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 1rf6_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLKTNIRHL HGIIRVPGDK SISHRSIIFG SLAEGETKVY DILRGEDVLS DATA SEQUENCE TMQVFRDLGV EIEDKDGVIT VQGVGMAGLK APQNALNMGN SGTSIRLISG DATA SEQUENCE VLAGADFEVE MFGDDSLSKR PMDRVTLPLK KMGVSISGQT ERDLPPLRLK DATA SEQUENCE GTKNLRPIHY ELPIASAQVK SALMFAALQA KGESVIIEKE YTRNHTEDML DATA SEQUENCE QQFGGHLSVD GKKITVQGPQ KLTGQKVVVP GDISSAAFWL VAGLIAPNSR DATA SEQUENCE LVLQNVGINE TRTGIIDVIR AMGGKLEITE IDPVAKSATL IVESSDLKGT DATA SEQUENCE EICGALIPRL IDELPIIALL ATQAQGVTVI KDAEELKVKE TDRIQVVADA DATA SEQUENCE LNSMGADITP TADGMIIKGK SALHGARVNT FGDHRIGMMT AIAALLVADG DATA SEQUENCE EVELDRAEAI NTSYPSFFDD LESLIHG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.245 176.300 -0.091 0.000 1.140 1 M CA 0.000 55.242 55.300 -0.096 0.000 0.988 1 M CB 0.000 32.505 32.600 -0.158 0.000 1.302 2 K N 1.840 122.182 120.400 -0.096 0.000 2.258 2 K HA 0.577 4.896 4.320 -0.000 0.000 0.284 2 K C -1.581 174.963 176.600 -0.094 0.000 1.051 2 K CA -0.550 55.693 56.287 -0.074 0.000 0.923 2 K CB 0.802 33.266 32.500 -0.060 0.000 1.046 2 K HN 0.627 nan 8.250 nan 0.000 0.474 3 L N 3.888 125.081 121.223 -0.050 0.000 2.343 3 L HA 0.322 4.662 4.340 -0.000 0.000 0.275 3 L C -0.187 176.681 176.870 -0.004 0.000 1.056 3 L CA -0.379 54.450 54.840 -0.018 0.000 0.804 3 L CB 1.146 43.234 42.059 0.050 0.000 1.203 3 L HN 0.518 nan 8.230 nan 0.000 0.440 4 K N 0.673 121.079 120.400 0.010 0.000 2.448 4 K HA 0.355 4.675 4.320 -0.000 0.000 0.278 4 K C 0.094 176.702 176.600 0.014 0.000 1.009 4 K CA 0.268 56.557 56.287 0.003 0.000 0.995 4 K CB 0.413 32.914 32.500 0.002 0.000 0.917 4 K HN 0.641 nan 8.250 nan 0.000 0.481 5 T N 1.733 116.288 114.554 0.001 0.000 2.888 5 T HA 0.296 4.646 4.350 -0.000 0.000 0.288 5 T C -0.480 174.217 174.700 -0.006 0.000 1.063 5 T CA -0.759 61.344 62.100 0.006 0.000 1.010 5 T CB 0.521 69.395 68.868 0.010 0.000 1.214 5 T HN 0.841 nan 8.240 nan 0.000 0.533 6 N N 1.237 119.936 118.700 -0.002 0.000 2.705 6 N HA -0.181 4.559 4.740 -0.000 0.000 0.255 6 N C -0.561 174.927 175.510 -0.036 0.000 1.008 6 N CA -0.185 52.859 53.050 -0.010 0.000 0.742 6 N CB -0.708 37.775 38.487 -0.006 0.000 0.906 6 N HN 0.465 nan 8.380 nan 0.000 0.541 7 I N 1.577 122.122 120.570 -0.043 0.000 2.618 7 I HA 0.007 4.176 4.170 -0.000 0.000 0.284 7 I C 1.492 177.541 176.117 -0.113 0.000 1.146 7 I CA 0.042 61.285 61.300 -0.096 0.000 1.425 7 I CB 0.854 38.812 38.000 -0.071 0.000 1.383 7 I HN 0.153 nan 8.210 nan 0.000 0.562 8 R N 5.252 125.615 120.500 -0.228 0.000 2.312 8 R HA 0.206 4.546 4.340 -0.000 0.000 0.205 8 R C -0.730 175.509 176.300 -0.102 0.000 0.904 8 R CA 0.025 56.026 56.100 -0.165 0.000 1.052 8 R CB -1.026 29.198 30.300 -0.127 0.000 1.014 8 R HN 0.902 nan 8.270 nan 0.000 0.503 9 H N -3.236 115.840 119.070 0.011 0.000 2.988 9 H HA 0.430 4.986 4.556 -0.000 0.000 0.284 9 H C -1.468 173.812 175.328 -0.081 0.000 1.284 9 H CA -0.826 55.230 56.048 0.014 0.000 1.431 9 H CB 0.150 29.961 29.762 0.082 0.000 1.954 9 H HN -0.110 nan 8.280 nan 0.000 0.509 10 L N 2.676 123.959 121.223 0.099 0.000 2.439 10 L HA 0.638 4.978 4.340 -0.000 0.000 0.270 10 L C -1.214 175.645 176.870 -0.017 0.000 0.972 10 L CA -0.700 54.106 54.840 -0.057 0.000 0.836 10 L CB 1.774 43.829 42.059 -0.007 0.000 1.255 10 L HN 1.045 nan 8.230 nan 0.000 0.404 11 H N 0.965 120.052 119.070 0.028 0.000 3.046 11 H HA 0.923 5.479 4.556 -0.000 0.000 0.363 11 H C -0.475 174.826 175.328 -0.045 0.000 1.203 11 H CA -0.744 55.300 56.048 -0.006 0.000 1.169 11 H CB 1.981 31.740 29.762 -0.005 0.000 1.851 11 H HN 0.791 nan 8.280 nan 0.000 0.546 12 G N 0.371 109.234 108.800 0.106 0.000 2.359 12 G HA2 0.270 4.230 3.960 -0.000 0.000 0.314 12 G HA3 0.270 4.230 3.960 -0.000 0.000 0.314 12 G C -1.739 173.142 174.900 -0.032 0.000 1.364 12 G CA -0.808 44.310 45.100 0.031 0.000 0.978 12 G HN 0.701 nan 8.290 nan 0.000 0.615 13 I N 0.818 121.364 120.570 -0.041 0.000 2.359 13 I HA 0.525 4.695 4.170 -0.000 0.000 0.294 13 I C -0.233 175.832 176.117 -0.087 0.000 0.987 13 I CA -0.900 60.372 61.300 -0.047 0.000 1.225 13 I CB 1.512 39.500 38.000 -0.021 0.000 1.366 13 I HN 0.244 nan 8.210 nan 0.000 0.466 14 I N 5.918 126.432 120.570 -0.094 0.000 2.545 14 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 14 I C -0.241 175.868 176.117 -0.014 0.000 1.040 14 I CA -0.718 60.516 61.300 -0.109 0.000 1.068 14 I CB 2.084 39.919 38.000 -0.275 0.000 1.251 14 I HN 0.542 nan 8.210 nan 0.000 0.424 15 R N 4.561 125.070 120.500 0.015 0.000 2.335 15 R HA 0.423 4.763 4.340 -0.000 0.000 0.302 15 R C -0.220 176.118 176.300 0.064 0.000 1.147 15 R CA -0.566 55.557 56.100 0.038 0.000 1.111 15 R CB 1.515 31.831 30.300 0.025 0.000 1.122 15 R HN 0.535 nan 8.270 nan 0.000 0.557 16 V N 0.816 120.786 119.914 0.092 0.000 3.032 16 V HA 0.177 4.297 4.120 -0.000 0.000 0.307 16 V C -1.562 174.506 176.094 -0.044 0.000 1.097 16 V CA -1.285 61.049 62.300 0.057 0.000 1.191 16 V CB -0.196 31.674 31.823 0.077 0.000 0.964 16 V HN 0.517 nan 8.190 nan 0.000 0.494 17 P HA 0.240 nan 4.420 nan 0.000 0.273 17 P C 0.421 177.660 177.300 -0.101 0.000 1.250 17 P CA 0.223 63.252 63.100 -0.118 0.000 0.793 17 P CB 0.288 31.891 31.700 -0.162 0.000 1.011 18 G N 0.310 109.072 108.800 -0.063 0.000 2.647 18 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.234 18 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.234 18 G C -0.030 174.828 174.900 -0.069 0.000 1.252 18 G CA -0.241 44.828 45.100 -0.052 0.000 0.846 18 G HN 0.613 nan 8.290 nan 0.000 0.589 19 D N 0.664 121.027 120.400 -0.062 0.000 2.434 19 D HA -0.022 4.618 4.640 -0.000 0.000 0.252 19 D C 1.312 177.559 176.300 -0.088 0.000 1.185 19 D CA -0.024 53.932 54.000 -0.073 0.000 0.886 19 D CB 0.739 41.477 40.800 -0.103 0.000 1.148 19 D HN 0.488 nan 8.370 nan 0.000 0.483 20 K N 2.249 122.608 120.400 -0.069 0.000 2.032 20 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 20 K C 1.868 178.444 176.600 -0.040 0.000 1.048 20 K CA 1.307 57.532 56.287 -0.102 0.000 0.927 20 K CB 0.106 32.587 32.500 -0.032 0.000 0.712 20 K HN 0.253 nan 8.250 nan 0.000 0.441 21 S N 0.810 116.537 115.700 0.045 0.000 2.356 21 S HA -0.110 4.360 4.470 -0.000 0.000 0.223 21 S C 1.884 176.510 174.600 0.044 0.000 1.032 