -0.388 54.426 54.840 -0.043 0.000 0.814 248 L CB 1.534 43.587 42.059 -0.012 0.000 1.217 248 L HN 0.598 nan 8.230 nan 0.000 0.420 249 I N 6.248 126.800 120.570 -0.031 0.000 2.331 249 I HA 0.329 4.499 4.170 0.000 0.000 0.292 249 I C 0.017 176.164 176.117 0.050 0.000 0.998 249 I CA -0.383 60.923 61.300 0.010 0.000 1.267 249 I CB 1.452 39.454 38.000 0.003 0.000 1.386 249 I HN 0.450 nan 8.210 nan 0.000 0.476 250 I N 6.238 126.848 120.570 0.067 0.000 2.355 250 I HA 0.674 4.845 4.170 0.000 0.000 0.288 250 I C 0.089 176.249 176.117 0.071 0.000 0.999 250 I CA -0.227 61.130 61.300 0.094 0.000 1.163 250 I CB 1.479 39.546 38.000 0.111 0.000 1.316 250 I HN 0.653 nan 8.210 nan 0.000 0.454 251 A N 5.060 127.927 122.820 0.078 0.000 2.569 251 A HA 0.503 4.823 4.320 0.000 0.000 0.290 251 A C 0.520 178.146 177.584 0.070 0.000 1.136 251 A CA -0.520 51.555 52.037 0.063 0.000 0.710 251 A CB 1.566 20.602 19.000 0.059 0.000 1.303 251 A HN 0.649 nan 8.150 nan 0.000 0.413 252 E N -0.032 120.204 120.200 0.061 0.000 2.204 252 E HA -0.061 4.289 4.350 0.000 0.000 0.194 252 E C -0.464 176.173 176.600 0.062 0.000 0.989 252 E CA 1.330 57.771 56.400 0.068 0.000 0.824 252 E CB 0.233 29.972 29.700 0.065 0.000 0.756 252 E HN 0.570 nan 8.360 nan 0.000 0.477 253 D N -1.872 118.564 120.400 0.059 0.000 2.742 253 D HA 0.143 4.784 4.640 0.000 0.000 0.262 253 D C -1.723 174.614 176.300 0.062 0.000 1.240 253 D CA -0.459 53.576 54.000 0.058 0.000 0.752 253 D CB 1.902 42.727 40.800 0.042 0.000 1.290 253 D HN -0.276 nan 8.370 nan 0.000 0.420 254 V N 2.159 122.115 119.914 0.070 0.000 2.462 254 V HA 0.374 4.494 4.120 0.000 0.000 0.288 254 V C 0.036 176.170 176.094 0.066 0.000 1.020 254 V CA -0.715 61.627 62.300 0.071 0.000 0.857 254 V CB 1.495 33.373 31.823 0.092 0.000 1.013 254 V HN 0.383 nan 8.190 nan 0.000 0.431 255 E N 2.114 122.343 120.200 0.050 0.000 2.254 255 E HA 0.689 5.040 4.350 0.000 0.000 0.261 255 E C 1.039 177.663 176.600 0.039 0.000 1.051 255 E CA 0.171 56.596 56.400 0.041 0.000 0.902 255 E CB 1.802 31.520 29.700 0.030 0.000 1.168 255 E HN 0.858 nan 8.360 nan 0.000 0.423 256 G N 1.475 110.294 108.800 0.032 0.000 2.596 256 G HA2 -0.459 3.501 3.960 0.000 0.000 0.304 256 G HA3 -0.459 3.501 3.960 0.000 0.000 0.304 256 G C 0.943 175.860 174.900 0.028 0.000 1.189 256 G CA 0.823 45.939 45.100 0.026 0.000 0.986 256 G HN 0.711 nan 8.290 nan 0.000 0.548 257 E N 0.834 121.049 120.200 0.025 0.000 2.072 257 E HA 0.093 4.443 4.350 0.000 0.000 0.190 257 E C 2.952 179.571 176.600 0.031 0.000 0.982 257 E CA 1.565 57.979 56.400 0.023 0.000 0.803 257 E CB -0.386 29.324 29.700 0.017 0.000 0.755 257 E HN 0.839 nan 8.360 nan 0.000 0.453 258 A N 1.428 124.270 122.820 0.036 0.000 1.972 258 A HA -0.151 4.169 4.320 0.000 0.000 0.219 258 A C 2.160 179.785 177.584 0.069 0.000 1.169 258 A CA 1.080 53.144 52.037 0.046 0.000 0.635 258 A CB -0.586 18.440 19.000 0.043 0.000 0.810 258 A HN 0.422 nan 8.150 nan 0.000 0.446 259 L N -0.833 120.435 121.223 0.074 0.000 2.007 259 L HA -0.048 4.293 4.340 0.000 0.000 0.205 259 L C 2.852 179.772 176.870 0.084 0.000 1.073 259 L CA 1.502 56.402 54.840 0.100 0.000 0.744 259 L CB -0.465 41.645 42.059 0.085 0.000 0.898 259 L HN 0.351 nan 8.230 nan 0.000 0.435 260 A N -0.254 122.596 122.820 0.050 0.000 1.883 260 A HA -0.267 4.053 4.320 0.000 0.000 0.217 260 A C 2.347 179.946 177.584 0.025 0.000 1.186 260 A CA 2.660 54.714 52.037 0.028 0.000 0.624 260 A CB -1.405 17.604 19.000 0.016 0.000 0.822 260 A HN 0.657 nan 8.150 nan 0.000 0.444 261 T N -1.167 113.405 114.554 0.030 0.000 2.746 261 T HA -0.094 4.256 4.350 0.000 0.000 0.267 261 T C 1.809 176.534 174.700 0.042 0.000 1.039 261 T CA 1.522 63.637 62.100 0.025 0.000 1.142 261 T CB -0.615 68.266 68.868 0.022 0.000 0.866 261 T HN 0.308 nan 8.240 nan 0.000 0.444 262 L N 0.618 121.886 121.223 0.076 0.000 2.156 262 L HA 0.012 4.352 4.340 0.000 0.000 0.208 262 L C 2.930 179.903 176.870 0.172 0.000 1.095 262 L CA 0.532 55.443 54.840 0.118 0.000 0.770 262 L CB -0.633 41.513 42.059 0.144 0.000 0.914 262 L HN 0.179 nan 8.230 nan 0.000 0.439 263 V N -0.499 119.497 119.914 0.137 0.000 2.295 263 V HA -0.235 3.885 4.120 0.000 0.000 0.246 263 V C 2.440 178.512 176.094 -0.037 0.000 1.049 263 V CA 1.475 63.811 62.300 0.061 0.000 1.024 263 V CB -0.173 31.652 31.823 0.005 0.000 0.648 263 V HN 0.192 nan 8.190 nan 0.000 0.447 264 V N 0.678 120.568 119.914 -0.039 0.000 2.490 264 V HA -0.215 3.905 4.120 0.000 0.000 0.250 264 V C 2.324 178.397 176.094 -0.035 0.000 1.061 264 V CA 2.138 64.400 62.300 -0.064 0.000 1.064 264 V CB -0.885 30.912 31.823 -0.045 0.000 0.670 264 V HN 0.599 nan 8.190 nan 0.000 0.461 265 N N 0.249 118.952 118.700 0.005 0.000 2.396 265 N HA -0.119 4.621 4.740 0.000 0.000 0.180 265 N C 1.833 177.361 175.510 0.030 0.000 1.028 265 N CA 1.771 54.831 53.050 0.017 0.000 0.893 265 N CB -0.022 38.482 38.487 0.028 0.000 0.967 265 N HN 0.706 nan 8.380 nan 0.000 0.440 266 T N -1.516 113.072 114.554 0.057 0.000 2.818 266 T HA 0.045 4.395 4.350 0.000 0.000 0.246 266 T C 1.257 175.971 174.700 0.024 0.000 1.036 266 T CA 0.182 62.336 62.100 0.090 0.000 1.160 266 T CB -0.481 68.529 68.868 0.237 0.000 0.869 266 T HN 0.238 nan 8.240 nan 0.000 0.419 267 M N 1.551 121.106 119.600 -0.074 0.000 2.194 267 M HA 0.487 4.968 4.480 0.000 0.000 0.347 267 M C 0.911 177.140 176.300 -0.118 0.000 1.439 267 M CA -0.259 54.947 55.300 -0.158 0.000 1.131 267 M CB 0.623 32.913 32.600 -0.517 0.000 1.733 267 M HN 0.513 nan 8.290 nan 0.000 0.467 268 R N 2.097 122.560 120.500 -0.063 0.000 4.037 268 R HA -0.158 4.182 4.340 0.000 0.000 0.418 268 R C 0.445 176.726 176.300 -0.032 0.000 0.701 268 R CA 1.538 57.611 56.100 -0.045 0.000 1.660 268 R CB -1.893 28.373 30.300 -0.058 0.000 2.238 268 R HN 1.089 nan 8.270 nan 0.000 0.429 269 G N -0.240 108.540 108.800 -0.033 0.000 2.553 269 G HA2 0.397 4.357 3.960 0.000 0.000 0.278 269 G HA3 0.397 4.357 3.960 0.000 0.000 0.278 269 G C 1.058 175.955 174.900 -0.004 0.000 1.349 269 G CA 0.000 45.090 45.100 -0.018 0.000 1.037 269 G HN 0.147 nan 8.290 nan 0.000 0.508 270 I N -0.862 119.709 120.570 0.001 0.000 2.201 270 I HA -0.013 4.157 4.170 0.000 0.000 0.233 270 I C 0.617 176.742 176.117 0.012 0.000 1.067 270 I CA 0.625 61.928 61.300 0.005 0.000 1.354 270 I CB -0.478 37.524 38.000 0.004 0.000 1.108 270 I HN -0.050 nan 8.210 nan 0.000 0.411 271 V N 2.203 122.126 119.914 0.016 0.000 2.432 271 V HA 0.105 4.226 4.120 0.000 0.000 0.271 271 V C 0.073 176.182 176.094 0.024 0.000 1.046 271 V CA -0.540 61.771 62.300 0.017 0.000 0.945 271 V CB 0.857 32.687 31.823 0.012 0.000 0.992 271 V HN 0.217 nan 8.190 nan 0.000 0.471 272 K N 4.301 124.714 120.400 0.022 0.000 2.715 272 K HA 0.160 4.480 4.320 0.000 0.000 0.248 272 K C 0.018 176.608 176.600 -0.017 0.000 1.276 272 K CA -0.008 56.295 56.287 0.025 0.000 1.209 272 K CB -0.599 31.917 32.500 0.025 0.000 1.509 272 K HN 0.692 nan 8.250 nan 0.000 0.261 273 V N -1.646 118.240 119.914 -0.047 0.000 3.264 273 V HA 0.804 4.924 4.120 0.000 0.000 0.304 273 V C 0.325 176.155 176.094 -0.441 0.000 1.086 273 V CA -0.910 61.296 62.300 -0.157 0.000 1.090 273 V CB 1.408 33.159 31.823 -0.120 0.000 1.112 273 V HN 0.345 nan 8.190 nan 0.000 0.472 274 A N 1.071 123.504 122.820 -0.645 0.000 2.594 274 A HA 1.032 5.352 4.320 0.000 0.000 0.291 274 A C -0.473 176.649 177.584 -0.771 0.000 1.105 274 A CA -0.417 50.825 52.037 -1.325 0.000 0.694 274 A CB 1.561 20.151 19.000 -0.683 0.000 1.291 274 A HN 2.506 nan 8.150 nan 0.000 0.410 275 A N -0.254 122.209 122.820 -0.596 0.000 2.520 275 A HA 0.815 5.135 4.320 0.000 0.000 0.298 275 A C -0.760 176.945 177.584 0.202 0.000 1.051 275 A CA 0.033 52.055 52.037 -0.025 0.000 0.690 275 A CB 1.249 20.311 19.000 0.105 0.000 1.281 275 A HN 2.351 nan 8.150 nan 0.000 0.402 276 V N -1.053 118.957 119.914 0.161 0.000 3.007 276 V HA 0.679 4.799 4.120 0.000 0.000 0.311 276 V C -0.492 175.708 176.094 0.176 0.000 1.120 276 V CA -1.199 61.212 62.300 0.185 0.000 0.980 276 V CB 1.589 33.513 31.823 0.167 0.000 1.033 276 V HN 0.886 nan 8.190 nan 0.000 0.429 277 K N 1.794 122.301 120.400 0.178 0.000 2.202 277 K HA 0.703 5.023 4.320 0.000 0.000 0.264 277 K C 0.498 177.225 176.600 0.213 0.000 1.010 277 K CA 0.270 56.655 56.287 0.163 0.000 0.940 277 K CB 1.363 33.938 32.500 0.125 0.000 0.983 277 K HN 1.145 nan 8.250 nan 0.000 0.475 278 A N 3.884 126.781 122.820 0.128 0.000 2.466 278 A HA 0.180 4.500 4.320 0.000 0.000 0.238 278 A C -2.138 175.375 177.584 -0.118 0.000 1.074 278 A CA -1.004 51.055 52.037 0.035 0.000 0.774 278 A CB -0.393 18.620 19.000 0.022 0.000 1.015 278 A HN 0.471 nan 8.150 nan 0.000 0.498 279 P HA 0.351 nan 4.420 nan 0.000 0.270 279 P C 0.728 177.860 177.300 -0.280 0.000 1.242 279 P CA 1.611 64.233 63.100 -0.797 0.000 0.768 279 P CB 0.268 31.247 31.700 -1.201 0.000 0.820 280 G N 3.531 112.272 108.800 -0.100 0.000 2.598 280 G HA2 -0.035 3.925 3.960 0.000 0.000 0.244 280 G HA3 -0.035 3.925 3.960 0.000 0.000 0.244 280 G C -0.688 174.332 174.900 0.201 0.000 1.302 280 G CA 0.062 45.164 45.100 0.004 0.000 0.903 280 G HN 0.724 nan 8.290 nan 0.000 0.575 281 F N -3.906 116.025 119.950 -0.031 0.000 2.900 281 F HA 0.689 5.216 4.527 0.001 0.000 0.321 281 F C 0.867 176.660 175.800 -0.011 0.000 1.160 281 F CA 0.430 58.421 58.000 -0.015 0.000 0.890 281 F CB 0.453 39.452 39.000 -0.002 0.000 1.334 281 F HN 2.582 nan 8.300 nan 0.000 0.459 282 G N 1.386 110.288 108.800 0.170 0.000 2.569 282 G HA2 -0.301 3.659 3.960 0.000 0.000 0.259 282 G HA3 -0.301 3.659 3.960 0.000 0.000 0.259 282 G C 0.175 175.063 174.900 -0.021 0.000 1.263 282 G CA 1.034 46.165 45.100 0.051 0.000 0.928 282 G HN 1.673 nan 8.290 nan 0.000 0.572 283 D N -0.619 119.755 120.400 -0.044 0.000 2.219 283 D HA -0.008 4.632 4.640 0.000 0.000 0.205 283 D C 2.078 