21 S CA 1.484 59.756 58.200 0.121 0.000 1.005 21 S CB -0.245 63.022 63.200 0.112 0.000 0.867 21 S HN 0.287 nan 8.310 nan 0.000 0.449 22 I N 1.853 122.340 120.570 -0.139 0.000 2.315 22 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 22 I C 2.642 178.764 176.117 0.010 0.000 1.117 22 I CA 1.221 62.462 61.300 -0.097 0.000 1.404 22 I CB -0.439 37.447 38.000 -0.190 0.000 1.071 22 I HN 0.368 nan 8.210 nan 0.000 0.419 23 S N -0.346 115.335 115.700 -0.033 0.000 2.383 23 S HA -0.230 4.240 4.470 -0.000 0.000 0.227 23 S C 1.862 176.464 174.600 0.002 0.000 1.026 23 S CA 1.114 59.291 58.200 -0.039 0.000 0.981 23 S CB -0.801 62.331 63.200 -0.113 0.000 0.818 23 S HN 0.498 nan 8.310 nan 0.000 0.472 24 H N 1.394 120.477 119.070 0.021 0.000 2.319 24 H HA 0.082 4.638 4.556 -0.000 0.000 0.299 24 H C 2.613 177.958 175.328 0.028 0.000 1.092 24 H CA 1.822 57.888 56.048 0.029 0.000 1.302 24 H CB 0.004 29.791 29.762 0.043 0.000 1.373 24 H HN 0.349 nan 8.280 nan 0.000 0.497 25 R N 0.178 120.814 120.500 0.227 0.000 2.115 25 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 25 R C 2.620 179.051 176.300 0.218 0.000 1.111 25 R CA 1.198 57.450 56.100 0.253 0.000 0.976 25 R CB -0.075 30.477 30.300 0.420 0.000 0.870 25 R HN 0.359 nan 8.270 nan 0.000 0.445 26 S N 0.762 116.551 115.700 0.149 0.000 2.399 26 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 26 S C 1.944 176.554 174.600 0.016 0.000 1.022 26 S CA 0.881 59.157 58.200 0.126 0.000 0.983 26 S CB -0.161 63.109 63.200 0.118 0.000 0.803 26 S HN 0.102 nan 8.310 nan 0.000 0.480 27 I N 1.715 122.252 120.570 -0.056 0.000 2.406 27 I HA 0.050 4.220 4.170 -0.000 0.000 0.249 27 I C 2.419 178.224 176.117 -0.520 0.000 1.122 27 I CA 0.658 61.840 61.300 -0.196 0.000 1.431 27 I CB -1.149 36.785 38.000 -0.111 0.000 1.087 27 I HN 0.338 nan 8.210 nan 0.000 0.424 28 I N 0.120 120.370 120.570 -0.534 0.000 2.163 28 I HA -0.297 3.873 4.170 -0.000 0.000 0.240 28 I C 2.538 178.208 176.117 -0.745 0.000 1.081 28 I CA 1.563 62.343 61.300 -0.867 0.000 1.353 28 I CB -0.456 37.058 38.000 -0.810 0.000 1.054 28 I HN 0.000 nan 8.210 nan 0.000 0.407 29 F N 0.983 120.609 119.950 -0.541 0.000 2.134 29 F HA -0.137 4.390 4.527 0.000 0.000 0.299 29 F C 2.596 178.035 175.800 -0.602 0.000 1.097 29 F CA 1.524 59.084 58.000 -0.733 0.000 1.264 29 F CB -0.987 37.140 39.000 -1.455 0.000 1.001 29 F HN 0.041 nan 8.300 nan 0.000 0.479 30 G N -0.979 107.693 108.800 -0.213 0.000 2.442 30 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 30 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 30 G C 1.789 176.647 174.900 -0.070 0.000 1.141 30 G CA 1.224 46.345 45.100 0.035 0.000 0.763 30 G HN 0.350 nan 8.290 nan 0.000 0.554 31 S N 0.321 115.853 115.700 -0.280 0.000 2.371 31 S HA 0.076 4.546 4.470 -0.000 0.000 0.224 31 S C 2.191 176.705 174.600 -0.144 0.000 1.029 31 S CA 0.555 58.593 58.200 -0.269 0.000 0.978 31 S CB -0.166 62.667 63.200 -0.610 0.000 0.833 31 S HN 0.296 nan 8.310 nan 0.000 0.466 32 L N 0.963 122.074 121.223 -0.186 0.000 2.395 32 L HA 0.157 4.497 4.340 -0.000 0.000 0.218 32 L C 1.302 178.184 176.870 0.021 0.000 1.130 32 L CA -0.070 54.722 54.840 -0.080 0.000 0.826 32 L CB -0.643 41.335 42.059 -0.135 0.000 0.941 32 L HN 0.198 nan 8.230 nan 0.000 0.451 33 A N 0.308 123.168 122.820 0.068 0.000 2.280 33 A HA 0.304 4.624 4.320 -0.000 0.000 0.268 33 A C 0.021 177.675 177.584 0.117 0.000 1.111 33 A CA -0.268 51.868 52.037 0.164 0.000 0.814 33 A CB 0.325 19.528 19.000 0.340 0.000 1.093 33 A HN 0.198 nan 8.150 nan 0.000 0.498 34 E N -0.801 119.470 120.200 0.119 0.000 2.179 34 E HA 0.516 4.866 4.350 -0.000 0.000 0.275 34 E C 0.233 176.881 176.600 0.079 0.000 0.945 34 E CA 0.358 56.807 56.400 0.083 0.000 0.792 34 E CB 1.569 31.311 29.700 0.071 0.000 1.125 34 E HN 1.375 nan 8.360 nan 0.000 0.397 35 G N 2.299 111.135 108.800 0.060 0.000 2.631 35 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.504 35 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.504 35 G C -0.740 174.193 174.900 0.055 0.000 1.306 35 G CA -0.723 44.406 45.100 0.049 0.000 0.897 35 G HN 0.583 nan 8.290 nan 0.000 0.520 36 E N -0.627 119.598 120.200 0.041 0.000 2.301 36 E HA 0.616 4.966 4.350 -0.000 0.000 0.275 36 E C -0.320 176.310 176.600 0.050 0.000 1.030 36 E CA -0.228 56.196 56.400 0.040 0.000 0.852 36 E CB 0.896 30.611 29.700 0.026 0.000 1.060 36 E HN 0.478 nan 8.360 nan 0.000 0.401 37 T N 4.023 118.616 114.554 0.066 0.000 2.861 37 T HA 0.380 4.730 4.350 -0.000 0.000 0.287 37 T C -0.964 173.763 174.700 0.046 0.000 1.003 37 T CA -0.740 61.414 62.100 0.089 0.000 0.977 37 T CB 1.115 70.115 68.868 0.220 0.000 0.996 37 T HN 0.308 nan 8.240 nan 0.000 0.448 38 K N 2.234 122.658 120.400 0.039 0.000 2.376 38 K HA 0.675 4.995 4.320 -0.000 0.000 0.257 38 K C -1.190 175.371 176.600 -0.066 0.000 0.939 38 K CA -0.787 55.465 56.287 -0.058 0.000 0.809 38 K CB 2.231 34.702 32.500 -0.047 0.000 1.121 38 K HN 0.285 nan 8.250 nan 0.000 0.425 39 V N 3.924 123.724 119.914 -0.190 0.000 2.417 39 V HA 0.357 4.477 4.120 -0.000 0.000 0.291 39 V C -1.026 174.905 176.094 -0.272 0.000 1.024 39 V CA -0.915 61.329 62.300 -0.093 0.000 0.861 39 V CB 0.488 32.297 31.823 -0.024 0.000 0.985 39 V HN 0.577 nan 8.190 nan 0.000 0.436 40 Y N 1.990 122.295 120.300 0.007 0.000 2.387 40 Y HA 0.440 4.990 4.550 -0.000 0.000 0.336 40 Y C 0.850 176.748 175.900 -0.002 0.000 1.067 40 Y CA -0.992 57.109 58.100 0.001 0.000 1.114 40 Y CB 1.113 39.572 38.460 -0.002 0.000 1.208 40 Y HN 0.777 nan 8.280 nan 0.000 0.458 41 D N 0.716 121.189 120.400 0.122 0.000 2.772 41 D HA -0.258 4.382 4.640 -0.000 0.000 0.233 41 D C -0.111 176.206 176.300 0.028 0.000 1.143 41 D CA 0.616 54.656 54.000 0.067 0.000 0.700 41 D CB -1.005 39.838 40.800 0.071 0.000 1.076 41 D HN 0.531 nan 8.370 nan 0.000 0.430 42 I N 0.442 121.016 120.570 0.008 0.000 2.836 42 I HA -0.020 4.150 4.170 -0.000 0.000 0.285 42 I C 0.674 176.773 176.117 -0.030 0.000 1.174 42 I CA -0.362 60.928 61.300 -0.017 0.000 1.405 42 I CB 0.649 38.630 38.000 -0.031 0.000 1.385 42 I HN 0.022 nan 8.210 nan 0.000 0.594 43 L N 7.726 128.916 121.223 -0.056 0.000 2.360 43 L HA 0.194 4.534 4.340 -0.000 0.000 0.276 43 L C 0.571 177.403 176.870 -0.062 0.000 1.121 43 L CA 0.299 55.099 54.840 -0.067 