178.334 176.300 -0.073 0.000 0.970 283 D CA 1.446 55.419 54.000 -0.045 0.000 0.851 283 D CB -0.051 40.728 40.800 -0.036 0.000 0.943 283 D HN 0.466 nan 8.370 nan 0.000 0.488 284 R N 0.986 121.410 120.500 -0.127 0.000 2.241 284 R HA -0.067 4.273 4.340 0.000 0.000 0.224 284 R C 2.139 178.362 176.300 -0.127 0.000 1.101 284 R CA 1.233 57.247 56.100 -0.144 0.000 0.995 284 R CB -0.494 29.674 30.300 -0.220 0.000 0.870 284 R HN 0.494 nan 8.270 nan 0.000 0.463 285 R N 0.366 120.803 120.500 -0.105 0.000 2.117 285 R HA -0.181 4.159 4.340 0.000 0.000 0.243 285 R C 1.346 177.611 176.300 -0.059 0.000 1.143 285 R CA 1.877 57.937 56.100 -0.066 0.000 0.968 285 R CB -0.446 29.846 30.300 -0.012 0.000 0.863 285 R HN 0.157 nan 8.270 nan 0.000 0.444 286 K N 0.567 120.939 120.400 -0.047 0.000 2.097 286 K HA 0.005 4.326 4.320 0.000 0.000 0.205 286 K C 2.364 178.941 176.600 -0.038 0.000 1.050 286 K CA 1.126 57.392 56.287 -0.034 0.000 0.938 286 K CB -0.159 32.326 32.500 -0.025 0.000 0.718 286 K HN 0.314 nan 8.250 nan 0.000 0.442 287 A N 1.880 124.672 122.820 -0.047 0.000 1.865 287 A HA -0.184 4.136 4.320 0.000 0.000 0.217 287 A C 2.199 179.752 177.584 -0.050 0.000 1.191 287 A CA 1.635 53.645 52.037 -0.045 0.000 0.623 287 A CB -0.410 18.561 19.000 -0.049 0.000 0.826 287 A HN 0.147 nan 8.150 nan 0.000 0.444 288 M N -1.644 117.913 119.600 -0.073 0.000 2.200 288 M HA -0.021 4.460 4.480 0.000 0.000 0.265 288 M C 2.228 178.479 176.300 -0.081 0.000 1.066 288 M CA 0.998 56.241 55.300 -0.094 0.000 1.127 288 M CB -0.738 31.768 32.600 -0.157 0.000 1.379 288 M HN 0.437 nan 8.290 nan 0.000 0.420 289 L N 0.702 121.885 121.223 -0.067 0.000 2.083 289 L HA -0.202 4.139 4.340 0.000 0.000 0.209 289 L C 2.496 179.355 176.870 -0.018 0.000 1.083 289 L CA 1.820 56.637 54.840 -0.038 0.000 0.752 289 L CB -0.576 41.467 42.059 -0.027 0.000 0.899 289 L HN 0.254 nan 8.230 nan 0.000 0.433 290 Q N -0.620 119.168 119.800 -0.020 0.000 2.172 290 Q HA -0.180 4.160 4.340 0.000 0.000 0.200 290 Q C 1.752 177.748 176.000 -0.007 0.000 0.964 290 Q CA 1.703 57.499 55.803 -0.011 0.000 0.855 290 Q CB -0.125 28.605 28.738 -0.013 0.000 0.918 290 Q HN 0.507 nan 8.270 nan 0.000 0.444 291 D N -0.045 120.347 120.400 -0.014 0.000 2.104 291 D HA -0.165 4.476 4.640 0.000 0.000 0.194 291 D C 1.823 178.127 176.300 0.007 0.000 0.994 291 D CA 1.366 55.362 54.000 -0.007 0.000 0.830 291 D CB -0.176 40.614 40.800 -0.015 0.000 0.959 291 D HN 0.370 nan 8.370 nan 0.000 0.452 292 I N 1.218 121.793 120.570 0.009 0.000 2.226 292 I HA -0.236 3.934 4.170 0.000 0.000 0.245 292 I C 2.510 178.645 176.117 0.031 0.000 1.100 292 I CA 0.964 62.282 61.300 0.031 0.000 1.374 292 I CB -0.289 37.736 38.000 0.043 0.000 1.057 292 I HN -0.082 nan 8.210 nan 0.000 0.413 293 A N 0.495 123.328 122.820 0.022 0.000 1.978 293 A HA -0.196 4.125 4.320 0.000 0.000 0.220 293 A C 2.345 179.943 177.584 0.022 0.000 1.170 293 A CA 2.460 54.511 52.037 0.024 0.000 0.636 293 A CB -0.948 18.062 19.000 0.015 0.000 0.810 293 A HN 0.435 nan 8.150 nan 0.000 0.448 294 T N -0.319 114.245 114.554 0.017 0.000 2.894 294 T HA -0.026 4.324 4.350 0.000 0.000 0.258 294 T C 1.814 176.525 174.700 0.018 0.000 1.043 294 T CA 1.129 63.238 62.100 0.015 0.000 1.141 294 T CB -0.315 68.558 68.868 0.009 0.000 0.873 294 T HN 0.310 nan 8.240 nan 0.000 0.449 295 L N 2.353 123.588 121.223 0.021 0.000 2.046 295 L HA -0.067 4.274 4.340 0.000 0.000 0.208 295 L C 2.418 179.304 176.870 0.026 0.000 1.077 295 L CA 2.245 57.099 54.840 0.023 0.000 0.747 295 L CB -1.131 40.946 42.059 0.029 0.000 0.896 295 L HN 0.423 nan 8.230 nan 0.000 0.432 296 T N -4.004 110.570 114.554 0.034 0.000 3.060 296 T HA 0.352 4.702 4.350 0.000 0.000 0.249 296 T C 1.299 176.026 174.700 0.045 0.000 1.079 296 T CA 0.261 62.385 62.100 0.040 0.000 1.013 296 T CB -0.193 68.707 68.868 0.053 0.000 0.975 296 T HN 0.733 nan 8.240 nan 0.000 0.518 297 G N 0.388 109.212 108.800 0.040 0.000 2.204 297 G HA2 0.089 4.049 3.960 0.000 0.000 0.244 297 G HA3 0.089 4.049 3.960 0.000 0.000 0.244 297 G C 0.314 175.248 174.900 0.056 0.000 1.062 297 G CA -0.172 44.955 45.100 0.044 0.000 0.798 297 G HN 1.001 nan 8.290 nan 0.000 0.496 298 G N -1.663 107.166 108.800 0.049 0.000 2.990 298 G HA2 0.867 4.827 3.960 0.000 0.000 0.208 298 G HA3 0.867 4.827 3.960 0.000 0.000 0.208 298 G C -0.394 174.521 174.900 0.027 0.000 1.334 298 G CA 0.311 45.437 45.100 0.044 0.000 1.024 298 G HN 0.752 nan 8.290 nan 0.000 0.574 299 T N -0.441 114.124 114.554 0.019 0.000 2.903 299 T HA 0.450 4.800 4.350 0.000 0.000 0.299 299 T C -0.361 174.345 174.700 0.009 0.000 1.093 299 T CA -0.321 61.785 62.100 0.011 0.000 1.002 299 T CB 1.684 70.555 68.868 0.006 0.000 1.127 299 T HN 0.976 nan 8.240 nan 0.000 0.488 300 V N 1.013 120.930 119.914 0.006 0.000 2.299 300 V HA 0.486 4.606 4.120 0.000 0.000 0.255 300 V C -0.144 175.951 176.094 0.002 0.000 1.100 300 V CA -0.707 61.596 62.300 0.004 0.000 0.938 300 V CB -1.151 30.673 31.823 0.000 0.000 1.139 300 V HN 0.669 nan 8.190 nan 0.000 0.490 301 I N 4.369 124.941 120.570 0.002 0.000 2.574 301 I HA 0.151 4.322 4.170 0.000 0.000 0.291 301 I C 0.875 176.994 176.117 0.002 0.000 1.131 301 I CA 1.238 62.538 61.300 0.000 0.000 1.352 301 I CB 0.053 38.052 38.000 -0.002 0.000 1.431 301 I HN 0.619 nan 8.210 nan 0.000 0.543 302 S N 5.635 121.336 115.700 0.001 0.000 2.566 302 S HA 0.266 4.736 4.470 0.000 0.000 0.324 302 S C 0.897 175.498 174.600 0.002 0.000 1.081 302 S CA -0.697 57.505 58.200 0.002 0.000 1.105 302 S CB 0.955 64.156 63.200 0.001 0.000 0.981 302 S HN 0.587 nan 8.310 nan 0.000 0.464 303 E N 1.721 121.923 120.200 0.004 0.000 2.472 303 E HA -0.107 4.243 4.350 0.000 0.000 0.200 303 E C 0.938 177.541 176.600 0.004 0.000 1.046 303 E CA 0.542 56.944 56.400 0.004 0.000 0.871 303 E CB 0.120 29.823 29.700 0.006 0.000 0.806 303 E HN 0.672 nan 8.360 nan 0.000 0.533 304 E N 0.122 120.324 120.200 0.003 0.000 2.418 304 E HA -0.088 4.263 4.350 0.000 0.000 0.197 304 E C 1.203 177.804 176.600 0.001 0.000 1.026 304 E CA 0.577 56.978 56.400 0.002 0.000 0.862 304 E CB 0.155 29.855 29.700 0.002 0.000 0.799 304 E HN 0.375 nan 8.360 nan 0.000 0.518 305 I N -0.931 119.640 120.570 0.001 0.000 3.974 305 I HA 0.251 4.421 4.170 0.000 0.000 0.334 305 I C 1.230 177.347 176.117 -0.000 0.000 1.437 305 I CA -0.015 61.285 61.300 -0.000 0.000 1.113 305 I CB 0.669 38.669 38.000 -0.001 0.000 1.063 305 I HN 0.064 nan 8.210 nan 0.000 0.400 306 G N 2.488 111.288 108.800 0.001 0.000 2.189 306 G HA2 -0.332 3.629 3.960 0.000 0.000 0.267 306 G HA3 -0.332 3.629 3.960 0.000 0.000 0.267 306 G C 0.445 175.345 174.900 -0.000 0.000 0.975 306 G CA 0.725 45.825 45.100 0.000 0.000 0.644 306 G HN 0.540 nan 8.290 nan 0.000 0.537 307 M N -0.732 118.867 119.600 -0.001 0.000 2.255 307 M HA 0.845 5.326 4.480 0.000 0.000 0.336 307 M C -0.071 176.228 176.300 -0.002 0.000 1.135 307 M CA -0.273 55.026 55.300 -0.002 0.000 1.145 307 M CB 1.631 34.230 32.600 -0.003 0.000 1.473 307 M HN 0.133 nan 8.290 nan 0.000 0.462 308 E N 2.249 122.447 120.200 -0.003 0.000 2.407 308 E HA 0.256 4.607 4.350 0.000 0.000 0.279 308 E C -0.852 175.744 176.600 -0.007 0.000 1.012 308 E CA -0.529 55.869 56.400 -0.003 0.000 0.800 308 E CB 2.011 31.711 29.700 -0.001 0.000 1.276 308 E HN 1.018 nan 8.360 nan 0.000 0.452 309 L N 1.788 123.007 121.223 -0.007 0.000 2.217 309 L HA -0.034 4.306 4.340 0.000 0.000 0.211 309 L C 1.961 178.820 176.870 -0.018 0.000 1.107 309 L CA 0.959 55.792 54.840 -0.013 0.000 0.783 309 L CB -0.090 41.963 42.059 -0.010 0.000 0.919 309 L HN 0.570 nan 8.230 nan 0.000 0.442 310 E N 0.134 120.325 120.200 -0.015 0.000 2.338 310 E HA -0.202 4.149 4.350 0.000 0.000 0.197 310 E C 1.426 178.015 176.600 -0.019 0.000 1.007 310 E CA 0.780 57.169 56.400 -0.017 0.000 0.849 310 E CB 0.129 29.821 29.700 -0.012 0.000 0.774 310 E HN 0.330 nan 8.360 nan 0.000 0.506 311 K N 0.038 120.428 120.400 -0.017 0.000 2.374 311 K HA 0.183 4.503 4.320 0.000 0.000 0.196 311 K C 0.341 176.929 176.600 -0.020 0.000 1.023 311 K CA 0.025 56.302 56.287 -0.016 0.000 1.103 311 K CB 0.802 33.295 32.500 -0.011 0.000 0.848 311 K HN 0.018 nan 8.250 nan 0.000 0.528 312 A N 0.217 123.022 122.820 -0.026 0.000 2.260 312 A HA 0.607 4.928 4.320 0.000 0.000 0.278 312 A C 0.201 177.759 177.584 -0.043 0.000 1.269 312 A CA 0.067 52.085 52.037 -0.032 0.000 0.824 312 A CB 0.423 19.401 19.000 -0.035 0.000 1.238 312 A HN 0.153 nan 8.150 nan 0.000 0.507 313 T N -1.698 112.824 114.554 -0.054 0.000 2.718 313 T HA 0.330 4.680 4.350 0.000 0.000 0.306 313 T C 0.527 175.171 174.700 -0.093 0.000 1.485 313 T CA -0.601 61.457 62.100 -0.070 0.000 0.997 313 T CB 0.589 69.430 68.868 -0.044 0.000 1.504 313 T HN 0.315 nan 8.240 nan 0.000 0.497 314 L N 1.399 122.549 121.223 -0.123 0.000 2.263 314 L HA -0.110 4.230 4.340 0.000 0.000 0.216 314 L C 2.527 179.382 176.870 -0.025 0.000 1.111 314 L CA 1.907 56.657 54.840 -0.151 0.000 0.773 314 L CB -0.921 41.060 42.059 -0.130 0.000 0.906 314 L HN 0.831 nan 8.230 nan 0.000 0.439 315 E N -1.090 119.106 120.200 -0.007 0.000 2.147 315 E HA -0.267 4.083 4.350 0.000 0.000 0.199 315 E C 1.101 177.710 176.600 0.014 0.000 1.005 315 E CA 1.762 58.171 56.400 0.014 0.000 0.810 315 E CB -0.415 29.288 29.700 0.005 0.000 0.736 315 E HN 0.525 nan 8.360 nan 0.000 0.460 316 D N 0.139 120.535 120.400 -0.007 0.000 2.346 316 D HA 0.076 4.717 4.640 0.000 0.000 0.206 316 D C 0.138 176.440 176.300 0.002 0.000 1.001 316 D CA 0.108 54.105 54.000 -0.004 0.000 0.871 316 D CB 0.210 40.999 40.800 -0.017 0.000 0.943 316 D HN 0.105 nan 8.370 nan 0.000 0.518 317 L N 1.150 122.365 121.223 -0.014 0.000 2.380 317 L HA 0.320 4.660 4.340 0.000 0.000 0.273 317 L C 1.301 178.254 176.870 0.139 0.000 1.138 317 L CA 0.032 54.884 54.840 0.020 0.000 0.832 317 L CB 1.119 43.092 42.059 -0.145 0.000 1.124 317 L HN -0.169 nan 8.230 nan 0.000 0.454 318 G N 2.063 110.955 108.800 0.153 0.000 2.547 318 G HA2 0.602 4.562 3.960 0.000 0.000 0.291 318 G HA3 0.602 4.562 3.960 0.000 0.000 0.291 318 G C -0.881 174.138 174.900 0.198 0.000 1.211 318 G CA -0.386 44.802 45.100 0.148 0.000 0.950 318 G HN 0.546 nan 8.290 nan 0.000 0.504 319 Q N -1.405 118.448 119.800 0.089 0.000 2.421 319 Q HA 0.615 4.956 4.340 0.000 0.000 0.280 319 Q C -0.945 175.048 176.000 -0.012 0.000 1.085 319 Q CA -0.875 54.924 55.803 -0.007 0.000 0.807 319 Q CB 2.673 31.340 28.738 -0.119 0.000 1.405 319 Q HN 0.782 nan 8.270 nan 0.000 0.419 320 A N 0.897 123.697 122.820 -0.033 0.000 2.475 320 A HA 0.416 4.737 4.320 0.000 0.000 0.301 320 A C -0.046 177.512 177.584 -0.044 0.000 1.059 320 A CA -0.619 51.404 52.037 -0.023 0.000 0.710 320 A CB 1.350 20.350 19.000 -0.000 0.000 1.288 320 A HN 0.755 nan 8.150 nan 0.000 0.408 321 K N -0.127 120.251 120.400 -0.035 0.000 2.147 321 K HA -0.050 4.270 4.320 0.000 0.000 0.205 321 K C 0.473 177.053 176.600 -0.033 0.000 1.049 321 K CA 1.250 57.513 56.287 -0.039 0.000 0.936 321 K CB 0.057 32.540 32.500 -0.029 0.000 0.722 321 K HN 0.580 nan 8.250 nan 0.000 0.446 322 R N -0.582 119.905 120.500 -0.023 0.000 2.643 322 R HA 0.364 4.705 4.340 0.000 0.000 0.269 322 R C -1.989 174.305 176.300 -0.010 0.000 1.037 322 R CA -0.478 55.612 56.100 -0.018 0.000 0.894 322 R CB 2.754 33.045 30.300 -0.015 0.000 1.238 322 R HN -0.112 nan 8.270 nan 0.000 0.459 323 V N 3.884 123.793 119.914 -0.008 0.000 2.668 323 V HA 0.737 4.857 4.120 0.000 0.000 0.304 323 V C -1.459 174.634 176.094 -0.002 0.000 1.071 323 V CA -0.429 61.868 62.300 -0.004 0.000 0.894 323 V CB 1.956 33.781 31.823 0.004 0.000 1.008 323 V HN 0.580 nan 8.190 nan 0.000 0.425 324 V N 5.262 125.171 119.914 -0.008 0.000 2.841 324 V HA 0.886 5.006 4.120 0.000 0.000 0.310 324 V C -1.216 174.878 176.094 0.000 0.000 1.090 324 V CA -0.641 61.663 62.300 0.007 0.000 0.930 324 V CB 1.901 33.729 31.823 0.008 0.000 1.014 324 V HN 0.814 nan 8.190 nan 0.000 0.425 325 I N 4.487 125.084 120.570 0.046 0.000 2.752 325 I HA 0.628 4.798 4.170 0.000 0.000 0.295 325 I C -0.361 175.834 176.117 0.129 0.000 1.219 325 I CA -0.274 61.064 61.300 0.063 0.000 1.030 325 I CB 2.273 40.352 38.000 0.133 0.000 1.259 325 I HN 1.000 nan 8.210 nan 0.000 0.423 326 N N 4.245 122.965 118.700 0.034 0.000 3.100 326 N HA 0.343 5.083 4.740 0.000 0.000 0.344 326 N C 0.761 176.006 175.510 -0.443 0.000 1.413 326 N CA -0.727 52.331 53.050 0.014 0.000 0.752 326 N CB 0.656 39.128 38.487 -0.025 0.000 1.519 326 N HN 0.582 nan 8.380 nan 0.000 0.620 327 K N -0.739 119.370 120.400 -0.486 0.000 2.163 327 K HA -0.223 4.098 4.320 0.000 0.000 0.210 327 K C -0.604 175.677 176.600 -0.532 0.000 1.048 327 K CA 2.645 58.532 56.287 -0.667 0.000 0.928 327 K CB -0.335 32.009 32.500 -0.260 0.000 0.716 327 K HN 0.790 nan 8.250 nan 0.000 0.459 328 D N -1.975 118.225 120.400 -0.332 0.000 3.486 328 D HA 0.095 4.736 4.640 0.000 0.000 0.294 328 D C -1.020 175.199 176.300 -0.136 0.000 1.593 328 D CA -0.431 53.449 54.000 -0.199 0.000 0.776 328 D CB -0.005 40.705 40.800 -0.151 0.000 1.353 328 D HN -0.024 nan 8.370 nan 0.000 0.608 329 T N -0.314 114.145 114.554 -0.157 0.000 3.225 329 T HA 0.496 4.846 4.350 0.000 0.000 0.356 329 T C -1.238 173.331 174.700 -0.219 0.000 1.460 329 T CA -0.350 61.656 62.100 -0.156 0.000 1.126 329 T CB 2.060 70.876 68.868 -0.085 0.000 1.321 329 T HN -0.034 nan 8.240 nan 0.000 0.478 330 T N 2.016 116.323 114.554 -0.412 0.000 2.863 330 T HA 0.829 5.179 4.350 0.000 0.000 0.285 330 T C -0.738 173.632 174.700 -0.550 0.000 1.009 330 T CA -0.576 61.227 62.100 -0.495 0.000 0.989 330 T CB 1.949 70.390 68.868 -0.711 0.000 1.004 330 T HN 0.651 nan 8.240 nan 0.000 0.455 331 T N 2.293 116.675 114.554 -0.287 0.000 2.982 331 T HA 0.626 4.976 4.350 0.000 0.000 0.321 331 T C -1.506 173.155 174.700 -0.066 0.000 1.229 331 T CA -0.747 61.252 62.100 -0.168 0.000 1.044 331 T CB 0.465 69.269 68.868 -0.106 0.000 1.184 331 T HN 0.614 nan 8.240 nan 0.000 0.477 332 I N 2.722 123.286 120.570 -0.009 0.000 2.433 332 I HA 0.716 4.886 4.170 0.000 0.000 0.292 332 I C -0.925 175.202 176.117 0.017 0.000 1.001 332 I CA -1.166 60.146 61.300 0.019 0.000 1.119 332 I CB 1.734 39.769 38.000 0.058 0.000 1.289 332 I HN 0.506 nan 8.210 nan 0.000 0.438 333 I N 4.397 124.971 120.570 0.007 0.000 2.410 333 I HA 0.299 4.469 4.170 0.000 0.000 0.286 333 I C -0.803 175.314 176.117 -0.000 0.000 1.009 333 I CA -0.478 60.823 61.300 0.002 0.000 1.111 333 I CB 1.463 39.459 38.000 -0.006 0.000 1.262 333 I HN 0.722 nan 8.210 nan 0.000 0.443 334 D N 5.343 125.745 120.400 0.002 0.000 3.763 334 D HA -0.131 4.509 4.640 0.000 0.000 0.232 334 D C 0.403 176.703 176.300 -0.000 0.000 1.108 334 D CA 0.932 54.932 54.000 -0.000 0.000 1.117 334 D CB -0.036 40.760 40.800 -0.007 0.000 0.846 334 D HN 0.851 nan 8.370 nan 0.000 0.405 335 G N 1.841 110.646 108.800 0.009 0.000 2.313 335 G HA2 0.332 4.292 3.960 0.000 0.000 0.250 335 G HA3 0.332 4.292 3.960 0.000 0.000 0.250 335 G C 0.921 175.824 174.900 0.004 0.000 1.281 335 G CA -0.338 44.769 45.100 0.012 0.000 0.917 335 G HN 0.543 nan 8.290 nan 0.000 0.501 336 V N 3.664 123.577 119.914 -0.003 0.000 2.836 336 V HA 0.309 4.429 4.120 0.000 0.000 0.368 336 V C 1.412 177.508 176.094 0.002 0.000 1.452 336 V CA -0.016 62.278 62.300 -0.011 0.000 1.586 336 V CB -0.508 31.294 31.823 -0.036 0.000 1.436 336 V HN 0.774 nan 8.190 nan 0.000 0.541 337 G N 0.305 109.111 108.800 0.010 0.000 2.451 337 G HA2 0.454 4.414 3.960 0.000 0.000 0.303 337 G HA3 0.454 4.414 3.960 0.000 0.000 0.303 337 G C -0.221 174.683 174.900 0.007 0.000 1.166 337 G CA -0.491 44.617 45.100 0.013 0.000 0.884 337 G HN 0.352 nan 8.290 nan 0.000 0.514 338 E N 1.047 121.251 120.200 0.007 0.000 2.324 338 E HA 0.024 4.375 4.350 0.000 0.000 0.271 338 E C 0.926 177.529 176.600 0.004 0.000 1.028 338 E CA -0.287 56.116 56.400 0.004 0.000 0.890 338 E CB 1.352 31.055 29.700 0.004 0.000 1.004 338 E HN 0.505 nan 8.360 nan 0.000 0.431 339 E N 2.258 122.459 120.200 0.002 0.000 2.219 339 E HA -0.217 4.133 4.350 0.000 0.000 0.198 339 E C 1.673 178.275 176.600 0.003 0.000 0.998 339 E CA 1.081 57.483 56.400 0.002 0.000 0.818 339 E CB -0.055 29.645 29.700 0.001 0.000 0.741 339 E HN 0.597 nan 8.360 nan 0.000 0.477 340 A N 1.453 124.275 122.820 0.003 0.000 1.927 340 A HA -0.216 4.105 4.320 0.000 0.000 0.220 340 A C 2.416 180.002 177.584 0.003 0.000 1.185 340 A CA 2.378 54.417 52.037 0.003 0.000 0.639 340 A CB -0.573 18.429 19.000 0.003 0.000 0.820 340 A HN 0.303 nan 8.150 nan 0.000 0.451 341 A N -0.822 122.001 122.820 0.005 0.000 2.014 341 A HA 0.120 4.440 4.320 0.000 0.000 0.218 341 A C 2.068 179.656 177.584 0.006 0.000 1.163 341 A CA 1.264 53.304 52.037 0.006 0.000 0.652 341 A CB -0.432 18.573 19.000 0.008 0.000 0.808 341 A HN 0.521 nan 8.150 nan 0.000 0.449 342 I N -1.008 119.566 120.570 0.006 0.000 2.296 342 I HA -0.155 4.015 4.170 0.000 0.000 0.242 342 I C 2.446 178.566 176.117 0.005 0.000 1.087 342 I CA 0.700 62.004 61.300 0.007 0.000 1.393 342 I CB -0.403 37.602 38.000 0.008 0.000 1.093 342 I HN 0.218 nan 8.210 nan 0.000 0.421 343 Q N 1.021 120.822 119.800 0.003 0.000 2.170 343 Q HA -0.123 4.218 4.340 0.000 0.000 0.203 343 Q C 2.300 178.300 176.000 0.001 0.000 0.976 343 Q CA 1.725 57.529 55.803 0.002 0.000 0.858 343 Q CB -0.888 27.850 28.738 0.001 0.000 0.907 343 Q HN 0.608 nan 8.270 nan 0.000 0.433 344 G N 0.907 109.708 108.800 0.001 0.000 2.442 344 G HA2 -0.316 3.644 3.960 0.000 0.000 0.219 344 G HA3 -0.316 3.644 3.960 0.000 0.000 0.219 344 G C 1.690 176.590 174.900 0.000 0.000 1.141 344 G CA 0.954 46.054 45.100 0.001 0.000 0.763 344 G HN 0.253 nan 8.290 nan 0.000 0.554 345 R N 0.258 120.758 120.500 0.001 0.000 2.092 345 R HA 0.005 4.346 4.340 0.000 0.000 0.231 345 R C 2.662 178.961 176.300 -0.001 0.000 1.119 345 R CA 1.300 57.400 56.100 0.000 0.000 0.970 345 R CB -0.844 29.458 30.300 0.002 0.000 0.864 345 R HN 0.236 nan 8.270 nan 0.000 0.440 346 V N 0.779 120.693 119.914 0.000 0.000 2.332 346 V HA -0.250 3.870 4.120 0.000 0.000 0.248 346 V C 2.376 178.468 176.094 -0.003 0.000 1.055 346 V CA 1.991 64.290 62.300 -0.001 0.000 1.038 346 V CB -1.130 30.693 31.823 -0.000 0.000 0.651 346 V HN 0.501 nan 8.190 nan 0.000 0.450 347 A N -0.630 122.189 122.820 -0.002 0.000 1.877 347 A HA -0.305 4.015 4.320 0.000 0.000 0.216 347 A C 2.210 179.792 177.584 -0.004 0.000 1.186 347 A CA 2.077 54.112 52.037 -0.003 0.000 0.620 347 A CB -0.547 18.452 19.000 -0.002 0.000 0.822 347 A HN 0.625 nan 8.150 nan 0.000 0.443 348 Q N -0.529 119.269 119.800 -0.004 0.000 2.096 348 Q HA -0.150 4.190 4.340 0.000 0.000 0.204 348 Q C 2.015 178.011 176.000 -0.007 0.000 0.982 348 Q CA 1.791 57.591 55.803 -0.005 0.000 0.850 348 Q CB -0.359 28.377 28.738 -0.005 0.000 0.901 348 Q HN 0.783 nan 8.270 nan 0.000 0.422 349 I N -0.080 120.486 120.570 -0.008 0.000 2.353 349 I HA -0.205 3.965 4.170 0.000 0.000 0.248 349 I C 2.288 178.399 176.117 -0.010 0.000 1.119 349 I CA 0.800 62.094 61.300 -0.010 0.000 1.417 349 I CB -0.256 37.738 38.000 -0.011 0.000 1.078 349 I HN 0.106 nan 8.210 nan 0.000 0.421 350 R N 0.519 121.014 120.500 -0.008 0.000 2.105 350 R HA -0.231 4.110 4.340 0.000 0.000 0.239 350 R C 2.335 178.631 176.300 -0.007 0.000 1.135 350 R CA 1.480 57.575 56.100 -0.008 0.000 0.967 350 R CB -0.364 29.933 30.300 -0.006 0.000 0.861 350 R HN 0.471 nan 8.270 nan 0.000 0.442 351 Q N 0.904 120.700 119.800 -0.006 0.000 2.119 351 Q HA -0.209 4.132 4.340 0.000 0.000 0.201 351 Q C 1.826 177.822 176.000 -0.006 0.000 0.972 351 Q CA 1.450 57.250 55.803 -0.006 0.000 0.847 351 Q CB 0.122 28.857 28.738 -0.005 0.000 0.903 351 Q HN 0.419 nan 8.270 nan 0.000 0.433 352 Q N 0.064 119.859 119.800 -0.008 