0.000 0.845 43 L CB 0.630 42.627 42.059 -0.104 0.000 1.143 43 L HN 0.778 nan 8.230 nan 0.000 0.452 44 R N 2.967 123.448 120.500 -0.032 0.000 2.426 44 R HA 0.208 4.548 4.340 -0.000 0.000 0.263 44 R C 0.764 177.056 176.300 -0.014 0.000 0.961 44 R CA -0.006 56.082 56.100 -0.020 0.000 1.086 44 R CB 0.263 30.564 30.300 0.001 0.000 1.186 44 R HN 0.887 nan 8.270 nan 0.000 0.537 45 G N 0.105 108.888 108.800 -0.028 0.000 2.554 45 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.238 45 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.238 45 G C 0.344 175.225 174.900 -0.032 0.000 1.259 45 G CA -0.418 44.671 45.100 -0.019 0.000 0.843 45 G HN 0.333 nan 8.290 nan 0.000 0.582 46 E N 0.550 120.739 120.200 -0.018 0.000 2.147 46 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 46 E C 1.628 178.221 176.600 -0.012 0.000 1.005 46 E CA 1.502 57.894 56.400 -0.013 0.000 0.810 46 E CB 0.064 29.759 29.700 -0.009 0.000 0.736 46 E HN 0.505 nan 8.360 nan 0.000 0.460 47 D N 0.041 120.429 120.400 -0.021 0.000 2.117 47 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 47 D C 2.008 178.374 176.300 0.111 0.000 0.987 47 D CA 0.774 54.810 54.000 0.060 0.000 0.829 47 D CB -0.143 40.713 40.800 0.093 0.000 0.961 47 D HN 0.019 nan 8.370 nan 0.000 0.460 48 V N 0.553 120.408 119.914 -0.098 0.000 2.427 48 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 48 V C 2.351 178.440 176.094 -0.007 0.000 1.051 48 V CA 0.825 63.031 62.300 -0.157 0.000 1.048 48 V CB -0.266 31.412 31.823 -0.240 0.000 0.666 48 V HN 0.144 nan 8.190 nan 0.000 0.456 49 L N 0.072 121.289 121.223 -0.010 0.000 2.083 49 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 49 L C 2.612 179.495 176.870 0.021 0.000 1.083 49 L CA 1.827 56.671 54.840 0.006 0.000 0.752 49 L CB -0.984 41.075 42.059 0.000 0.000 0.899 49 L HN 0.277 nan 8.230 nan 0.000 0.433 50 S N -1.414 114.301 115.700 0.024 0.000 2.356 50 S HA -0.194 4.276 4.470 -0.000 0.000 0.223 50 S C 1.934 176.548 174.600 0.024 0.000 1.032 50 S CA 1.779 59.981 58.200 0.004 0.000 1.005 50 S CB -0.430 62.764 63.200 -0.011 0.000 0.867 50 S HN 0.486 nan 8.310 nan 0.000 0.449 51 T N 2.537 117.152 114.554 0.101 0.000 2.720 51 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 51 T C 1.827 176.651 174.700 0.207 0.000 1.037 51 T CA 1.353 63.551 62.100 0.163 0.000 1.144 51 T CB -0.344 68.715 68.868 0.319 0.000 0.864 51 T HN 0.310 nan 8.240 nan 0.000 0.444 52 M N 0.531 120.217 119.600 0.144 0.000 2.086 52 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 52 M C 2.590 178.954 176.300 0.106 0.000 1.067 52 M CA 1.531 56.909 55.300 0.131 0.000 1.116 52 M CB -0.344 32.292 32.600 0.061 0.000 1.348 52 M HN 0.096 nan 8.290 nan 0.000 0.407 53 Q N 0.365 120.194 119.800 0.048 0.000 2.170 53 Q HA -0.098 4.242 4.340 -0.000 0.000 0.203 53 Q C 1.723 177.713 176.000 -0.017 0.000 0.976 53 Q CA 1.449 57.261 55.803 0.015 0.000 0.858 53 Q CB -0.366 28.368 28.738 -0.006 0.000 0.907 53 Q HN 0.362 nan 8.270 nan 0.000 0.433 54 V N -0.082 119.798 119.914 -0.056 0.000 2.295 54 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 54 V C 1.788 177.738 176.094 -0.241 0.000 1.049 54 V CA 1.917 64.103 62.300 -0.189 0.000 1.024 54 V CB -0.608 31.029 31.823 -0.311 0.000 0.648 54 V HN 0.352 nan 8.190 nan 0.000 0.447 55 F N -0.035 119.887 119.950 -0.047 0.000 2.293 55 F HA -0.075 4.452 4.527 -0.000 0.000 0.300 55 F C 2.561 178.343 175.800 -0.031 0.000 1.086 55 F CA 1.246 59.220 58.000 -0.044 0.000 1.375 55 F CB -0.316 38.652 39.000 -0.054 0.000 1.045 55 F HN -0.021 nan 8.300 nan 0.000 0.516 56 R N 0.141 120.709 120.500 0.112 0.000 2.092 56 R HA -0.132 4.208 4.340 -0.000 0.000 0.231 56 R C 1.545 177.855 176.300 0.015 0.000 1.119 56 R CA 1.470 57.605 56.100 0.060 0.000 0.970 56 R CB -0.449 29.875 30.300 0.040 0.000 0.864 56 R HN 0.205 nan 8.270 nan 0.000 0.440 57 D N 0.664 121.053 120.400 -0.018 0.000 2.264 57 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 57 D C 1.411 177.674 176.300 -0.063 0.000 0.966 57 D CA 0.956 54.929 54.000 -0.045 0.000 0.864 57 D CB 0.083 40.845 40.800 -0.063 0.000 0.933 57 D HN 0.215 nan 8.370 nan 0.000 0.499 58 L N -0.738 120.452 121.223 -0.055 0.000 2.629 58 L HA 0.238 4.578 4.340 -0.000 0.000 0.230 58 L C 1.382 178.256 176.870 0.007 0.000 1.151 58 L CA 0.177 54.991 54.840 -0.044 0.000 0.924 58 L CB 0.066 42.094 42.059 -0.051 0.000 1.137 58 L HN 0.086 nan 8.230 nan 0.000 0.457 59 G N -0.145 108.661 108.800 0.011 0.000 2.157 59 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.239 59 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.239 59 G C 0.157 175.085 174.900 0.047 0.000 0.982 59 G CA -0.100 45.013 45.100 0.021 0.000 0.650 59 G HN 0.093 nan 8.290 nan 0.000 0.527 60 V N 1.209 121.170 119.914 0.080 0.000 2.461 60 V HA 0.351 4.471 4.120 -0.000 0.000 0.275 60 V C 0.701 176.828 176.094 0.055 0.000 1.047 60 V CA -0.465 61.883 62.300 0.080 0.000 0.955 60 V CB 1.547 33.447 31.823 0.127 0.000 0.988 60 V HN 0.375 nan 8.190 nan 0.000 0.471 61 E N 5.137 125.358 120.200 0.035 0.000 2.217 61 E HA 0.364 4.714 4.350 -0.000 0.000 0.279 61 E C -0.767 175.844 176.600 0.018 0.000 1.068 61 E CA 0.088 56.502 56.400 0.023 0.000 0.882 61 E CB 0.688 30.398 29.700 0.017 0.000 1.039 61 E HN 0.522 nan 8.360 nan 0.000 0.418 62 I N 3.505 124.086 120.570 0.018 0.000 2.476 62 I HA 0.149 4.319 4.170 -0.000 0.000 0.281 62 I C -0.225 175.893 176.117 0.001 0.000 1.040 62 I CA -0.428 60.877 61.300 0.008 0.000 1.094 62 I CB 1.499 39.511 38.000 0.020 0.000 1.219 62 I HN 0.468 nan 8.210 nan 0.000 0.450 63 E N 5.843 126.037 120.200 -0.010 0.000 2.175 63 E HA 0.214 4.564 4.350 -0.000 0.000 0.278 63 E C -1.326 175.258 176.600 -0.027 0.000 0.969 63 E CA -0.566 55.825 56.400 -0.014 0.000 0.796 63 E CB 1.765 31.457 29.700 -0.014 0.000 1.104 63 E HN 0.416 nan 8.360 nan 0.000 0.395 64 D N 4.687 125.073 120.400 -0.023 0.000 2.441 64 D HA 0.225 4.865 4.640 -0.000 0.000 0.231 64 D C -1.316 174.969 176.300 -0.025 0.000 1.073 64 D CA -0.327 53.654 54.000 -0.030 0.000 0.850 64 D CB 0.575 41.363 40.800 -0.020 0.000 1.062 64 D HN 0.353 nan 8.370 nan 0.000 0.524 65 K N 3.205 123.584 120.400 -0.035 0.000 2.507 65 K HA 0.240 4.560 4.320 -0.000 0.000 0.251 65 K C -0.864 175.722 176.600 -0.024 0.000 