0.000 2.368 352 Q HA -0.139 4.202 4.340 0.000 0.000 0.210 352 Q C 1.853 177.848 176.000 -0.008 0.000 0.982 352 Q CA 0.985 56.783 55.803 -0.008 0.000 0.884 352 Q CB -0.072 28.659 28.738 -0.011 0.000 0.933 352 Q HN 0.492 nan 8.270 nan 0.000 0.460 353 I N 1.122 121.687 120.570 -0.008 0.000 2.493 353 I HA -0.270 3.900 4.170 0.000 0.000 0.254 353 I C 2.306 178.421 176.117 -0.004 0.000 1.160 353 I CA 1.090 62.386 61.300 -0.007 0.000 1.445 353 I CB -0.573 37.422 38.000 -0.009 0.000 1.086 353 I HN 0.339 nan 8.210 nan 0.000 0.433 354 E N 1.421 121.619 120.200 -0.004 0.000 2.187 354 E HA -0.307 4.043 4.350 0.000 0.000 0.199 354 E C 1.676 178.275 176.600 -0.001 0.000 1.004 354 E CA 1.597 57.996 56.400 -0.003 0.000 0.813 354 E CB -0.294 29.405 29.700 -0.003 0.000 0.736 354 E HN 0.434 nan 8.360 nan 0.000 0.468 355 E N 0.313 120.513 120.200 -0.001 0.000 2.208 355 E HA 0.001 4.352 4.350 0.000 0.000 0.193 355 E C 1.385 177.987 176.600 0.003 0.000 0.988 355 E CA 1.463 57.863 56.400 0.001 0.000 0.828 355 E CB -0.127 29.573 29.700 0.001 0.000 0.763 355 E HN 0.474 nan 8.360 nan 0.000 0.478 356 A N -0.942 121.880 122.820 0.004 0.000 3.768 356 A HA -0.351 3.969 4.320 0.000 0.000 0.270 356 A C 1.790 179.381 177.584 0.011 0.000 1.019 356 A CA 2.022 54.062 52.037 0.006 0.000 1.058 356 A CB -2.565 16.438 19.000 0.004 0.000 1.085 356 A HN 0.348 nan 8.150 nan 0.000 0.857 357 T N -1.018 113.543 114.554 0.011 0.000 3.025 357 T HA 0.227 4.577 4.350 0.000 0.000 0.270 357 T C 0.824 175.536 174.700 0.020 0.000 1.126 357 T CA 1.575 63.682 62.100 0.012 0.000 1.105 357 T CB -0.195 68.678 68.868 0.008 0.000 0.884 357 T HN 1.469 nan 8.240 nan 0.000 0.522 358 S N -0.110 115.608 115.700 0.030 0.000 2.619 358 S HA 0.328 4.798 4.470 0.000 0.000 0.280 358 S C -0.287 174.352 174.600 0.065 0.000 1.150 358 S CA -0.817 57.414 58.200 0.051 0.000 0.978 358 S CB 1.589 64.829 63.200 0.066 0.000 1.041 358 S HN 0.025 nan 8.310 nan 0.000 0.485 359 D N 2.371 122.814 120.400 0.072 0.000 2.144 359 D HA -0.039 4.601 4.640 0.000 0.000 0.200 359 D C 1.273 177.625 176.300 0.087 0.000 0.978 359 D CA 1.245 55.283 54.000 0.065 0.000 0.833 359 D CB -0.133 40.702 40.800 0.059 0.000 0.961 359 D HN 0.705 nan 8.370 nan 0.000 0.470 360 Y N 1.528 121.825 120.300 -0.006 0.000 2.165 360 Y HA -0.240 4.310 4.550 0.000 0.000 0.286 360 Y C 1.312 177.206 175.900 -0.010 0.000 1.155 360 Y CA 1.809 59.905 58.100 -0.007 0.000 1.164 360 Y CB -0.159 38.296 38.460 -0.008 0.000 0.978 360 Y HN -0.067 nan 8.280 nan 0.000 0.513 361 D N -0.968 119.500 120.400 0.114 0.000 2.183 361 D HA -0.078 4.562 4.640 0.000 0.000 0.203 361 D C 2.054 178.338 176.300 -0.027 0.000 0.969 361 D CA 0.812 54.827 54.000 0.025 0.000 0.842 361 D CB -0.145 40.695 40.800 0.067 0.000 0.957 361 D HN 0.197 nan 8.370 nan 0.000 0.484 362 R N 0.461 120.955 120.500 -0.010 0.000 2.241 362 R HA -0.118 4.222 4.340 0.000 0.000 0.224 362 R C 1.879 178.152 176.300 -0.045 0.000 1.101 362 R CA 0.863 56.951 56.100 -0.020 0.000 0.995 362 R CB 0.114 30.412 30.300 -0.003 0.000 0.870 362 R HN 0.325 nan 8.270 nan 0.000 0.463 363 E N 0.323 120.473 120.200 -0.084 0.000 2.024 363 E HA -0.141 4.210 4.350 0.000 0.000 0.190 363 E C 1.391 177.906 176.600 -0.142 0.000 0.974 363 E CA 0.821 57.151 56.400 -0.118 0.000 0.810 363 E CB 0.215 29.818 29.700 -0.160 0.000 0.775 363 E HN -0.058 nan 8.360 nan 0.000 0.453 364 K N 0.486 120.754 120.400 -0.220 0.000 2.280 364 K HA -0.055 4.265 4.320 0.000 0.000 0.202 364 K C 1.945 178.483 176.600 -0.104 0.000 1.047 364 K CA 0.712 56.879 56.287 -0.200 0.000 0.942 364 K CB -0.075 32.251 32.500 -0.290 0.000 0.739 364 K HN 0.207 nan 8.250 nan 0.000 0.457 365 L N -0.329 120.849 121.223 -0.075 0.000 2.095 365 L HA -0.133 4.207 4.340 0.000 0.000 0.204 365 L C 2.404 179.250 176.870 -0.039 0.000 1.080 365 L CA 0.894 55.707 54.840 -0.046 0.000 0.759 365 L CB -0.297 41.743 42.059 -0.032 0.000 0.914 365 L HN 0.135 nan 8.230 nan 0.000 0.439 366 Q N 0.658 120.433 119.800 -0.042 0.000 2.167 366 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 366 Q C 1.920 177.900 176.000 -0.033 0.000 0.970 366 Q CA 1.532 57.316 55.803 -0.033 0.000 0.855 366 Q CB -0.012 28.707 28.738 -0.031 0.000 0.911 366 Q HN 0.433 nan 8.270 nan 0.000 0.438 367 E N -0.304 119.868 120.200 -0.047 0.000 2.077 367 E HA -0.193 4.157 4.350 0.000 0.000 0.193 367 E C 2.133 178.719 176.600 -0.024 0.000 0.989 367 E CA 1.036 57.414 56.400 -0.038 0.000 0.800 367 E CB -0.111 29.556 29.700 -0.056 0.000 0.746 367 E HN 0.318 nan 8.360 nan 0.000 0.452 368 R N 0.409 120.891 120.500 -0.030 0.000 2.096 368 R HA -0.115 4.225 4.340 0.000 0.000 0.235 368 R C 2.428 178.721 176.300 -0.010 0.000 1.127 368 R CA 0.947 57.035 56.100 -0.020 0.000 0.968 368 R CB -0.238 30.044 30.300 -0.030 0.000 0.861 368 R HN 0.050 nan 8.270 nan 0.000 0.440 369 V N 0.779 120.686 119.914 -0.013 0.000 2.343 369 V HA -0.251 3.870 4.120 0.000 0.000 0.247 369 V C 2.406 178.499 176.094 -0.002 0.000 1.051 369 V CA 2.009 64.305 62.300 -0.007 0.000 1.036 369 V CB -0.658 31.159 31.823 -0.010 0.000 0.654 369 V HN 0.414 nan 8.190 nan 0.000 0.451 370 A N -0.369 122.449 122.820 -0.004 0.000 1.877 370 A HA -0.157 4.164 4.320 0.000 0.000 0.216 370 A C 1.922 179.513 177.584 0.011 0.000 1.186 370 A CA 1.310 53.347 52.037 0.001 0.000 0.620 370 A CB -0.365 18.633 19.000 -0.003 0.000 0.822 370 A HN 0.398 nan 8.150 nan 0.000 0.443 371 K N -0.580 119.831 120.400 0.018 0.000 2.668 371 K HA 0.133 4.453 4.320 0.000 0.000 0.204 371 K C 0.659 177.283 176.600 0.039 0.000 1.016 371 K CA 0.282 56.593 56.287 0.039 0.000 1.131 371 K CB -0.108 32.425 32.500 0.055 0.000 0.891 371 K HN 0.488 nan 8.250 nan 0.000 0.499 372 L N -1.652 119.585 121.223 0.023 0.000 2.932 372 L HA 0.324 4.665 4.340 0.000 0.000 0.168 372 L C 0.622 177.502 176.870 0.016 0.000 1.125 372 L CA 0.827 55.679 54.840 0.021 0.000 0.868 372 L CB -0.006 42.060 42.059 0.013 0.000 1.496 372 L HN -0.076 nan 8.230 nan 0.000 0.519 373 A N -0.973 121.852 122.820 0.009 0.000 2.605 373 A HA 0.579 4.899 4.320 0.000 0.000 0.292 373 A C 1.392 178.978 177.584 0.003 0.000 1.055 373 A CA 0.313 52.354 52.037 0.006 0.000 0.969 373 A CB -0.509 18.494 19.000 0.004 0.000 1.236 373 A HN 0.431 nan 8.150 nan 0.000 0.534 374 G N 0.287 109.090 108.800 0.004 0.000 2.394 374 G HA2 0.405 4.365 3.960 0.000 0.000 0.214 374 G HA3 0.405 4.365 3.960 0.000 0.000 0.214 374 G C 1.139 176.041 174.900 0.004 0.000 1.176 374 G CA 0.730 45.831 45.100 0.002 0.000 0.786 374 G HN 1.831 nan 8.290 nan 0.000 0.533 375 G N -1.622 107.183 108.800 0.008 0.000 2.728 375 G HA2 -0.015 3.945 3.960 0.000 0.000 0.294 375 G HA3 -0.015 3.945 3.960 0.000 0.000 0.294 375 G C -0.434 174.471 174.900 0.008 0.000 1.342 375 G CA -0.434 44.672 45.100 0.010 0.000 0.866 375 G HN 0.858 nan 8.290 nan 0.000 0.534 376 V N 1.179 121.097 119.914 0.006 0.000 2.488 376 V HA 0.540 4.660 4.120 0.000 0.000 0.277 376 V C 1.263 177.354 176.094 -0.006 0.000 1.046 376 V CA 0.374 62.674 62.300 -0.001 0.000 0.986 376 V CB 0.863 32.685 31.823 -0.002 0.000 0.989 376 V HN 1.900 nan 8.190 nan 0.000 0.475 377 A N 5.702 128.516 122.820 -0.010 0.000 2.362 377 A HA 0.648 4.968 4.320 0.000 0.000 0.276 377 A C -0.146 177.427 177.584 -0.017 0.000 1.153 377 A CA -0.373 51.656 52.037 -0.013 0.000 0.813 377 A CB 0.593 19.584 19.000 -0.015 0.000 1.081 377 A HN 1.217 nan 8.150 nan 0.000 0.507 378 V N 1.246 121.150 119.914 -0.016 0.000 2.459 378 V HA 0.697 4.817 4.120 0.000 0.000 0.295 378 V C -0.347 175.736 176.094 -0.019 0.000 1.029 378 V CA -0.650 61.639 62.300 -0.018 0.000 0.874 378 V CB 1.188 33.002 31.823 -0.015 0.000 0.985 378 V HN 0.617 nan 8.190 nan 0.000 0.438 379 I N 4.158 124.715 120.570 -0.022 0.000 2.371 379 I HA 0.397 4.567 4.170 0.000 0.000 0.282 379 I C 0.202 176.308 176.117 -0.019 0.000 1.031 379 I CA -0.394 60.893 61.300 -0.022 0.000 1.180 379 I CB 1.202 39.185 38.000 -0.028 0.000 1.336 379 I HN 0.633 nan 8.210 nan 0.000 0.467 380 K N 5.548 125.938 120.400 -0.016 0.000 2.292 380 K HA 0.309 4.630 4.320 0.000 0.000 0.290 380 K C -0.527 176.065 176.600 -0.013 0.000 1.083 380 K CA -0.390 55.889 56.287 -0.014 0.000 0.918 380 K CB 1.090 33.583 32.500 -0.012 0.000 1.089 380 K HN 0.333 nan 8.250 nan 0.000 0.473 381 V N 3.183 123.089 119.914 -0.013 0.000 2.439 381 V HA 0.129 4.249 4.120 0.000 0.000 0.271 381 V C 0.880 176.968 176.094 -0.010 0.000 1.040 381 V CA -0.432 61.860 62.300 -0.012 0.000 1.002 381 V CB 0.812 32.628 31.823 -0.012 0.000 1.000 381 V HN 0.841 nan 8.190 nan 0.000 0.477 382 G N 3.549 112.343 108.800 -0.010 0.000 2.367 382 G HA2 0.776 4.737 3.960 0.000 0.000 0.314 382 G HA3 0.776 4.737 3.960 0.000 0.000 0.314 382 G C -0.439 174.456 174.900 -0.008 0.000 1.130 382 G CA 0.174 45.269 45.100 -0.009 0.000 0.864 382 G HN 1.204 nan 8.290 nan 0.000 0.486 383 A N 0.284 123.100 122.820 -0.007 0.000 2.586 383 A HA 0.751 5.071 4.320 0.000 0.000 0.290 383 A C 0.679 178.260 177.584 -0.006 0.000 1.086 383 A CA 0.231 52.264 52.037 -0.007 0.000 0.665 383 A CB 0.543 19.539 19.000 -0.007 0.000 1.279 383 A HN 1.834 nan 8.150 nan 0.000 0.423 384 A N -0.530 122.287 122.820 -0.005 0.000 2.209 384 A HA 0.496 4.816 4.320 0.000 0.000 0.212 384 A C 0.958 178.539 177.584 -0.005 0.000 1.158 384 A CA 1.987 54.021 52.037 -0.005 0.000 0.742 384 A CB -0.334 18.663 19.000 -0.004 0.000 0.790 384 A HN 2.079 nan 8.150 nan 0.000 0.472 385 T N -3.026 111.525 114.554 -0.005 0.000 2.774 385 T HA 0.168 4.519 4.350 0.000 0.000 0.325 385 T C 0.342 175.039 174.700 -0.005 0.000 1.753 385 T CA 0.052 62.149 62.100 -0.005 0.000 1.024 385 T CB 0.847 69.712 68.868 -0.004 0.000 1.628 385 T HN 0.237 nan 8.240 nan 0.000 0.497 386 E N 0.761 120.958 120.200 -0.005 0.000 2.118 386 E HA -0.117 4.233 4.350 0.000 0.000 0.195 386 E C 1.705 178.302 176.600 -0.005 0.000 0.992 386 E CA 1.903 58.299 56.400 -0.006 0.000 0.804 386 E CB 0.005 29.702 29.700 -0.006 0.000 0.741 386 E HN 0.461 nan 8.360 nan 0.000 0.458 387 V N 0.790 120.701 119.914 -0.005 0.000 2.453 387 V HA -0.181 3.939 4.120 0.000 0.000 0.247 387 V C 2.292 178.384 176.094 -0.004 0.000 1.048 387 V CA 1.961 64.258 62.300 -0.004 0.000 1.049 387 V CB -0.399 31.422 31.823 -0.003 0.000 0.672 387 V HN 0.299 nan 8.190 nan 0.000 0.457 388 E N -0.298 119.900 120.200 -0.004 0.000 2.158 388 E HA -0.165 4.185 4.350 0.000 0.000 0.191 388 E C 2.220 178.817 176.600 -0.005 0.000 0.982 388 E CA 0.728 57.126 56.400 -0.004 0.000 0.823 388 E CB -0.059 29.638 29.700 -0.005 0.000 0.766 388 E HN 0.549 nan 8.360 nan 0.000 0.468 389 M N 0.741 120.337 119.600 -0.005 0.000 2.082 389 M HA -0.257 4.223 4.480 0.000 0.000 0.258 389 M C 1.820 178.117 176.300 -0.005 0.000 1.069 389 M CA 1.779 57.075 55.300 -0.006 0.000 1.102 389 M CB 0.008 32.604 32.600 -0.006 0.000 1.336 389 M HN -0.055 nan 8.290 nan 0.000 0.404 390 K N -0.409 119.988 120.400 -0.004 0.000 2.097 390 K HA -0.167 4.153 4.320 0.000 0.000 0.205 390 K C 2.043 178.641 176.600 -0.002 0.000 1.050 390 K CA 1.187 57.472 56.287 -0.003 0.000 0.938 390 K CB -0.284 32.214 32.500 -0.003 0.000 0.718 390 K HN 0.371 nan 8.250 nan 0.000 0.442 391 E N 1.706 121.904 120.200 -0.003 0.000 2.077 391 E HA -0.220 4.131 4.350 0.000 0.000 0.193 391 E C 1.836 178.434 176.600 -0.003 0.000 0.989 391 E CA 1.460 57.858 56.400 -0.002 0.000 0.800 391 E CB 0.162 29.860 29.700 -0.003 0.000 0.746 391 E HN 0.178 nan 8.360 nan 0.000 0.452 392 K N 0.485 120.882 120.400 -0.005 0.000 2.137 392 K HA -0.077 4.243 4.320 0.000 0.000 0.202 392 K C 2.310 178.907 176.600 -0.006 0.000 1.052 392 K CA 0.737 57.021 56.287 -0.006 0.000 0.961 392 K CB 0.027 32.522 32.500 -0.008 0.000 0.741 392 K HN -0.099 nan 8.250 nan 0.000 0.452 393 K N 0.457 120.854 120.400 -0.005 0.000 2.009 393 K HA -0.169 4.151 4.320 0.000 0.000 0.210 393 K C 1.980 178.580 176.600 0.000 0.000 1.049 393 K CA 1.513 57.798 56.287 -0.004 0.000 0.929 393 K CB -0.229 32.269 32.500 -0.003 0.000 0.714 393 K HN 0.195 nan 8.250 nan 0.000 0.440 394 A N 1.522 124.345 122.820 0.005 0.000 1.940 394 A HA -0.234 4.086 4.320 0.000 0.000 0.219 394 A C 2.123 179.714 177.584 0.011 0.000 1.176 394 A CA 1.899 53.943 52.037 0.012 0.000 0.631 394 A CB -0.626 18.380 19.000 0.010 0.000 0.814 394 A HN 0.465 nan 8.150 nan 0.000 0.446 395 R N -0.405 120.097 120.500 0.003 0.000 2.075 395 R HA -0.084 4.256 4.340 0.000 0.000 0.232 395 R C 1.868 178.163 176.300 -0.007 0.000 1.126 395 R CA 1.779 57.878 56.100 -0.001 0.000 0.963 395 R CB -0.459 29.838 30.300 -0.005 0.000 0.858 395 R HN 0.277 nan 8.270 nan 0.000 0.435 396 V N 1.445 121.350 119.914 -0.014 0.000 2.295 396 V HA -0.233 3.887 4.120 0.000 0.000 0.246 396 V C 2.089 178.156 176.094 -0.044 0.000 1.049 396 V CA 2.217 64.500 62.300 -0.029 0.000 1.024 396 V CB -0.547 31.258 31.823 -0.030 0.000 0.648 396 V HN 0.437 nan 8.190 nan 0.000 0.447 397 E N -0.251 119.933 120.200 -0.027 0.000 2.031 397 E HA -0.249 4.101 4.350 0.000 0.000 0.193 397 E C 2.157 178.767 176.600 0.015 0.000 0.994 397 E CA 1.488 57.872 56.400 -0.028 0.000 0.800 397 E CB -0.233 29.489 29.700 0.036 0.000 0.752 397 E HN 0.574 nan 8.360 nan 0.000 0.447 398 D N 0.002 120.441 120.400 0.065 0.000 2.117 398 D HA -0.100 4.540 4.640 0.000 0.000 0.198 398 D C 1.922 178.255 176.300 0.055 0.000 0.982 398 D CA 1.097 55.157 54.000 0.101 0.000 0.828 398 D CB 0.116 40.952 40.800 0.060 0.000 0.967 398 D HN 0.124 nan 8.370 nan 0.000 0.464 399 A N 1.004 123.828 122.820 0.006 0.000 2.015 399 A HA -0.090 4.230 4.320 0.000 0.000 0.219 399 A C 2.326 179.888 177.584 -0.036 0.000 1.163 399 A CA 0.544 52.576 52.037 -0.010 0.000 0.646 399 A CB -0.586 18.404 19.000 -0.017 0.000 0.806 399 A HN 0.345 nan 8.150 nan 0.000 0.448 400 L N -1.323 119.842 121.223 -0.096 0.000 2.027 400 L HA -0.163 4.177 4.340 0.000 0.000 0.206 400 L C 2.638 179.408 176.870 -0.165 0.000 1.074 400 L CA 1.500 56.240 54.840 -0.167 0.000 0.745 400 L CB -0.464 41.435 42.059 -0.266 0.000 0.898 400 L HN 0.467 nan 8.230 nan 0.000 0.433 401 H N -0.269 118.795 119.070 -0.009 0.000 2.353 401 H HA -0.098 4.458 4.556 0.001 0.000 0.300 401 H C 2.214 177.538 175.328 -0.006 0.000 1.090 401 H CA 1.367 57.410 56.048 -0.009 0.000 1.327 401 H CB -0.330 29.425 29.762 -0.010 0.000 1.383 401 H HN 0.509 nan 8.280 nan 0.000 0.508 402 A N 0.526 123.407 122.820 0.101 0.000 1.902 402 A HA -0.158 4.162 4.320 0.000 0.000 0.217 402 A C 2.634 180.236 177.584 0.029 0.000 1.181 402 A CA 2.034 54.103 52.037 0.053 0.000 0.623 402 A CB -0.866 18.156 19.000 0.035 0.000 0.818 402 A HN 0.402 nan 8.150 nan 0.000 0.443 403 T N -0.250 114.311 114.554 0.011 0.000 2.684 403 T HA -0.165 4.186 4.350 0.000 0.000 0.267 403 T C 2.064 176.769 174.700 0.009 0.000 1.036 403 T CA 1.606 63.706 62.100 0.001 0.000 1.148 403 T CB -0.260 68.597 68.868 -0.017 0.000 0.863 403 T HN 0.504 nan 8.240 nan 0.000 0.436 404 R N 0.836 121.346 120.500 0.016 0.000 2.096 404 R HA -0.003 4.337 4.340 0.000 0.000 0.235 404 R C 2.817 179.139 176.300 0.036 0.000 1.127 404 R CA 1.253 57.370 56.100 0.029 0.000 0.968 404 R CB -0.500 29.828 30.300 0.046 0.000 0.861 404 R HN 0.379 nan 8.270 nan 0.000 0.440 405 A N 1.184 124.031 122.820 0.044 0.000 1.933 405 A HA -0.130 4.190 4.320 0.000 0.000 0.218 405 A C 2.345 179.944 177.584 0.025 0.000 1.175 405 A CA 1.743 53.802 52.037 0.036 0.000 0.628 405 A CB -0.541 18.483 19.000 0.040 0.000 0.814 405 A HN 0.407 nan 8.150 nan 0.000 0.444 406 A N -0.734 122.099 122.820 0.020 0.000 1.969 406 A HA 0.070 4.390 4.320 0.000 0.000 0.218 406 A C 2.142 179.734 177.584 0.013 0.000 1.169 406 A CA 1.549 53.595 52.037 0.014 0.000 0.635 406 A CB -0.726 18.280 19.000 0.009 0.000 0.810 406 A HN 0.375 nan 8.150 nan 0.000 0.445 407 V N 0.104 120.026 119.914 0.013 0.000 2.626 407 V HA -0.228 3.892 4.120 0.000 0.000 0.252 407 V C 2.335 178.437 176.094 0.015 0.000 1.067 407 V CA 2.132 64.439 62.300 0.012 0.000 1.081 407 V CB -0.680 31.149 31.823 0.010 0.000 0.686 407 V HN 0.621 nan 8.190 nan 0.000 0.468 408 E N -0.124 120.088 120.200 0.019 0.000 2.033 408 E HA -0.120 4.230 4.350 0.000 0.000 0.189 408 E C 1.715 178.326 176.600 0.018 0.000 0.979 408 E CA 1.202 57.614 56.400 0.020 0.000 0.802 408 E CB 0.049 29.764 29.700 0.024 0.000 0.763 408 E HN 0.643 nan 8.360 nan 0.000 0.449 409 E N -0.618 119.592 120.200 0.017 0.000 2.601 409 E HA 0.213 4.563 4.350 0.000 0.000 0.219 409 E C 0.343 176.951 176.600 0.013 0.000 0.964 409 E CA 0.138 56.547 56.400 0.015 0.000 1.050 409 E CB 1.642 31.351 29.700 0.016 0.000 1.068 409 E HN 0.238 nan 8.360 nan 0.000 0.496 410 G N 1.307 110.115 108.800 0.013 0.000 2.615 410 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 410 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 410 G C -0.334 174.573 174.900 0.011 0.000 1.339 410 G CA -0.436 44.671 45.100 0.011 0.000 0.884 410 G HN 0.504 nan 8.290 nan 0.000 0.559 411 V N -2.904 117.016 119.914 0.010 0.000 3.078 411 V HA 0.978 5.098 4.120 0.000 0.000 0.311 411 V C 0.456 176.555 176.094 0.009 0.000 1.138 411 V CA 0.058 62.363 62.300 0.008 0.000 1.007 411 V CB 1.269 33.095 31.823 0.005 0.000 1.045 411 V HN 2.445 nan 8.190 nan 0.000 0.432 412 V N -0.970 118.949 119.914 0.008 0.000 3.160 412 V HA 0.985 5.105 4.120 0.000 0.000 0.310 412 V C 0.539 176.636 176.094 0.005 0.000 1.181 412 V CA -0.709 61.597 62.300 0.010 0.000 1.047 412 V CB 1.492 33.322 31.823 0.013 0.000 1.068 412 V HN 2.100 nan 8.190 nan 0.000 0.441 413 A N 1.074 123.899 122.820 0.008 0.000 2.526 413 A HA 0.495 4.815 4.320 0.000 0.000 0.287 413 A C 0.949 178.527 177.584 -0.009 0.000 1.232 413 A CA 0.572 52.608 52.037 -0.001 0.000 0.900 413 A CB -1.140 17.868 19.000 0.013 0.000 1.077 413 A HN 1.888 nan 8.150 nan 0.000 0.535 414 G N 1.890 110.676 108.800 -0.023 0.000 3.860 414 G HA2 0.458 4.418 3.960 0.000 0.000 0.269 414 G HA3 0.458 4.418 3.960 0.000 0.000 0.269 414 G C 0.477 175.353 174.900 -0.039 0.000 1.112 414 G CA 0.323 45.408 45.100 -0.024 0.000 1.674 414 G HN 1.324 nan 8.290 nan 0.000 0.628 415 G N -0.821 107.961 108.800 -0.030 0.000 5.482 415 G HA2 0.480 4.440 3.960 0.000 0.000 0.208 415 G HA3 0.480 4.440 3.960 0.000 0.000 0.208 415 G C 0.941 175.852 174.900 0.018 0.000 0.756 415 G CA 0.442 45.523 45.100 -0.030 0.000 0.682 415 G HN 1.357 nan 8.290 nan 0.000 0.405 416 G N -0.303 108.509 108.800 0.020 0.000 2.412 416 G HA2 -0.371 3.589 3.960 0.000 0.000 0.252 416 G HA3 -0.371 3.589 3.960 0.000 0.000 0.252 416 G C 1.654 176.576 174.900 0.037 0.000 1.038 416 G CA 0.980 46.099 45.100 0.032 0.000 0.628 416 G HN 1.018 nan 8.290 nan 0.000 0.531 417 V N 1.383 121.322 119.914 0.042 0.000 2.277 417 V HA -0.222 3.898 4.120 0.000 0.000 0.255 417 V C 3.362 179.482 176.094 0.043 0.000 1.074 417 V CA 3.498 65.825 62.300 0.045 0.000 1.058 417 V CB -1.343 30.497 31.823 0.029 0.000 0.656 417 V HN 1.225 nan 8.190 nan 0.000 0.449 418 A N -0.298 122.542 122.820 0.032 0.000 1.865 418 A HA -0.185 4.135 4.320 0.000 0.000 0.217 418 A C 2.139 179.742 177.584 0.032 0.000 1.191 418 A CA 2.033 54.090 52.037 0.032 0.000 0.623 418 A CB -0.574 18.440 19.000 0.023 0.000 0.826 418 A HN 0.415 nan 8.150 nan 0.000 0.444 419 L N -0.105 121.135 121.223 0.029 0.000 2.012 419 L HA -0.184 4.156 4.340 0.000 0.000 0.210 419 L C 2.597 179.485 176.870 0.029 0.000 1.073 419 L CA 1.505 56.361 54.840 0.026 0.000 0.748 419 L CB -1.419 40.654 42.059 0.024 0.000 0.891 419 L HN 0.352 nan 8.230 nan 0.000 0.431 420 I N -0.280 120.311 120.570 0.035 0.000 2.151 420 I HA -0.332 3.838 4.170 0.000 0.000 0.243 420 I C 2.778 178.920 176.117 0.042 0.000 1.080 420 I CA 1.407 62.730 61.300 0.038 0.000 1.339 420 I CB -0.698 37.329 