0.943 65 K CA -0.484 55.789 56.287 -0.023 0.000 0.794 65 K CB 0.923 33.412 32.500 -0.020 0.000 1.188 65 K HN 0.185 nan 8.250 nan 0.000 0.428 66 D N 3.365 123.759 120.400 -0.010 0.000 2.708 66 D HA -0.196 4.444 4.640 -0.000 0.000 0.236 66 D C 0.619 176.916 176.300 -0.004 0.000 1.146 66 D CA 1.801 55.800 54.000 -0.001 0.000 0.662 66 D CB -1.154 39.649 40.800 0.006 0.000 1.059 66 D HN 1.120 nan 8.370 nan 0.000 0.428 67 G N -2.126 106.666 108.800 -0.013 0.000 2.162 67 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 67 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 67 G C 0.283 175.148 174.900 -0.059 0.000 0.976 67 G CA 0.373 45.463 45.100 -0.016 0.000 0.655 67 G HN 0.628 nan 8.290 nan 0.000 0.533 68 V N 2.043 121.897 119.914 -0.102 0.000 2.540 68 V HA 0.610 4.730 4.120 -0.000 0.000 0.302 68 V C 0.213 176.196 176.094 -0.186 0.000 1.035 68 V CA -1.195 60.968 62.300 -0.228 0.000 0.873 68 V CB 1.918 33.570 31.823 -0.285 0.000 0.992 68 V HN 0.207 nan 8.190 nan 0.000 0.428 69 I N 3.380 123.822 120.570 -0.215 0.000 2.331 69 I HA 0.436 4.606 4.170 -0.000 0.000 0.292 69 I C 0.291 176.327 176.117 -0.135 0.000 0.998 69 I CA 0.085 61.306 61.300 -0.132 0.000 1.267 69 I CB 1.328 39.272 38.000 -0.093 0.000 1.386 69 I HN 0.568 nan 8.210 nan 0.000 0.476 70 T N 5.952 120.457 114.554 -0.083 0.000 2.815 70 T HA 0.499 4.849 4.350 -0.000 0.000 0.289 70 T C -0.117 174.568 174.700 -0.024 0.000 1.000 70 T CA -0.422 61.645 62.100 -0.056 0.000 0.958 70 T CB 1.809 70.649 68.868 -0.046 0.000 0.944 70 T HN 0.219 nan 8.240 nan 0.000 0.442 71 V N 4.362 124.272 119.914 -0.008 0.000 2.398 71 V HA 0.361 4.481 4.120 -0.000 0.000 0.286 71 V C -0.188 175.915 176.094 0.015 0.000 1.026 71 V CA -0.942 61.358 62.300 -0.000 0.000 0.868 71 V CB 1.727 33.543 31.823 -0.010 0.000 0.982 71 V HN 0.701 nan 8.190 nan 0.000 0.443 72 Q N 3.480 123.288 119.800 0.014 0.000 2.441 72 Q HA 0.321 4.661 4.340 -0.000 0.000 0.234 72 Q C 0.605 176.620 176.000 0.025 0.000 1.078 72 Q CA -0.056 55.760 55.803 0.022 0.000 0.907 72 Q CB 1.241 29.991 28.738 0.020 0.000 1.269 72 Q HN 0.923 nan 8.270 nan 0.000 0.502 73 G N 0.736 109.557 108.800 0.036 0.000 2.474 73 G HA2 0.188 4.148 3.960 -0.000 0.000 0.233 73 G HA3 0.188 4.148 3.960 -0.000 0.000 0.233 73 G C 0.844 175.766 174.900 0.036 0.000 1.278 73 G CA -0.162 44.959 45.100 0.036 0.000 0.861 73 G HN 0.500 nan 8.290 nan 0.000 0.567 74 V N 0.082 120.016 119.914 0.033 0.000 3.528 74 V HA 0.632 4.752 4.120 -0.000 0.000 0.294 74 V C 1.135 177.256 176.094 0.045 0.000 1.404 74 V CA 0.448 62.773 62.300 0.042 0.000 1.065 74 V CB -0.927 30.927 31.823 0.052 0.000 0.904 74 V HN 2.177 nan 8.190 nan 0.000 0.435 75 G N 0.611 109.438 108.800 0.045 0.000 2.746 75 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.685 75 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.685 75 G C -0.138 174.789 174.900 0.044 0.000 1.350 75 G CA 0.067 45.197 45.100 0.050 0.000 0.837 75 G HN 0.460 nan 8.290 nan 0.000 0.564 76 M N 0.643 120.272 119.600 0.048 0.000 2.446 76 M HA 0.351 4.831 4.480 -0.000 0.000 0.263 76 M C 1.874 178.194 176.300 0.034 0.000 1.066 76 M CA 2.664 57.988 55.300 0.041 0.000 1.087 76 M CB -0.251 32.380 32.600 0.051 0.000 1.406 76 M HN 1.828 nan 8.290 nan 0.000 0.459 77 A N -1.332 121.511 122.820 0.038 0.000 2.806 77 A HA 0.668 4.987 4.320 -0.000 0.000 0.266 77 A C 1.013 178.629 177.584 0.054 0.000 0.926 77 A CA -0.082 51.977 52.037 0.037 0.000 1.068 77 A CB -0.777 18.240 19.000 0.028 0.000 1.189 77 A HN 0.423 nan 8.150 nan 0.000 0.481 78 G N -0.300 108.538 108.800 0.063 0.000 3.324 78 G HA2 0.408 4.368 3.960 -0.000 0.000 0.251 78 G HA3 0.408 4.368 3.960 -0.000 0.000 0.251 78 G C 0.346 175.303 174.900 0.096 0.000 1.072 78 G CA -0.079 45.064 45.100 0.072 0.000 0.787 78 G HN 0.405 nan 8.290 nan 0.000 0.537 79 L N 1.331 122.629 121.223 0.125 0.000 2.380 79 L HA 0.390 4.730 4.340 -0.000 0.000 0.273 79 L C -0.011 176.992 176.870 0.221 0.000 1.138 79 L CA -0.337 54.602 54.840 0.166 0.000 0.832 79 L CB 0.989 43.160 42.059 0.186 0.000 1.124 79 L HN -0.127 nan 8.230 nan 0.000 0.454 80 K N 2.013 122.477 120.400 0.106 0.000 2.208 80 K HA 0.583 4.903 4.320 -0.000 0.000 0.247 80 K C -0.423 175.942 176.600 -0.392 0.000 0.953 80 K CA -0.772 55.491 56.287 -0.041 0.000 0.837 80 K CB 1.927 34.393 32.500 -0.056 0.000 1.131 80 K HN 0.614 nan 8.250 nan 0.000 0.431 81 A N 3.721 125.982 122.820 -0.931 0.000 2.565 81 A HA 0.187 4.507 4.320 -0.000 0.000 0.237 81 A C -1.777 175.512 177.584 -0.490 0.000 1.053 81 A CA -0.405 50.915 52.037 -1.196 0.000 0.755 81 A CB -0.781 17.613 19.000 -1.011 0.000 0.980 81 A HN 0.405 nan 8.150 nan 0.000 0.506 82 P HA 0.225 nan 4.420 nan 0.000 0.279 82 P C -0.190 177.029 177.300 -0.135 0.000 1.252 82 P CA -0.383 62.611 63.100 -0.177 0.000 0.811 82 P CB 0.971 32.598 31.700 -0.122 0.000 1.035 83 Q N 0.911 120.658 119.800 -0.087 0.000 2.084 83 Q HA -0.034 4.305 4.340 -0.000 0.000 0.202 83 Q C 0.534 176.509 176.000 -0.042 0.000 0.978 83 Q CA 1.593 57.359 55.803 -0.062 0.000 0.844 83 Q CB -0.505 28.208 28.738 -0.042 0.000 0.898 83 Q HN 0.418 nan 8.270 nan 0.000 0.426 84 N N -0.600 118.087 118.700 -0.022 0.000 2.701 84 N HA 0.605 5.345 4.740 -0.000 0.000 0.290 84 N C -1.061 174.474 175.510 0.041 0.000 1.338 84 N CA -0.292 52.764 53.050 0.009 0.000 0.799 84 N CB 0.878 39.383 38.487 0.029 0.000 1.491 84 N HN 0.244 nan 8.380 nan 0.000 0.540 85 A N 0.416 123.296 122.820 0.100 0.000 2.466 85 A HA 0.281 4.601 4.320 -0.000 0.000 0.238 85 A C 0.201 177.918 177.584 0.222 0.000 1.074 85 A CA -0.023 52.127 52.037 0.189 0.000 0.774 85 A CB -0.323 18.844 19.000 0.278 0.000 1.015 85 A HN 0.517 nan 8.150 nan 0.000 0.498 86 L N 2.248 123.525 121.223 0.090 0.000 2.313 86 L HA 0.170 4.510 4.340 -0.000 0.000 0.282 86 L C 0.540 177.176 176.870 -0.390 0.000 1.092 86 L CA -0.492 54.292 54.840 -0.094 0.000 0.831 86 L CB 0.313 42.291 42.059 -0.134 0.000 1.159 86 L HN 0.699 nan 8.230 nan 0.000 0.442 87 N N 3.555 121.961 118.700 -0.491 0.000 2.439 87 N HA 0.099 4.839 4.740 -0.000 0.000 0.243 87 N C 0.403 175.594 175.510 -0.532 0.000 1.088 87 N CA -0.266 52.234 53.050 -0.917 0.000 0.940 87 N CB 1.190 39.400 38.487 -0.462 0.000 1.180 87 N HN 0.550 nan 8.380 nan 0.000 0.505 88 M N 2.580 