38.000 0.045 0.000 1.039 420 I HN 0.372 nan 8.210 nan 0.000 0.409 421 R N 0.949 121.478 120.500 0.049 0.000 2.057 421 R HA -0.117 4.223 4.340 0.000 0.000 0.229 421 R C 2.359 178.681 176.300 0.038 0.000 1.136 421 R CA 1.850 57.981 56.100 0.051 0.000 0.952 421 R CB -0.164 30.174 30.300 0.064 0.000 0.848 421 R HN 0.337 nan 8.270 nan 0.000 0.430 422 V N -1.661 118.272 119.914 0.032 0.000 2.913 422 V HA 0.035 4.156 4.120 0.000 0.000 0.260 422 V C 1.848 177.955 176.094 0.021 0.000 1.098 422 V CA 1.683 63.998 62.300 0.024 0.000 1.121 422 V CB -0.428 31.407 31.823 0.021 0.000 0.714 422 V HN 0.354 nan 8.190 nan 0.000 0.487 423 A N 0.869 123.703 122.820 0.022 0.000 2.147 423 A HA 0.155 4.476 4.320 0.000 0.000 0.211 423 A C 2.340 179.936 177.584 0.019 0.000 1.160 423 A CA 1.195 53.244 52.037 0.019 0.000 0.781 423 A CB -0.260 18.752 19.000 0.019 0.000 0.842 423 A HN 0.797 nan 8.150 nan 0.000 0.475 424 S N -0.326 115.388 115.700 0.023 0.000 2.506 424 S HA 0.069 4.539 4.470 0.000 0.000 0.230 424 S C 1.583 176.195 174.600 0.020 0.000 1.066 424 S CA 0.463 58.677 58.200 0.023 0.000 0.940 424 S CB -0.335 62.882 63.200 0.029 0.000 0.818 424 S HN 0.446 nan 8.310 nan 0.000 0.518 425 K N 1.177 121.590 120.400 0.022 0.000 2.442 425 K HA 0.004 4.325 4.320 0.000 0.000 0.199 425 K C 0.537 177.145 176.600 0.014 0.000 1.044 425 K CA 1.039 57.336 56.287 0.018 0.000 0.941 425 K CB -0.450 32.063 32.500 0.020 0.000 0.759 425 K HN 0.504 nan 8.250 nan 0.000 0.472 426 L N -4.518 116.712 121.223 0.013 0.000 3.168 426 L HA 0.460 4.800 4.340 0.000 0.000 0.277 426 L C 1.210 178.085 176.870 0.010 0.000 1.245 426 L CA -0.118 54.728 54.840 0.010 0.000 1.035 426 L CB 0.011 42.076 42.059 0.010 0.000 1.399 426 L HN -0.221 nan 8.230 nan 0.000 0.580 427 A N -0.390 122.436 122.820 0.010 0.000 2.076 427 A HA -0.173 4.147 4.320 0.000 0.000 0.220 427 A C 1.411 178.999 177.584 0.007 0.000 1.160 427 A CA 1.790 53.833 52.037 0.009 0.000 0.653 427 A CB -0.547 18.459 19.000 0.010 0.000 0.801 427 A HN 0.501 nan 8.150 nan 0.000 0.455 428 D N -1.168 119.236 120.400 0.007 0.000 2.358 428 D HA 0.246 4.886 4.640 0.000 0.000 0.224 428 D C -0.001 176.302 176.300 0.005 0.000 1.123 428 D CA -0.319 53.684 54.000 0.005 0.000 0.833 428 D CB -0.082 40.721 40.800 0.005 0.000 0.946 428 D HN 0.317 nan 8.370 nan 0.000 0.505 429 L N 1.235 122.462 121.223 0.005 0.000 2.490 429 L HA 0.194 4.535 4.340 0.000 0.000 0.274 429 L C -0.088 176.785 176.870 0.004 0.000 1.201 429 L CA 0.674 55.517 54.840 0.005 0.000 0.869 429 L CB 0.147 42.209 42.059 0.005 0.000 1.123 429 L HN -0.114 nan 8.230 nan 0.000 0.484 430 R N 3.086 123.588 120.500 0.004 0.000 2.799 430 R HA 0.738 5.078 4.340 0.000 0.000 0.270 430 R C -0.407 175.895 176.300 0.003 0.000 1.010 430 R CA -0.404 55.698 56.100 0.003 0.000 0.916 430 R CB 1.380 31.682 30.300 0.003 0.000 1.228 430 R HN 0.804 nan 8.270 nan 0.000 0.469 431 G N -0.147 108.655 108.800 0.003 0.000 3.013 431 G HA2 0.380 4.340 3.960 0.000 0.000 0.278 431 G HA3 0.380 4.340 3.960 0.000 0.000 0.278 431 G C -0.216 174.685 174.900 0.002 0.000 1.353 431 G CA -0.310 44.792 45.100 0.003 0.000 1.043 431 G HN 0.295 nan 8.290 nan 0.000 0.523 432 Q N -0.564 119.238 119.800 0.002 0.000 2.212 432 Q HA 0.109 4.449 4.340 0.000 0.000 0.199 432 Q C 1.050 177.051 176.000 0.002 0.000 0.950 432 Q CA 0.647 56.452 55.803 0.002 0.000 0.863 432 Q CB 0.174 28.913 28.738 0.002 0.000 0.944 432 Q HN 0.615 nan 8.270 nan 0.000 0.465 433 N N -0.327 118.374 118.700 0.002 0.000 2.577 433 N HA 0.014 4.755 4.740 0.000 0.000 0.285 433 N C 0.555 176.066 175.510 0.003 0.000 1.309 433 N CA -0.196 52.855 53.050 0.002 0.000 0.798 433 N CB 1.431 39.919 38.487 0.002 0.000 1.463 433 N HN -0.064 nan 8.380 nan 0.000 0.518 434 E N 1.198 121.400 120.200 0.003 0.000 2.038 434 E HA -0.248 4.103 4.350 0.000 0.000 0.195 434 E C 0.524 177.126 176.600 0.003 0.000 1.000 434 E CA 1.943 58.345 56.400 0.003 0.000 0.803 434 E CB -0.917 28.785 29.700 0.003 0.000 0.750 434 E HN 0.670 nan 8.360 nan 0.000 0.448 435 D N 1.143 121.545 120.400 0.004 0.000 2.133 435 D HA -0.194 4.446 4.640 0.000 0.000 0.195 435 D C 2.168 178.470 176.300 0.005 0.000 0.997 435 D CA 1.804 55.806 54.000 0.004 0.000 0.840 435 D CB -0.281 40.522 40.800 0.004 0.000 0.947 435 D HN 0.309 nan 8.370 nan 0.000 0.452 436 Q N 0.024 119.826 119.800 0.004 0.000 2.119 436 Q HA -0.121 4.220 4.340 0.000 0.000 0.201 436 Q C 1.713 177.716 176.000 0.004 0.000 0.972 436 Q CA 0.844 56.649 55.803 0.004 0.000 0.847 436 Q CB 0.143 28.884 28.738 0.004 0.000 0.903 436 Q HN 0.269 nan 8.270 nan 0.000 0.433 437 N N -0.313 118.389 118.700 0.004 0.000 2.188 437 N HA -0.126 4.614 4.740 0.000 0.000 0.184 437 N C 1.840 177.352 175.510 0.005 0.000 1.018 437 N CA 1.157 54.209 53.050 0.004 0.000 0.858 437 N CB 0.017 38.506 38.487 0.004 0.000 0.989 437 N HN 0.094 nan 8.380 nan 0.000 0.426 438 V N 1.120 121.036 119.914 0.005 0.000 2.343 438 V HA -0.159 3.961 4.120 0.000 0.000 0.247 438 V C 2.505 178.602 176.094 0.006 0.000 1.051 438 V CA 1.994 64.297 62.300 0.005 0.000 1.036 438 V CB -1.148 30.678 31.823 0.005 0.000 0.654 438 V HN 0.326 nan 8.190 nan 0.000 0.451 439 G N -0.048 108.756 108.800 0.006 0.000 2.440 439 G HA2 -0.241 3.720 3.960 0.000 0.000 0.218 439 G HA3 -0.241 3.720 3.960 0.000 0.000 0.218 439 G C 1.567 176.470 174.900 0.006 0.000 1.154 439 G CA 1.168 46.272 45.100 0.006 0.000 0.767 439 G HN 0.482 nan 8.290 nan 0.000 0.552 440 I N 0.109 120.683 120.570 0.006 0.000 2.099 440 I HA -0.153 4.017 4.170 0.000 0.000 0.239 440 I C 2.703 178.824 176.117 0.007 0.000 1.066 440 I CA 1.499 62.803 61.300 0.006 0.000 1.324 440 I CB -0.127 37.876 38.000 0.005 0.000 1.037 440 I HN 0.039 nan 8.210 nan 0.000 0.401 441 K N 0.361 120.765 120.400 0.007 0.000 2.283 441 K HA -0.048 4.272 4.320 0.000 0.000 0.202 441 K C 1.800 178.404 176.600 0.008 0.000 1.048 441 K CA 0.675 56.966 56.287 0.007 0.000 0.948 441 K CB -0.177 32.327 32.500 0.006 0.000 0.742 441 K HN 0.106 nan 8.250 nan 0.000 0.458 442 V N 0.341 120.260 119.914 0.008 0.000 2.307 442 V HA -0.240 3.880 4.120 0.000 0.000 0.245 442 V C 2.166 178.266 176.094 0.010 0.000 1.045 442 V CA 1.956 64.262 62.300 0.009 0.000 1.024 442 V CB -0.641 31.187 31.823 0.009 0.000 0.651 442 V HN 0.401 nan 8.190 nan 0.000 0.449 443 A N -0.086 122.740 122.820 0.009 0.000 1.883 443 A HA -0.175 4.145 4.320 0.000 0.000 0.217 443 A C 2.188 179.779 177.584 0.011 0.000 1.186 443 A CA 1.930 53.972 52.037 0.010 0.000 0.624 443 A CB -0.601 18.404 19.000 0.008 0.000 0.822 443 A HN 0.501 nan 8.150 nan 0.000 0.444 444 L N -1.193 120.036 121.223 0.010 0.000 2.083 444 L HA -0.183 4.157 4.340 0.000 0.000 0.209 444 L C 2.782 179.660 176.870 0.012 0.000 1.083 444 L CA 1.774 56.621 54.840 0.012 0.000 0.752 444 L CB -0.577 41.488 42.059 0.011 0.000 0.899 444 L HN 0.489 nan 8.230 nan 0.000 0.433 445 R N 0.647 121.154 120.500 0.011 0.000 2.091 445 R HA -0.191 4.150 4.340 0.000 0.000 0.238 445 R C 2.347 178.654 176.300 0.012 0.000 1.136 445 R CA 1.617 57.724 56.100 0.011 0.000 0.959 445 R CB -0.246 30.059 30.300 0.009 0.000 0.856 445 R HN 0.332 nan 8.270 nan 0.000 0.437 446 A N 0.616 123.443 122.820 0.012 0.000 1.930 446 A HA -0.127 4.193 4.320 0.000 0.000 0.217 446 A C 2.144 179.737 177.584 0.015 0.000 1.175 446 A CA 1.464 53.510 52.037 0.014 0.000 0.627 446 A CB -0.391 18.617 19.000 0.014 0.000 0.815 446 A HN 0.391 nan 8.150 nan 0.000 0.443 447 M N -0.416 119.194 119.600 0.015 0.000 2.446 447 M HA -0.116 4.364 4.480 0.000 0.000 0.263 447 M C 1.517 177.828 176.300 0.019 0.000 1.066 447 M CA 0.938 56.249 55.300 0.017 0.000 1.087 447 M CB -0.272 32.338 32.600 0.017 0.000 1.406 447 M HN 0.442 nan 8.290 nan 0.000 0.459 448 E N 0.339 120.550 120.200 0.018 0.000 2.347 448 E HA -0.074 4.277 4.350 0.000 0.000 0.196 448 E C 2.103 178.713 176.600 0.017 0.000 1.008 448 E CA 0.783 57.193 56.400 0.018 0.000 0.852 448 E CB 0.007 29.716 29.700 0.015 0.000 0.783 448 E HN 0.525 nan 8.360 nan 0.000 0.505 449 A N 2.245 125.075 122.820 0.017 0.000 1.908 449 A HA -0.129 4.191 4.320 0.000 0.000 0.218 449 A C -0.309 177.286 177.584 0.019 0.000 1.181 449 A CA 1.141 53.188 52.037 0.016 0.000 0.627 449 A CB -1.351 17.659 19.000 0.016 0.000 0.818 449 A HN 0.144 nan 8.150 nan 0.000 0.445 450 P HA -0.153 nan 4.420 nan 0.000 0.214 450 P C 1.729 179.048 177.300 0.031 0.000 1.163 450 P CA 0.987 64.102 63.100 0.025 0.000 0.883 450 P CB -0.103 31.612 31.700 0.024 0.000 0.788 451 L N -0.257 120.987 121.223 0.035 0.000 1.994 451 L HA -0.118 4.222 4.340 0.000 0.000 0.208 451 L C 2.362 179.253 176.870 0.035 0.000 1.071 451 L CA 1.881 56.750 54.840 0.049 0.000 0.745 451 L CB -0.935 41.150 42.059 0.044 0.000 0.892 451 L HN -0.226 nan 8.230 nan 0.000 0.431 452 R N -1.015 119.496 120.500 0.018 0.000 2.105 452 R HA -0.219 4.121 4.340 0.000 0.000 0.239 452 R C 2.312 178.621 176.300 0.015 0.000 1.135 452 R CA 1.592 57.697 56.100 0.008 0.000 0.967 452 R CB -0.362 29.942 30.300 0.006 0.000 0.861 452 R HN 0.430 nan 8.270 nan 0.000 0.442 453 Q N 0.909 120.721 119.800 0.020 0.000 2.137 453 Q HA -0.014 4.327 4.340 0.000 0.000 0.198 453 Q C 1.828 177.845 176.000 0.029 0.000 0.960 453 Q CA 1.257 57.073 55.803 0.021 0.000 0.847 453 Q CB -0.030 28.719 28.738 0.019 0.000 0.915 453 Q HN 0.304 nan 8.270 nan 0.000 0.448 454 I N -0.699 119.895 120.570 0.040 0.000 2.127 454 I HA -0.300 3.870 4.170 0.000 0.000 0.241 454 I C 2.010 178.174 176.117 0.078 0.000 1.075 454 I CA 1.110 62.444 61.300 0.056 0.000 1.334 454 I CB -0.338 37.705 38.000 0.071 0.000 1.040 454 I HN 0.058 nan 8.210 nan 0.000 0.405 455 V N 0.500 120.463 119.914 0.083 0.000 2.343 455 V HA -0.273 3.847 4.120 0.000 0.000 0.247 455 V C 2.342 178.460 176.094 0.039 0.000 1.051 455 V CA 1.664 64.004 62.300 0.067 0.000 1.036 455 V