121.853 119.600 -0.546 0.000 2.595 88 M HA 0.189 4.669 4.480 -0.000 0.000 0.248 88 M C 1.351 177.531 176.300 -0.200 0.000 1.119 88 M CA 0.303 55.429 55.300 -0.290 0.000 1.079 88 M CB -0.777 31.682 32.600 -0.235 0.000 1.472 88 M HN 0.721 nan 8.290 nan 0.000 0.501 89 G N 0.877 109.541 108.800 -0.226 0.000 2.629 89 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.313 89 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.313 89 G C 0.891 175.758 174.900 -0.054 0.000 1.217 89 G CA 0.527 45.564 45.100 -0.105 0.000 0.994 89 G HN 0.477 nan 8.290 nan 0.000 0.549 90 N N 0.879 119.559 118.700 -0.032 0.000 2.205 90 N HA 0.117 4.857 4.740 -0.000 0.000 0.201 90 N C 0.633 176.133 175.510 -0.017 0.000 1.128 90 N CA 0.952 53.994 53.050 -0.013 0.000 0.867 90 N CB 0.179 38.660 38.487 -0.010 0.000 0.996 90 N HN 0.467 nan 8.380 nan 0.000 0.503 91 S N -0.236 115.447 115.700 -0.028 0.000 2.405 91 S HA 0.318 4.788 4.470 -0.000 0.000 0.291 91 S C 1.257 175.820 174.600 -0.062 0.000 1.137 91 S CA -0.478 57.705 58.200 -0.028 0.000 1.061 91 S CB 0.646 63.845 63.200 -0.001 0.000 1.001 91 S HN 0.388 nan 8.310 nan 0.000 0.507 92 G N 3.526 112.303 108.800 -0.039 0.000 2.403 92 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 92 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 92 G C 1.343 176.195 174.900 -0.080 0.000 1.154 92 G CA 0.970 46.045 45.100 -0.042 0.000 0.784 92 G HN 0.670 nan 8.290 nan 0.000 0.538 93 T N 1.427 115.908 114.554 -0.122 0.000 2.720 93 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 93 T C 2.839 177.371 174.700 -0.281 0.000 1.037 93 T CA 1.622 63.597 62.100 -0.208 0.000 1.144 93 T CB -0.274 68.381 68.868 -0.356 0.000 0.864 93 T HN 0.267 nan 8.240 nan 0.000 0.444 94 S N 1.001 116.495 115.700 -0.343 0.000 2.351 94 S HA -0.033 4.437 4.470 -0.000 0.000 0.220 94 S C 2.010 176.515 174.600 -0.159 0.000 1.035 94 S CA 1.113 59.166 58.200 -0.245 0.000 1.031 94 S CB -0.519 62.581 63.200 -0.167 0.000 0.928 94 S HN 0.440 nan 8.310 nan 0.000 0.433 95 I N 1.299 121.789 120.570 -0.133 0.000 2.286 95 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 95 I C 2.517 178.586 176.117 -0.081 0.000 1.115 95 I CA 1.282 62.517 61.300 -0.108 0.000 1.392 95 I CB -0.023 37.924 38.000 -0.088 0.000 1.065 95 I HN 0.197 nan 8.210 nan 0.000 0.418 96 R N 0.208 120.669 120.500 -0.065 0.000 2.062 96 R HA -0.064 4.276 4.340 -0.000 0.000 0.229 96 R C 2.238 178.527 176.300 -0.017 0.000 1.128 96 R CA 1.200 57.278 56.100 -0.036 0.000 0.960 96 R CB -0.356 29.932 30.300 -0.019 0.000 0.855 96 R HN 0.384 nan 8.270 nan 0.000 0.432 97 L N 0.537 121.750 121.223 -0.016 0.000 2.056 97 L HA -0.106 4.233 4.340 -0.000 0.000 0.207 97 L C 2.427 179.278 176.870 -0.031 0.000 1.078 97 L CA 1.282 56.150 54.840 0.047 0.000 0.749 97 L CB -0.527 41.569 42.059 0.063 0.000 0.901 97 L HN 0.151 nan 8.230 nan 0.000 0.433 98 I N -0.465 120.049 120.570 -0.094 0.000 2.567 98 I HA -0.211 3.959 4.170 -0.000 0.000 0.257 98 I C 2.544 178.593 176.117 -0.112 0.000 1.184 98 I CA 0.626 61.843 61.300 -0.138 0.000 1.451 98 I CB -0.188 37.684 38.000 -0.213 0.000 1.089 98 I HN 0.169 nan 8.210 nan 0.000 0.441 99 S N 0.762 116.416 115.700 -0.077 0.000 2.382 99 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 99 S C 2.118 176.688 174.600 -0.048 0.000 1.027 99 S CA 1.449 59.611 58.200 -0.064 0.000 0.991 99 S CB -0.429 62.740 63.200 -0.051 0.000 0.823 99 S HN 0.648 nan 8.310 nan 0.000 0.469 100 G N 0.738 109.531 108.800 -0.011 0.000 2.430 100 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.216 100 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.216 100 G C 1.407 176.320 174.900 0.021 0.000 1.146 100 G CA 0.567 45.683 45.100 0.027 0.000 0.793 100 G HN 0.407 nan 8.290 nan 0.000 0.537 101 V N 0.726 120.616 119.914 -0.040 0.000 2.407 101 V HA -0.069 4.051 4.120 -0.000 0.000 0.248 101 V C 2.405 178.458 176.094 -0.068 0.000 1.055 101 V CA 0.996 63.234 62.300 -0.103 0.000 1.049 101 V CB -0.236 31.482 31.823 -0.175 0.000 0.662 101 V HN 0.223 nan 8.190 nan 0.000 0.455 102 L N 0.278 121.450 121.223 -0.086 0.000 2.612 102 L HA 0.278 4.618 4.340 -0.000 0.000 0.230 102 L C 2.252 179.039 176.870 -0.138 0.000 1.140 102 L CA 1.020 55.791 54.840 -0.116 0.000 0.896 102 L CB -1.307 40.681 42.059 -0.118 0.000 1.065 102 L HN 0.250 nan 8.230 nan 0.000 0.447 103 A N -0.298 122.466 122.820 -0.092 0.000 1.986 103 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 103 A C 2.124 179.642 177.584 -0.110 0.000 1.171 103 A CA 1.709 53.693 52.037 -0.088 0.000 0.640 103 A CB -0.720 18.249 19.000 -0.051 0.000 0.811 103 A HN 0.430 nan 8.150 nan 0.000 0.451 104 G N -1.340 107.395 108.800 -0.109 0.000 3.189 104 G HA2 0.428 4.388 3.960 -0.000 0.000 0.225 104 G HA3 0.428 4.388 3.960 -0.000 0.000 0.225 104 G C 0.502 175.288 174.900 -0.190 0.000 1.159 104 G CA 0.511 45.543 45.100 -0.113 0.000 0.763 104 G HN 0.759 nan 8.290 nan 0.000 0.549 105 A N 0.640 123.262 122.820 -0.329 0.000 2.454 105 A HA 0.381 4.701 4.320 -0.000 0.000 0.260 105 A C 0.100 177.277 177.584 -0.679 0.000 1.106 105 A CA -0.207 51.425 52.037 -0.676 0.000 0.780 105 A CB 0.388 18.662 19.000 -1.211 0.000 1.044 105 A HN 0.074 nan 8.150 nan 0.000 0.498 106 D N 2.551 122.671 120.400 -0.467 0.000 3.134 106 D HA 0.431 5.071 4.640 -0.000 0.000 0.248 106 D C -0.777 175.493 176.300 -0.050 0.000 1.273 106 D CA 0.354 54.239 54.000 -0.193 0.000 0.904 106 D CB -0.847 39.936 40.800 -0.029 0.000 1.089 106 D HN 0.375 nan 8.370 nan 0.000 0.478 107 F N -1.807 118.135 119.950 -0.014 0.000 2.807 107 F HA 0.477 5.004 4.527 -0.000 0.000 0.316 107 F C -1.031 174.758 175.800 -0.018 0.000 1.162 107 F CA -1.411 56.580 58.000 -0.014 0.000 0.910 107 F CB 0.883 39.874 39.000 -0.015 0.000 1.314 107 F HN -0.211 nan 8.300 nan 0.000 0.454 108 E N 1.542 121.924 120.200 0.304 0.000 2.171 108 E HA 0.686 5.036 4.350 -0.000 0.000 0.271 108 E C -1.528 175.211 176.600 0.233 0.000 0.916 108 E CA -1.020 55.488 56.400 0.179 0.000 0.774 108 E CB 2.211 31.962 29.700 0.085 0.000 1.128 108 E HN 0.824 nan 8.360 nan 0.000 0.403 109 V N 0.586 120.613 119.914 0.188 0.000 3.040 109 V HA 0.601 4.721 4.120 -0.000 0.000 0.312 109 V C -0.586 175.556 176.094 0.080 0.000 1.115 109 V CA -1.008 61.377 62.300 0.141 0.000 0.998 109 V CB 1.780 33.714 31.823 0.184 0.000 1.042 109 V HN 0.783 nan 8.190 nan 0.000 0.433 110 E N 2.076 122.321 120.200 0.074 0.000 2.214 110 E HA 0.733 5.083 4.350 -0.000 0.000 0.274 110 E C -1.152 175.512 176.600 0.108 0.000 0.977 110 E CA -0.910 55.541 56.400 0.084 0.000 0.827 110 E CB 1.808 31.561 29.700 0.088 0.000 1.130 110 E HN 0.804 nan 8.360 nan 0.000 0.394 111 M N 4.852 124.512 119.600 0.101 0.000 2.204 111 M HA 0.364 4.844 4.480 -0.000 0.000 0.293 111 M C -1.243 175.125 176.300 0.113 0.000 0.994 111 M CA -0.825 54.501 55.300 0.044 0.000 0.925 111 M CB 1.107 33.684 32.600 -0.038 0.000 1.577 111 M HN 0.415 nan 8.290 nan 0.000 0.439 112 F N 0.412 120.346 119.950 -0.027 0.000 2.639 112 F HA 1.086 5.613 4.527 -0.000 0.000 0.339 112 F C -0.121 175.669 175.800 -0.018 0.000 1.071 112 F CA -0.974 57.014 58.000 -0.020 0.000 0.994 112 F CB 1.236 40.227 39.000 -0.016 0.000 1.341 112 F HN 0.531 nan 8.300 nan 0.000 0.498 113 G N -0.342 108.523 108.800 0.107 0.000 2.727 113 G HA2 0.480 4.440 3.960 -0.000 0.000 0.289 113 G HA3 0.480 4.440 3.960 -0.000 0.000 0.289 113 G C -1.883 173.091 174.900 0.123 0.000 1.418 113 G CA -0.649 44.451 45.100 0.000 0.000 0.818 113 G HN 0.897 nan 8.290 nan 0.000 0.486 114 D N -1.113 119.328 120.400 0.068 0.000 2.356 114 D HA 0.144 4.784 4.640 -0.000 0.000 0.258 114 D C 1.214 177.557 176.300 0.072 0.000 1.279 114 D CA 0.220 54.271 54.000 0.084 0.000 1.016 114 D CB 0.284 41.120 40.800 0.059 0.000 1.107 114 D HN 0.358 nan 8.370 nan 0.000 0.544 115 D N -0.991 119.448 120.400 0.066 0.000 2.149 115 D HA -0.228 4.412 4.640 -0.000 0.000 0.198 115 D C 1.781 178.110 176.300 0.048 0.000 0.990 115 D CA 1.918 55.951 54.000 0.056 0.000 0.839 115 D CB -0.769 40.066 40.800 0.057 0.000 0.948 115 D HN 0.294 nan 8.370 nan 0.000 0.460 116 S N -0.368 115.365 115.700 0.054 0.000 2.345 116 S HA -0.046 4.423 4.470 -0.000 0.000 0.220 116 S C 2.075 176.697 174.600 0.037 0.000 1.031 116 S CA 0.482 58.712 58.200 0.050 0.000 0.996 116 S CB -0.585 62.655 63.200 0.067 0.000 0.882 116 S HN 0.325 nan 8.310 nan 0.000 0.445 117 L N 1.317 122.560 121.223 0.033 0.000 2.079 117 L HA -0.078 4.261 4.340 -0.000 0.000 0.210 117 L C 2.315 179.198 176.870 0.022 0.000 1.081 117 L CA 1.592 56.444 54.840 0.021 0.000 0.752 117 L CB -0.576 41.486 42.059 0.005 0.000 0.896 117 L HN 0.368 nan 8.230 nan 0.000 0.433 118 S N -0.469 115.251 115.700 0.033 0.000 2.537 118 S HA -0.135 4.335 4.470 -0.000 0.000 0.240 118 S C 1.426 176.039 174.600 0.022 0.000 0.981 118 S CA 0.916 59.137 58.200 0.035 0.000 0.948 118 S CB -0.119 63.110 63.200 0.048 0.000 0.759 118 S HN 0.441 nan 8.310 nan 0.000 0.531 119 K N 0.547 120.956 120.400 0.016 0.000 2.358 119 K HA 0.181 4.501 4.320 -0.000 0.000 0.197 119 K C 0.072 176.675 176.600 0.005 0.000 1.025 119 K CA 0.033 56.323 56.287 0.006 0.000 1.104 119 K CB 0.472 32.970 32.500 -0.002 0.000 0.855 119 K HN 0.180 nan 8.250 nan 0.000 0.531 120 R N 2.322 122.827 120.500 0.009 0.000 2.346 120 R HA 0.220 4.560 4.340 -0.000 0.000 0.311 120 R C -2.572 173.731 176.300 0.006 0.000 0.983 120 R CA -2.113 53.992 56.100 0.008 0.000 0.880 120 R CB 0.781 31.088 30.300 0.012 0.000 1.100 120 R HN -0.059 nan 8.270 nan 0.000 0.453 121 P HA -0.015 nan 4.420 nan 0.000 0.267 121 P C -0.192 177.110 177.300 0.004 0.000 1.205 121 P CA 0.172 63.275 63.100 0.005 0.000 0.765 121 P CB 0.862 32.566 31.700 0.007 0.000 0.828 122 M N 1.652 121.252 119.600 0.000 0.000 2.306 122 M HA 0.023 4.503 4.480 -0.000 0.000 0.292 122 M C 1.079 177.375 176.300 -0.007 0.000 1.018 122 M CA 0.316 55.613 55.300 -0.005 0.000 1.007 122 M CB -0.770 31.824 32.600 -0.010 0.000 1.510 122 M HN 0.301 nan 8.290 nan 0.000 0.537 123 D N 1.657 122.057 120.400 -0.001 0.000 2.182 123 D HA -0.240 4.400 4.640 -0.000 0.000 0.201 123 D C 1.706 178.007 176.300 0.002 0.000 0.986 123 D CA 1.322 55.322 54.000 -0.001 0.000 0.847 123 D CB -0.697 40.107 40.800 0.007 0.000 0.942 123 D HN 0.533 nan 8.370 nan 0.000 0.467 124 R N 0.300 120.808 120.500 0.013 0.000 2.193 124 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 124 R C 1.987 178.286 176.300 -0.003 0.000 1.110 124 R CA 1.085 57.203 56.100 0.030 0.000 0.988 124 R CB -0.528 29.794 30.300 0.038 0.000 0.871 124 R HN 0.268 nan 8.270 nan 0.000 0.458 125 V N 1.312 121.209 119.914 -0.028 0.000 3.212 125 V HA -0.091 4.029 4.120 -0.000 0.000 0.244 125 V C 2.253 178.295 176.094 -0.087 0.000 1.151 125 V CA 1.489 63.753 62.300 -0.060 0.000 1.119 125 V CB 0.607 32.408 31.823 -0.037 0.000 0.838 125 V HN 0.630 nan 8.190 nan 0.000 0.470 126 T N -1.286 113.231 114.554 -0.062 0.000 2.821 126 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 126 T C 1.970 176.622 174.700 -0.081 0.000 1.046 126 T CA 1.876 63.939 62.100 -0.062 0.000 1.139 126 T CB -0.523 68.322 68.868 -0.038 0.000 0.871 126 T HN 0.412 nan 8.240 nan 0.000 0.454 127 L N 2.252 123.427 121.223 -0.080 0.000 1.970 127 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 127 L C -0.235 176.528 176.870 -0.177 0.000 1.071 127 L CA 1.793 56.584 54.840 -0.082 0.000 0.751 127 L CB -0.962 41.084 42.059 -0.022 0.000 0.889 127 L HN 0.227 nan 8.230 nan 0.000 0.432 128 P HA -0.162 nan 4.420 nan 0.000 0.217 128 P C 1.911 179.042 177.300 -0.281 0.000 1.151 128 P CA 1.059 63.824 63.100 -0.559 0.000 0.828 128 P CB -0.048 31.002 31.700 -1.084 0.000 0.788 129 L N 0.480 121.582 121.223 -0.202 0.000 2.083 129 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 129 L C 2.454 179.268 176.870 -0.092 0.000 1.083 129 L CA 1.807 56.572 54.840 -0.125 0.000 0.752 129 L CB -1.438 40.563 42.059 -0.097 0.000 0.899 129 L HN -0.057 nan 8.230 nan 0.000 0.433 130 K N -0.696 119.652 120.400 -0.086 0.000 2.211 130 K HA -0.153 4.167 4.320 -0.000 0.000 0.203 130 K C 1.932 178.504 176.600 -0.047 0.000 1.050 130 K CA 0.877 57.129 56.287 -0.057 0.000 0.945 130 K CB -0.037 32.435 32.500 -0.046 0.000 0.732 130 K HN 0.314 nan 8.250 nan 0.000 0.451 131 K N 0.303 120.669 120.400 -0.057 0.000 2.283 131 K HA -0.035 4.285 4.320 -0.000 0.000 0.202 131 K C 1.776 178.365 176.600 -0.018 0.000 1.048 131 K CA 1.052 57.322 56.287 -0.027 0.000 0.948 131 K CB 0.018 32.506 32.500 -0.020 0.000 0.742 131 K HN 0.165 nan 8.250 nan 0.000 0.458 132 M N -0.903 118.675 119.600 -0.036 