CB -0.506 31.305 31.823 -0.019 0.000 0.654 455 V HN 0.357 nan 8.190 nan 0.000 0.451 456 L N 0.741 121.980 121.223 0.025 0.000 2.056 456 L HA -0.120 4.221 4.340 0.000 0.000 0.207 456 L C 2.208 179.092 176.870 0.023 0.000 1.078 456 L CA 1.904 56.755 54.840 0.019 0.000 0.749 456 L CB -0.920 41.148 42.059 0.014 0.000 0.901 456 L HN 0.313 nan 8.230 nan 0.000 0.433 457 N N -0.980 117.736 118.700 0.026 0.000 2.120 457 N HA -0.189 4.552 4.740 0.000 0.000 0.188 457 N C 1.879 177.406 175.510 0.027 0.000 1.024 457 N CA 1.824 54.888 53.050 0.023 0.000 0.852 457 N CB -0.907 37.593 38.487 0.021 0.000 1.003 457 N HN 0.412 nan 8.380 nan 0.000 0.424 458 C N -0.694 118.631 119.300 0.042 0.000 2.464 458 C HA 0.227 4.688 4.460 0.000 0.000 0.278 458 C C 1.441 176.460 174.990 0.047 0.000 1.375 458 C CA 0.733 59.781 59.018 0.050 0.000 1.761 458 C CB -1.118 26.675 27.740 0.089 0.000 1.944 458 C HN 0.677 nan 8.230 nan 0.000 0.509 459 G N 1.523 110.349 108.800 0.043 0.000 2.392 459 G HA2 -0.079 3.881 3.960 0.000 0.000 0.215 459 G HA3 -0.079 3.881 3.960 0.000 0.000 0.215 459 G C -0.439 174.485 174.900 0.040 0.000 1.097 459 G CA 0.209 45.330 45.100 0.035 0.000 0.840 459 G HN 0.607 nan 8.290 nan 0.000 0.492 460 E N -0.546 119.675 120.200 0.034 0.000 2.433 460 E HA 0.551 4.901 4.350 0.000 0.000 0.273 460 E C -1.083 175.510 176.600 -0.012 0.000 0.950 460 E CA -1.094 55.315 56.400 0.014 0.000 0.796 460 E CB 1.219 30.927 29.700 0.014 0.000 1.330 460 E HN 0.061 nan 8.360 nan 0.000 0.455 461 E N 1.574 121.757 120.200 -0.027 0.000 2.129 461 E HA 0.155 4.505 4.350 0.000 0.000 0.283 461 E C -1.785 174.789 176.600 -0.043 0.000 1.080 461 E CA -1.817 54.568 56.400 -0.026 0.000 0.867 461 E CB 1.246 30.934 29.700 -0.020 0.000 1.056 461 E HN 0.221 nan 8.360 nan 0.000 0.404 462 P HA -0.227 nan 4.420 nan 0.000 0.216 462 P C 1.442 178.723 177.300 -0.032 0.000 1.157 462 P CA 1.661 64.742 63.100 -0.031 0.000 0.880 462 P CB 0.222 31.914 31.700 -0.012 0.000 0.791 463 S N -1.598 114.089 115.700 -0.021 0.000 2.402 463 S HA -0.085 4.385 4.470 0.000 0.000 0.229 463 S C 1.978 176.566 174.600 -0.019 0.000 1.021 463 S CA 1.193 59.384 58.200 -0.015 0.000 0.974 463 S CB -1.606 61.589 63.200 -0.009 0.000 0.800 463 S HN -0.047 nan 8.310 nan 0.000 0.484 464 V N 1.684 121.582 119.914 -0.027 0.000 2.323 464 V HA -0.071 4.049 4.120 0.000 0.000 0.244 464 V C 2.618 178.689 176.094 -0.038 0.000 1.041 464 V CA 1.447 63.731 62.300 -0.028 0.000 1.025 464 V CB -0.699 31.108 31.823 -0.027 0.000 0.656 464 V HN 0.447 nan 8.190 nan 0.000 0.451 465 V N 0.461 120.324 119.914 -0.085 0.000 2.515 465 V HA -0.171 3.950 4.120 0.000 0.000 0.250 465 V C 2.697 178.742 176.094 -0.082 0.000 1.058 465 V CA 1.594 63.801 62.300 -0.154 0.000 1.064 465 V CB -1.124 30.450 31.823 -0.415 0.000 0.675 465 V HN 0.525 nan 8.190 nan 0.000 0.461 466 A N 0.861 123.652 122.820 -0.048 0.000 1.883 466 A HA -0.322 3.998 4.320 0.000 0.000 0.217 466 A C 2.094 179.691 177.584 0.023 0.000 1.186 466 A CA 2.527 54.562 52.037 -0.005 0.000 0.624 466 A CB -0.859 18.139 19.000 -0.003 0.000 0.822 466 A HN 0.615 nan 8.150 nan 0.000 0.444 467 N N -0.479 118.231 118.700 0.016 0.000 2.142 467 N HA -0.149 4.591 4.740 0.000 0.000 0.186 467 N C 1.837 177.380 175.510 0.055 0.000 1.023 467 N CA 2.572 55.638 53.050 0.027 0.000 0.852 467 N CB -0.357 38.136 38.487 0.010 0.000 0.998 467 N HN 0.555 nan 8.380 nan 0.000 0.424 468 T N -2.447 112.147 114.554 0.066 0.000 2.777 468 T HA -0.052 4.298 4.350 0.000 0.000 0.266 468 T C 1.994 176.860 174.700 0.276 0.000 1.040 468 T CA 1.262 63.433 62.100 0.119 0.000 1.141 468 T CB -0.858 68.053 68.868 0.073 0.000 0.868 468 T HN -0.035 nan 8.240 nan 0.000 0.444 469 V N 1.980 122.035 119.914 0.236 0.000 2.407 469 V HA -0.114 4.007 4.120 0.000 0.000 0.248 469 V C 2.575 178.812 176.094 0.239 0.000 1.055 469 V CA 1.729 64.172 62.300 0.237 0.000 1.049 469 V CB -0.630 31.264 31.823 0.119 0.000 0.662 469 V HN 0.525 nan 8.190 nan 0.000 0.455 470 K N 0.400 120.890 120.400 0.150 0.000 2.574 470 K HA -0.032 4.289 4.320 0.000 0.000 0.193 470 K C 1.854 178.514 176.600 0.100 0.000 1.035 470 K CA 0.816 57.168 56.287 0.109 0.000 0.982 470 K CB -0.320 32.219 32.500 0.064 0.000 0.795 470 K HN 0.563 nan 8.250 nan 0.000 0.491 471 G N 0.580 109.466 108.800 0.143 0.000 2.813 471 G HA2 0.067 4.027 3.960 0.000 0.000 0.209 471 G HA3 0.067 4.027 3.960 0.000 0.000 0.209 471 G C 0.393 175.251 174.900 -0.071 0.000 1.150 471 G CA 0.214 45.350 45.100 0.060 0.000 0.785 471 G HN 0.322 nan 8.290 nan 0.000 0.535 472 G N -1.327 107.452 108.800 -0.035 0.000 2.694 472 G HA2 0.508 4.469 3.960 0.000 0.000 0.290 472 G HA3 0.508 4.469 3.960 0.000 0.000 0.290 472 G C -1.839 173.076 174.900 0.026 0.000 1.386 472 G CA -0.354 44.595 45.100 -0.252 0.000 0.872 472 G HN -0.039 nan 8.290 nan 0.000 0.475 473 D N -1.469 118.926 120.400 -0.008 0.000 2.616 473 D HA 0.638 5.278 4.640 0.000 0.000 0.260 473 D C 1.244 177.596 176.300 0.087 0.000 1.158 473 D CA 0.919 54.948 54.000 0.048 0.000 1.085 473 D CB 1.815 42.622 40.800 0.012 0.000 1.222 473 D HN 1.110 nan 8.370 nan 0.000 0.626 474 G N 0.775 109.616 108.800 0.069 0.000 2.574 474 G HA2 -0.294 3.667 3.960 0.000 0.000 0.286 474 G HA3 -0.294 3.667 3.960 0.000 0.000 0.286 474 G C 0.471 175.428 174.900 0.094 0.000 1.212 474 G CA 0.269 45.412 45.100 0.072 0.000 0.979 474 G HN 0.595 nan 8.290 nan 0.000 0.557 475 N N 0.353 119.113 118.700 0.100 0.000 2.279 475 N HA 0.137 4.877 4.740 0.000 0.000 0.226 475 N C 0.300 175.889 175.510 0.132 0.000 1.126 475 N CA 0.055 53.160 53.050 0.093 0.000 0.846 475 N CB 0.279 38.799 38.487 0.055 0.000 1.050 475 N HN 0.494 nan 8.380 nan 0.000 0.502 476 Y N 1.307 121.635 120.300 0.046 0.000 2.702 476 Y HA 0.233 4.783 4.550 0.001 0.000 0.336 476 Y C 0.936 176.887 175.900 0.086 0.000 1.235 476 Y CA 0.883 59.025 58.100 0.070 0.000 1.492 476 Y CB 0.328 38.836 38.460 0.080 0.000 1.308 476 Y HN 0.156 nan 8.280 nan 0.000 0.589 477 G N 3.606 112.052 108.800 -0.590 0.000 2.435 477 G HA2 0.269 4.230 3.960 0.000 0.000 0.296 477 G HA3 0.269 4.230 3.960 0.000 0.000 0.296 477 G C -2.202 172.384 174.900 -0.524 0.000 1.240 477 G CA -0.489 44.344 45.100 -0.445 0.000 0.872 477 G HN 0.949 nan 8.290 nan 0.000 0.480 478 Y N 0.373 120.299 120.300 -0.622 0.000 2.446 478 Y HA 0.755 5.305 4.550 0.000 0.000 0.345 478 Y C -0.432 175.192 175.900 -0.459 0.000 0.984 478 Y CA -1.375 56.199 58.100 -0.876 0.000 1.058 478 Y CB 2.069 39.734 38.460 -1.325 0.000 1.220 478 Y HN 0.460 nan 8.280 nan 0.000 0.455 479 N N 3.570 121.796 118.700 -0.791 0.000 2.406 479 N HA 0.127 4.867 4.740 0.000 0.000 0.265 479 N C 0.663 175.524 175.510 -1.081 0.000 1.203 479 N CA 0.651 53.279 53.050 -0.702 0.000 0.945 479 N CB 1.260 39.524 38.487 -0.371 0.000 1.165 479 N HN 0.912 nan 8.380 nan 0.000 0.485 480 A N 3.474 125.661 122.820 -1.055 0.000 2.186 480 A HA -0.015 4.305 4.320 0.000 0.000 0.219 480 A C 1.818 179.206 177.584 -0.327 0.000 1.159 480 A CA 1.588 53.177 52.037 -0.747 0.000 0.680 480 A CB -0.452 18.334 19.000 -0.357 0.000 0.787 480 A HN 0.736 nan 8.150 nan 0.000 0.467 481 A N -0.312 122.340 122.820 -0.279 0.000 1.903 481 A HA 0.073 4.394 4.320 0.000 0.000 0.217 481 A C 2.331 179.839 177.584 -0.126 0.000 1.387 481 A CA 1.919 53.863 52.037 -0.154 0.000 0.604 481 A CB -1.261 17.665 19.000 -0.123 0.000 1.043 481 A HN 0.745 nan 8.150 nan 0.000 0.481 482 T N -2.856 111.619 114.554 -0.132 0.000 3.088 482 T HA 0.160 4.510 4.350 0.000 0.000 0.259 482 T C 0.433 175.111 174.700 -0.035 0.000 1.122 482 T CA 1.173 63.232 62.100 -0.068 0.000 1.095 482 T CB -0.332 68.501 68.868 -0.057 0.000 0.930 482 T HN 0.642 nan 8.240 nan 0.000 0.508 483 E N -0.130 120.022 120.200 -0.080 0.000 3.927 483 E HA -0.153 4.198 4.350 0.000 0.000 0.330 483 E C -0.472 176.188 176.600 0.101 0.000 0.751 483 E CA 0.656 57.107 56.400 0.084 0.000 1.254 483 E CB -1.821 27.992 29.700 0.188 0.000 1.643 483 E HN 0.741 nan 8.360 nan 0.000 0.430 484 E N -0.072 120.123 120.200 -0.009 0.000 2.349 484 E HA 0.362 4.712 4.350 0.000 0.000 0.265 484 E C -0.468 176.102 176.600 -0.049 0.000 1.064 484 E CA -0.020 56.420 56.400 0.066 0.000 0.886 484 E CB 0.564 30.279 29.700 0.025 0.000 1.036 484 E HN 0.042 nan 8.360 nan 0.000 0.413 485 Y N -0.023 120.286 120.300 0.015 0.000 2.496 485 Y HA 0.660 5.210 4.550 0.000 0.000 0.331 485 Y C 0.857 176.743 175.900 -0.023 0.000 1.140 485 Y CA -0.009 58.065 58.100 -0.044 0.000 1.166 485 Y CB 2.286 40.745 38.460 -0.003 0.000 1.249 485 Y HN 0.702 nan 8.280 nan 0.000 0.479 486 G N 0.946 109.769 108.800 0.038 0.000 2.351 486 G HA2 -0.004 3.956 3.960 0.000 0.000 0.279 486 G HA3 -0.004 3.956 3.960 0.000 0.000 0.279 486 G C -1.734 173.219 174.900 0.088 0.000 1.297 486 G CA -1.326 43.863 45.100 0.148 0.000 0.886 486 G HN 0.573 nan 8.290 nan 0.000 0.493 487 N N 0.992 119.770 118.700 0.129 0.000 2.452 487 N HA 0.202 4.942 4.740 0.000 0.000 0.266 487 N C 1.888 177.405 175.510 0.011 0.000 1.175 487 N CA -0.212 52.892 53.050 0.089 0.000 0.945 487 N CB 0.524 39.064 38.487 0.088 0.000 1.063 487 N HN 0.411 nan 8.380 nan 0.000 0.472 488 M N 3.353 122.942 119.600 -0.018 0.000 2.202 488 M HA -0.152 4.328 4.480 0.000 0.000 0.262 488 M C 1.369 177.652 176.300 -0.029 0.000 1.063 488 M CA 1.315 56.585 55.300 -0.050 0.000 1.097 488 M CB -0.551 32.017 32.600 -0.053 0.000 1.382 488 M HN 0.640 nan 8.290 nan 0.000 0.413 489 I N -0.499 120.068 120.570 -0.005 0.000 2.270 489 I HA -0.218 3.953 4.170 0.000 0.000 0.239 489 I C 2.003 178.119 176.117 -0.002 0.000 1.080 489 I CA 0.934 62.233 61.300 -0.002 0.000 1.383 489 I CB -0.481 37.524 38.000 0.008 0.000 1.097 489 I HN 0.231 nan 8.210 nan 0.000 0.420 490 D N 0.890 121.295 120.400 0.007 0.000 2.178 490 D HA -0.144 4.496 4.640 0.000 0.000 0.201 490 D C 2.077 178.377 176.300 -0.001 0.000 0.980 490 D CA 1.393 55.397 54.000 0.007 0.000 0.842 490 D CB 0.029 40.839 40.800 0.017 0.000 0.948 490 D HN 0.365 nan 8.370 nan 0.000 0.472 491 M N -0.788 118.809 119.600 -0.007 0.000 2.561 491 M HA 0.112 4.592 4.480 0.000 0.000 0.238 491 M C 1.194 177.474 176.300 -0.033 0.000 1.131 491 M CA 0.440 55.729 55.300 -0.018 0.000 1.046 491 M CB 0.842 33.428 32.600 -0.023 0.000 1.532 491 M HN 0.026 nan 8.290 nan 0.000 0.497 492 G N 1.076 109.857 108.800 -0.032 0.000 2.132 492 G HA2 -0.179 3.781 3.960 0.000 0.000 0.234 492 G HA3 -0.179 3.781 3.960 0.000 0.000 0.234 492 G C 0.193 175.062 174.900 -0.052 0.000 0.989 492 G CA -0.323 44.756 45.100 -0.036 0.000 0.676 492 G HN 0.394 nan 8.290 nan 0.000 0.522 493 I N 1.511 122.041 120.570 -0.067 0.000 3.832 493 I HA 0.301 4.471 4.170 0.000 0.000 0.324 493 I C 1.165 177.242 176.117 -0.067 0.000 1.447 493 I CA -0.470 60.776 61.300 -0.090 0.000 1.242 493 I CB -1.693 36.223 38.000 -0.141 0.000 1.212 493 I HN 0.309 nan 8.210 nan 0.000 0.415 494 L N -0.851 120.346 121.223 -0.044 0.000 2.488 494 L HA 0.744 5.084 4.340 0.000 0.000 0.249 494 L C -0.163 176.693 176.870 -0.024 0.000 1.151 494 L CA 0.025 54.848 54.840 -0.027 0.000 0.806 494 L CB 0.384 42.433 42.059 -0.017 0.000 1.261 494 L HN -0.082 nan 8.230 nan 0.000 0.484 495 D N -1.812 118.580 120.400 -0.012 0.000 2.661 495 D HA 0.421 5.061 4.640 0.000 0.000 0.228 495 D C -2.830 173.471 176.300 0.002 0.000 1.183 495 D CA -1.107 52.889 54.000 -0.006 0.000 0.844 495 D CB 2.222 43.020 40.800 -0.003 0.000 1.555 495 D HN 0.361 nan 8.370 nan 0.000 0.453 496 P HA 0.073 nan 4.420 nan 0.000 0.265 496 P C 0.835 178.142 177.300 0.013 0.000 1.193 496 P CA 0.074 63.180 63.100 0.011 0.000 0.765 496 P CB 0.576 32.285 31.700 0.015 0.000 0.823 497 T N 2.105 116.667 114.554 0.013 0.000 2.759 497 T HA -0.198 4.152 4.350 0.000 0.000 0.269 497 T C 1.633 176.344 174.700 0.018 0.000 1.042 497 T CA 1.325 63.434 62.100 0.014 0.000 1.140 497 T CB -0.308 68.568 68.868 0.013 0.000 0.864 497 T HN 0.496 nan 8.240 nan 0.000 0.455 498 K N 0.859 121.272 120.400 0.020 0.000 2.020 498 K HA -0.158 4.162 4.320 0.000 0.000 0.212 498 K C 2.380 179.000 176.600 0.033 0.000 1.050 498 K CA 1.943 58.246 56.287 0.026 0.000 0.929 498 K CB -0.389 32.128 32.500 0.027 0.000 0.714 498 K HN 0.376 nan 8.250 nan 0.000 0.443 499 V N -1.586 118.347 119.914 0.031 0.000 2.515 499 V HA -0.145 3.975 4.120 0.000 0.000 0.250 499 V C 1.884 178.000 176.094 0.037 0.000 1.058 499 V CA 2.093 64.414 62.300 0.035 0.000 1.064 499 V CB -0.913 30.926 31.823 0.026 0.000 0.675 499 V HN 0.253 nan 8.190 nan 0.000 0.461 500 T N 0.400 114.971 114.554 0.028 0.000 2.701 500 T HA -0.131 4.219 4.350 0.000 0.000 0.263 500 T C 2.009 176.725 174.700 0.027 0.000 1.040 500 T CA 2.013 64.128 62.100 0.025 0.000 1.147 500 T CB -0.337 68.542 68.868 0.018 0.000 0.865 500 T HN 0.530 nan 8.240 nan 0.000 0.426 501 R N 0.708 121.221 120.500 0.022 0.000 2.083 501 R HA -0.101 4.239 4.340 0.000 0.000 0.237 501 R C 2.776 179.084 176.300 0.015 0.000 1.137 501 R CA 1.714 57.821 56.100 0.011 0.000 0.951 501 R CB -0.538 29.765 30.300 0.005 0.000 0.851 501 R HN 0.277 nan 8.270 nan 0.000 0.434 502 S N -0.252 115.477 115.700 0.049 0.000 2.353 502 S HA -0.167 4.303 4.470 0.000 0.000 0.222 502 S C 1.972 176.682 174.600 0.182 0.000 1.035 502 S CA 1.428 59.702 58.200 0.122 0.000 1.025 502 S CB -0.313 62.982 63.200 0.159 0.000 0.902 502 S HN 0.560 nan 8.310 nan 0.000 0.440 503 A N 1.310 124.205 122.820 0.125 0.000 1.940 503 A HA -0.027 4.293 4.320 0.000 0.000 0.219 503 A C 2.256 179.892 177.584 0.087 0.000 1.176 503 A CA 1.626 53.730 52.037 0.112 0.000 0.631 503 A CB -0.858 18.181 19.000 0.065 0.000 0.814 503 A HN 0.616 nan 8.150 nan 0.000 0.446 504 L N -0.810 120.442 121.223 0.048 0.000 1.994 504 L HA -0.261 4.080 4.340 0.000 0.000 0.208 504 L C 2.790 179.661 176.870 0.001 0.000 1.071 504 L CA 1.997 56.850 54.840 0.022 0.000 0.745 504 L CB -0.416 41.649 42.059 0.009 0.000 0.892 504 L HN 0.482 nan 8.230 nan 0.000 0.431 505 Q N -1.229 118.543 119.800 -0.047 0.000 2.050 505 Q HA -0.235 4.106 4.340 0.000 0.000 0.202 505 Q C 2.084 177.993 176.000 -0.152 0.000 0.980 505 Q CA 2.061 57.776 55.803 -0.145 0.000 0.840 505 Q CB -0.258 28.317 28.738 -0.272 0.000 0.898 505 Q HN 0.527 nan 8.270 nan 0.000 0.424 506 Y N 0.051 120.351 120.300 0.001 0.000 2.242 506 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 506 Y C 2.334 178.234 175.900 0.001 0.000 1.137 506 Y CA 0.932 59.032 58.100 -0.000 0.000 1.181 506 Y CB -0.568 37.891 38.460 -0.002 0.000 0.989 506 Y HN 0.140 nan 8.280 nan 0.000 0.527 507 A N 0.093 122.997 122.820 0.141 0.000 1.902 507 A HA -0.147 4.173 4.320 0.000 0.000 0.217 507 A C 2.472 180.087 177.584 0.052 0.000 1.181 507 A CA 1.879 53.964 52.037 0.081 0.000 0.623 507 A CB -1.247 17.788 19.000 0.059 0.000 0.818 507 A HN 0.387 nan 8.150 nan 0.000 0.443 508 A N -0.983 121.855 122.820 0.031 0.000 1.933 508 A HA -0.107 4.214 4.320 0.000 0.000 0.218 508 A C 2.456 180.049 177.584 0.016 0.000 1.175 508 A CA 2.162 54.207 52.037 0.013 0.000 0.628 508 A CB -0.924 18.072 19.000 -0.007 0.000 0.814 508 A HN 0.502 nan 8.150 nan 0.000 0.444 509 S N -0.449 115.265 115.700 0.022 0.000 2.343 509 S HA -0.160 4.310 4.470 0.000 0.000 0.219 509 S C 2.027 176.659 174.600 0.053 0.000 1.033 509 S CA 2.041 60.263 58.200 0.036 0.000 1.014 509 S CB -0.712 62.522 63.200 0.057 0.000 0.915 509 S HN 0.714 nan 8.310 nan 0.000 0.435 510 V N 1.177 121.133 119.914 0.069 0.000 2.407 510 V HA -0.024 4.096 4.120 0.000 0.000 0.248 510 V C 2.582 178.698 176.094 0.038 0.000 1.055 510 V CA 1.550 63.882 62.300 0.053 0.000 1.049 510 V CB -1.805 30.049 31.823 0.050 0.000 0.662 510 V HN 0.512 nan 8.190 nan 0.000 0.455 511 A N 1.676 124.516 122.820 0.034 0.000 1.858 511 A HA 0.004 4.324 4.320 0.000 0.000 0.216 511 A C 2.443 180.041 177.584 0.023 0.000 1.190 511 A CA 2.146 54.198 52.037 0.026 0.000 0.617 511 A CB -1.541 17.473 19.000 0.023 0.000 0.827 511 A HN 0.604 nan 8.150 nan 0.000 0.443 512 G N -0.567 108.246 108.800 0.021 0.000 2.418 512 G HA2 -0.075 3.885 3.960 0.000 0.000 0.217 512 G HA3 -0.075 3.885 3.960 0.000 0.000 0.217 512 G C 1.393 176.306 174.900 0.021 0.000 1.158 512 G CA 1.206 46.317 45.100 0.018 0.000 0.771 512 G HN 0.330 nan 8.290 nan 0.000 0.545 513 L N 0.266 121.504 121.223 0.025 0.000 2.027 513 L HA 0.100 4.440 4.340 0.000 0.000 0.206 513 L C 3.056 179.942 176.870 0.027 0.000 1.074 513 L CA 1.364 56.220 54.840 0.027 0.000 0.745 513 L CB -0.619 41.458 42.059 0.031 0.000 0.898 513 L HN 0.197 nan 8.230 nan 0.000 0.433 514 M N -1.439 118.178 119.600 0.027 0.000 2.159 514 M HA -0.214 4.266 4.480 0.000 0.000 0.263 514 M C 2.306 178.622 176.300 0.026 0.000 1.063 514 M CA 1.683 57.000 55.300 0.027 0.000 1.110 514 M CB -0.401 32.215 32.600 0.026 0.000 1.374 514 M HN 0.190 nan 8.290 nan 0.000 0.411 515 I N -0.041 120.543 120.570 0.024 0.000 2.264 515 I HA -0.237 3.934 4.170 0.000 0.000 0.248 515 I C 1.789 177.921 176.117 0.024 0.000 1.111 515 I CA 1.573 62.886 61.300 0.022 0.000 1.382 515 I CB -0.408 37.603 38.000 0.019 0.000 1.060 515 I HN 0.371 nan 8.210 nan 0.000 0.418 516 T N -3.066 111.502 114.554 0.025 0.000 3.258 516 T HA 0.194 4.545 4.350 0.000 0.000 0.263 516 T C 0.336 175.055 174.700 0.032 0.000 0.983 516 T CA -0.350 61.766 62.100 0.027 0.000 0.907 516 T CB -0.332 68.550 68.868 0.023 0.000 1.096 516 T HN -0.080 nan 8.240 nan 0.000 0.556 517 T N 2.606 117.181 114.554 0.035 0.000 2.758 517 T HA 0.333 4.684 4.350 0.000 0.000 0.285 517 T C 0.487 175.219 174.700 0.053 0.000 0.981 517 T CA -0.657 61.468 62.100 0.041 0.000 0.965 517 T CB 1.494 70.383 68.868 0.036 0.000 0.927 517 T HN 0.193 nan 8.240 nan 0.000 0.448 518 E N 0.795 121.036 120.200 0.069 0.000 2.473 518 E HA 0.183 4.533 4.350 0.000 0.000 0.204 518 E C 0.403 177.089 176.600 0.145 0.000 0.994 518 E CA 0.083 56.545 56.400 0.104 0.000 0.945 518 E CB 0.589 30.356 29.700 0.112 0.000 0.990 518 E HN 0.474 nan 8.360 nan 0.000 0.493 519 C N 0.903 120.254 119.300 0.084 0.000 2.985 519 C HA 0.641 5.101 4.460 0.000 0.000 0.332 519 C C -1.534 173.436 174.990 -0.033 0.000 1.164 519 C CA -0.618 58.398 59.018 -0.004 0.000 1.347 519 C CB 0.421 28.205 27.740 0.073 0.000 1.764 519 C HN 0.142 nan 8.230 nan 0.000 0.489 520 M N 5.058 124.616 119.600 -0.070 0.000 2.395 520 M HA 0.677 5.158 4.480 0.000 0.000 0.307 520 M C -1.165 175.149 176.300 0.025 0.000 1.091 520 M CA -0.638 54.681 55.300 0.031 0.000 0.919 520 M CB 2.166 34.889 32.600 0.206 0.000 1.662 520 M HN 0.389 nan 8.290 nan 0.000 0.440 521 V N 0.993 120.872 119.914 -0.058 0.000 2.638 521 V HA 0.772 4.892 4.120 0.000 0.000 0.306 521 V C -0.577 175.392 176.094 -0.208 0.000 1.052 521 V CA -0.496 61.746 62.300 -0.097 0.000 0.885 521 V CB 2.109 33.892 31.823 -0.066 0.000 0.999 521 V HN 0.940 nan 8.190 nan 0.000 0.424 522 T N 2.289 116.679 114.554 -0.274 0.000 2.982 522 T HA 0.340 4.690 4.350 0.000 0.000 0.321 522 T C -1.235 173.346 174.700 -0.199 0.000 1.229 522 T CA -0.583 61.326 62.100 -0.317 0.000 1.044 522 T CB 1.665 70.176 68.868 -0.595 0.000 1.184 522 T HN 0.694 nan 8.240 nan 0.000 0.477 523 D N 2.424 122.741 120.400 -0.139 0.000 2.360 523 D HA 0.292 4.932 4.640 0.000 0.000 0.242 523 D C 0.117 176.361 176.300 -0.093 0.000 1.184 523 D CA -0.072 53.875 54.000 -0.089 0.000 0.930 523 D CB 0.893 41.655 40.800 -0.064 0.000 1.161 523 D HN 0.429 nan 8.370 nan 0.000 0.447 524 L N 0.844 122.036 121.223 -0.052 0.000 2.325 524 L HA 0.671 5.011 4.340 0.000 0.000 0.279 524 L C -1.134 175.718 176.870 -0.029 0.000 1.054 524 L CA -0.469 54.352 54.840 -0.033 0.000 0.804 524 L CB 1.165 43.221 42.059 -0.005 0.000 1.200 524 L HN 0.519 nan 8.230 nan 0.000 0.436 525 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