0.000 2.556 132 M HA 0.071 4.551 4.480 -0.000 0.000 0.245 132 M C 0.928 177.213 176.300 -0.025 0.000 1.128 132 M CA 0.764 56.048 55.300 -0.026 0.000 1.069 132 M CB 0.775 33.351 32.600 -0.039 0.000 1.469 132 M HN 0.408 nan 8.290 nan 0.000 0.494 133 G N 0.275 109.058 108.800 -0.030 0.000 2.192 133 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.193 133 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.193 133 G C -0.027 174.849 174.900 -0.040 0.000 0.999 133 G CA -0.507 44.576 45.100 -0.029 0.000 0.659 133 G HN 0.242 nan 8.290 nan 0.000 0.503 134 V N 1.646 121.531 119.914 -0.048 0.000 2.583 134 V HA 0.567 4.687 4.120 -0.000 0.000 0.287 134 V C 0.678 176.743 176.094 -0.049 0.000 1.051 134 V CA 0.116 62.382 62.300 -0.057 0.000 1.010 134 V CB 1.687 33.470 31.823 -0.066 0.000 0.988 134 V HN 0.327 nan 8.190 nan 0.000 0.478 135 S N 6.087 121.759 115.700 -0.047 0.000 2.420 135 S HA 0.691 5.161 4.470 -0.000 0.000 0.313 135 S C -0.399 174.180 174.600 -0.034 0.000 1.079 135 S CA -0.301 57.878 58.200 -0.035 0.000 1.104 135 S CB 0.151 63.334 63.200 -0.028 0.000 0.969 135 S HN 0.516 nan 8.310 nan 0.000 0.471 136 I N 2.170 122.722 120.570 -0.031 0.000 2.607 136 I HA 0.482 4.652 4.170 -0.000 0.000 0.290 136 I C -0.476 175.629 176.117 -0.020 0.000 1.129 136 I CA -0.385 60.899 61.300 -0.027 0.000 1.042 136 I CB 2.372 40.350 38.000 -0.036 0.000 1.242 136 I HN 0.439 nan 8.210 nan 0.000 0.421 137 S N 2.219 117.912 115.700 -0.012 0.000 2.556 137 S HA 0.875 5.345 4.470 -0.000 0.000 0.271 137 S C -0.248 174.351 174.600 -0.002 0.000 1.135 137 S CA -0.698 57.498 58.200 -0.007 0.000 0.858 137 S CB 2.439 65.636 63.200 -0.005 0.000 1.114 137 S HN 0.911 nan 8.310 nan 0.000 0.468 138 G N 0.477 109.276 108.800 -0.000 0.000 3.135 138 G HA2 0.587 4.547 3.960 -0.000 0.000 0.278 138 G HA3 0.587 4.547 3.960 -0.000 0.000 0.278 138 G C -1.748 173.154 174.900 0.005 0.000 1.302 138 G CA -0.642 44.461 45.100 0.005 0.000 0.880 138 G HN 0.467 nan 8.290 nan 0.000 0.574 139 Q N 1.395 121.199 119.800 0.007 0.000 2.286 139 Q HA 0.470 4.810 4.340 -0.000 0.000 0.257 139 Q C 0.742 176.744 176.000 0.003 0.000 0.941 139 Q CA 0.520 56.326 55.803 0.005 0.000 0.912 139 Q CB 0.592 29.334 28.738 0.007 0.000 1.192 139 Q HN 1.444 nan 8.270 nan 0.000 0.410 140 T N -0.420 114.134 114.554 0.001 0.000 0.541 140 T HA -0.223 4.127 4.350 -0.000 0.000 0.774 140 T C 0.733 175.433 174.700 0.001 0.000 0.992 140 T CA 0.895 62.995 62.100 0.001 0.000 4.077 140 T CB -0.523 68.345 68.868 0.000 0.000 2.303 140 T HN 0.719 nan 8.240 nan 0.000 0.398 141 E N 0.453 120.654 120.200 0.001 0.000 2.338 141 E HA 0.017 4.367 4.350 -0.000 0.000 0.197 141 E C 2.039 178.640 176.600 0.002 0.000 1.007 141 E CA 1.247 57.648 56.400 0.002 0.000 0.849 141 E CB -0.237 29.464 29.700 0.002 0.000 0.774 141 E HN 0.659 nan 8.360 nan 0.000 0.506 142 R N 0.799 121.300 120.500 0.002 0.000 2.313 142 R HA -0.000 4.340 4.340 -0.000 0.000 0.199 142 R C -0.292 176.009 176.300 0.002 0.000 0.958 142 R CA 0.487 56.589 56.100 0.003 0.000 1.047 142 R CB -0.266 30.035 30.300 0.003 0.000 0.955 142 R HN 0.104 nan 8.270 nan 0.000 0.481 143 D N 1.427 121.828 120.400 0.001 0.000 2.737 143 D HA -0.164 4.476 4.640 -0.000 0.000 0.238 143 D C -0.459 175.843 176.300 0.003 0.000 1.157 143 D CA 0.890 54.890 54.000 0.000 0.000 0.694 143 D CB -1.159 39.638 40.800 -0.004 0.000 1.021 143 D HN 0.240 nan 8.370 nan 0.000 0.420 144 L N -0.310 120.916 121.223 0.005 0.000 2.452 144 L HA 0.306 4.646 4.340 -0.000 0.000 0.267 144 L C -1.619 175.259 176.870 0.015 0.000 1.188 144 L CA -1.562 53.283 54.840 0.009 0.000 0.821 144 L CB 0.072 42.136 42.059 0.009 0.000 1.102 144 L HN -0.162 nan 8.230 nan 0.000 0.470 145 P HA 0.092 nan 4.420 nan 0.000 0.272 145 P C -2.470 174.858 177.300 0.047 0.000 1.240 145 P CA -0.929 62.193 63.100 0.036 0.000 0.791 145 P CB -0.100 31.624 31.700 0.039 0.000 0.978 146 P HA 0.153 nan 4.420 nan 0.000 0.275 146 P C -0.886 176.446 177.300 0.052 0.000 1.228 146 P CA 0.400 63.553 63.100 0.088 0.000 0.786 146 P CB 0.674 32.441 31.700 0.111 0.000 0.927 147 L N 2.692 123.944 121.223 0.048 0.000 2.322 147 L HA 0.586 4.926 4.340 -0.000 0.000 0.269 147 L C 0.870 177.758 176.870 0.030 0.000 1.012 147 L CA -0.952 53.903 54.840 0.025 0.000 0.815 147 L CB 1.603 43.666 42.059 0.006 0.000 1.295 147 L HN 0.297 nan 8.230 nan 0.000 0.438 148 R N 1.838 122.348 120.500 0.017 0.000 2.476 148 R HA 0.637 4.977 4.340 -0.000 0.000 0.305 148 R C -1.440 174.863 176.300 0.006 0.000 0.965 148 R CA -0.495 55.617 56.100 0.020 0.000 0.867 148 R CB 2.312 32.623 30.300 0.019 0.000 1.176 148 R HN 0.455 nan 8.270 nan 0.000 0.447 149 L N 2.508 123.735 121.223 0.006 0.000 2.365 149 L HA 0.574 4.914 4.340 -0.000 0.000 0.273 149 L C -1.234 175.619 176.870 -0.027 0.000 1.000 149 L CA -0.639 54.189 54.840 -0.020 0.000 0.819 149 L CB 1.560 43.598 42.059 -0.036 0.000 1.284 149 L HN 0.535 nan 8.230 nan 0.000 0.418 150 K N 3.783 124.151 120.400 -0.054 0.000 2.579 150 K HA 0.535 4.855 4.320 -0.000 0.000 0.250 150 K C -0.226 176.302 176.600 -0.120 0.000 0.952 150 K CA -0.495 55.745 56.287 -0.079 0.000 0.857 150 K CB 1.538 34.015 32.500 -0.038 0.000 1.123 150 K HN 0.784 nan 8.250 nan 0.000 0.433 151 G N 1.302 109.979 108.800 -0.206 0.000 2.553 151 G HA2 0.407 4.367 3.960 -0.000 0.000 0.278 151 G HA3 0.407 4.367 3.960 -0.000 0.000 0.278 151 G C -0.556 174.256 174.900 -0.146 0.000 1.349 151 G CA -0.301 44.687 45.100 -0.187 0.000 1.037 151 G HN 0.627 nan 8.290 nan 0.000 0.508 152 T N -3.270 111.213 114.554 -0.118 0.000 2.894 152 T HA 0.445 4.795 4.350 -0.000 0.000 0.309 152 T C 0.218 174.877 174.700 -0.069 0.000 1.208 152 T CA -0.909 61.143 62.100 -0.081 0.000 1.016 152 T CB 2.257 71.093 68.868 -0.054 0.000 1.192 152 T HN 0.374 nan 8.240 nan 0.000 0.491 153 K N 0.544 120.915 120.400 -0.049 0.000 2.487 153 K HA 0.142 4.462 4.320 -0.000 0.000 0.192 153 K C 0.198 176.785 176.600 -0.021 0.000 1.027 153 K CA 0.095 56.362 56.287 -0.033 0.000 1.054 153 K CB 0.073 32.561 32.500 -0.020 0.000 0.824 153 K HN 0.398 nan 8.250 nan 0.000 0.510 154 N N 1.583 120.269 118.700 -0.023 0.000 2.914 154 N HA 0.148 4.888 4.740 -0.000 0.000 0.304 154 N C -0.831 174.670 175.510 -0.015 0.000 1.727 154 N CA -0.111 52.931 53.050 -0.014 0.000 0.986 154 N CB 0.729 39.210 38.487 -0.010 0.000 1.297 154 N HN 0.075 nan 8.380 nan 0.000 0.490 155 L N 1.194 122.407 121.223 -0.017 0.000 2.410 155 L HA 0.212 4.552 4.340 -0.000 0.000 0.273 155 L C 0.776 177.643 176.870 -0.004 0.000 1.152 155 L CA 0.019 54.849 54.840 -0.017 0.000 0.855 155 L CB 0.724 42.771 42.059 -0.020 0.000 1.129 155 L HN 0.056 nan 8.230 nan 0.000 0.463 156 R N 5.128 125.628 120.500 -0.001 0.000 2.368 156 R HA 0.350 4.690 4.340 -0.000 0.000 0.302 156 R C -2.203 174.108 176.300 0.019 0.000 1.002 156 R CA -1.697 54.412 56.100 0.016 0.000 0.929 156 R CB 0.901 31.214 30.300 0.021 0.000 1.073 156 R HN 0.400 nan 8.270 nan 0.000 0.464 157 P HA -0.062 nan 4.420 nan 0.000 0.269 157 P C -0.678 176.632 177.300 0.016 0.000 1.217 157 P CA -0.041 63.065 63.100 0.010 0.000 0.783 157 P CB 0.660 32.376 31.700 0.027 0.000 0.898 158 I N 1.786 122.317 120.570 -0.066 0.000 2.441 158 I HA 0.318 4.488 4.170 -0.000 0.000 0.295 158 I C -0.696 175.319 176.117 -0.170 0.000 0.994 158 I CA -0.904 60.370 61.300 -0.043 0.000 1.144 158 I CB 0.905 38.874 38.000 -0.050 0.000 1.314 158 I HN 0.258 nan 8.210 nan 0.000 0.445 159 H N 7.025 126.137 119.070 0.070 0.000 2.762 159 H HA 0.480 5.036 4.556 -0.000 0.000 0.310 159 H C -1.722 173.707 175.328 0.168 0.000 1.004 159 H CA -0.244 55.855 56.048 0.084 0.000 1.267 159 H CB 0.972 30.765 29.762 0.051 0.000 1.437 159 H HN 0.561 nan 8.280 nan 0.000 0.498 160 Y N 1.264 121.584 120.300 0.035 0.000 2.441 160 Y HA 0.274 4.824 4.550 -0.000 0.000 0.334 160 Y C -1.020 174.879 175.900 -0.002 0.000 1.061 160 Y CA -0.714 57.396 58.100 0.018 0.000 1.032 160 Y CB 1.641 40.100 38.460 -0.001 0.000 1.266 160 Y HN 0.520 nan 8.280 nan 0.000 0.441 161 E N 5.808 125.728 120.200 -0.466 0.000 2.081 161 E HA 0.254 4.604 4.350 -0.000 0.000 0.276 161 E C -1.239 174.966 176.600 -0.659 0.000 0.950 161 E CA -0.871 55.294 56.400 -0.392 0.000 0.776 161 E CB 1.114 30.656 29.700 -0.263 0.000 1.094 161 E HN 0.505 nan 8.360 nan 0.000 0.402 162 L N 6.244 127.249 121.223 -0.363 0.000 2.499 162 L HA 0.006 4.346 4.340 -0.000 0.000 0.273 162 L C -1.122 175.636 176.870 -0.187 0.000 1.195 162 L CA -0.363 54.346 54.840 -0.218 0.000 0.882 162 L CB 0.112 42.160 42.059 -0.018 0.000 1.133 162 L HN 0.497 nan 8.230 nan 0.000 0.483 163 P HA 0.042 nan 4.420 nan 0.000 0.240 163 P C -0.191 177.085 177.300 -0.039 0.000 1.190 163 P CA 0.720 63.770 63.100 -0.084 0.000 0.781 163 P CB 0.469 32.140 31.700 -0.048 0.000 0.931 164 I N -4.194 116.366 120.570 -0.016 0.000 3.042 164 I HA 0.644 4.814 4.170 -0.000 0.000 0.310 164 I C -0.573 175.539 176.117 -0.008 0.000 1.117 164 I CA -1.916 59.380 61.300 -0.006 0.000 1.003 164 I CB 1.369 39.377 38.000 0.013 0.000 1.228 164 I HN -0.307 nan 8.210 nan 0.000 0.443 165 A N 2.760 125.575 122.820 -0.008 0.000 3.077 165 A HA 0.395 4.715 4.320 -0.000 0.000 0.255 165 A C 0.421 178.010 177.584 0.009 0.000 1.728 165 A CA -0.024 52.008 52.037 -0.008 0.000 1.383 165 A CB -1.076 17.920 19.000 -0.007 0.000 1.097 165 A HN 0.674 nan 8.150 nan 0.000 0.634 166 S N 0.427 116.137 115.700 0.017 0.000 2.442 166 S HA 0.539 5.009 4.470 -0.000 0.000 0.297 166 S C 1.127 175.745 174.600 0.029 0.000 1.131 166 S CA 0.006 58.223 58.200 0.028 0.000 1.092 166 S CB 1.150 64.371 63.200 0.036 0.000 0.998 166 S HN 0.859 nan 8.310 nan 0.000 0.478 167 A N 4.390 127.231 122.820 0.035 0.000 2.016 167 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 167 A C 1.978 179.588 177.584 0.044 0.000 1.162 167 A CA 0.771 52.830 52.037 0.038 0.000 0.662 167 A CB -0.402 18.630 19.000 0.052 0.000 0.812 167 A HN 0.889 nan 8.150 nan 0.000 0.450 168 Q N -0.433 119.396 119.800 0.048 0.000 2.046 168 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 168 Q C 2.122 178.144 176.000 0.038 0.000 0.975 168 Q CA 1.678 57.509 55.803 0.047 0.000 0.836 168 Q CB -0.298 28.461 28.738 0.035 0.000 0.896 168 Q HN 0.468 nan 8.270 nan 0.000 0.428 169 V N 1.548 121.483 119.914 0.034 0.000 2.343 169 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 169 V C 2.322 178.431 176.094 0.025 0.000 1.051 169 V CA 2.000 64.318 62.300 0.031 0.000 1.036 169 V CB -0.576 31.283 31.823 0.060 0.000 0.654 169 V HN 0.358 nan 8.190 nan 0.000 0.451 170 K N 0.139 120.556 120.400 0.028 0.000 2.032 170 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 170 K C 2.297 178.872 176.600 -0.042 0.000 1.048 170 K CA 2.082 58.372 56.287 0.005 0.000 0.927 170 K CB -0.238 32.262 32.500 0.001 0.000 0.712 170 K HN 0.463 nan 8.250 nan 0.000 0.441 171 S N 0.627 116.303 115.700 -0.040 0.000 2.368 171 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 171 S C 2.082 176.634 174.600 -0.079 0.000 1.029 171 S CA 1.102 59.229 58.200 -0.122 0.000 0.988 171 S CB -0.312 62.892 63.200 0.008 0.000 0.838 171 S HN 0.544 nan 8.310 nan 0.000 0.462 172 A N 1.390 124.249 122.820 0.065 0.000 1.908 172 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 172 A C 2.026 179.640 177.584 0.050 0.000 1.181 172 A CA 1.295 53.406 52.037 0.123 0.000 0.627 172 A CB -0.664 18.366 19.000 0.051 0.000 0.818 172 A HN 0.369 nan 8.150 nan 0.000 0.445 173 L N -0.921 120.290 121.223 -0.020 0.000 2.093 173 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 173 L C 2.689 179.522 176.870 -0.062 0.000 1.085 173 L CA 1.677 56.490 54.840 -0.045 0.000 0.755 173 L CB -0.733 41.298 42.059 -0.046 0.000 0.904 173 L HN 0.398 nan 8.230 nan 0.000 0.435 174 M N -2.233 117.289 119.600 -0.131 0.000 2.117 174 M HA -0.223 4.257 4.480 -0.000 0.000 0.262 174 M C 2.265 178.453 176.300 -0.188 0.000 1.065 174 M CA 1.819 57.000 55.300 -0.198 0.000 1.114 174 M CB -0.424 31.985 32.600 -0.319 0.000 1.361 174 M HN 0.115 nan 8.290 nan 0.000 0.408 175 F N -0.005 119.906 119.950 -0.066 0.000 2.234 175 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 175 F C 2.589 178.345 175.800 -0.074 0.000 1.087 175 F CA 0.827 58.765 58.000 -0.103 0.000 1.340 175 F CB -0.386 38.528 39.000 -0.143 0.000 1.031 175 F HN 0.143 nan 8.300 nan 0.000 0.500 176 A N 0.033 122.916 122.820 0.105 0.000 1.897 176 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 176 A C 2.333 179.925 177.584 0.014 0.000 1.181 176 A CA 1.320 53.379 52.037 0.037 0.000 0.620 176 A CB -1.114 17.886 19.000 -0.000 0.000 0.821 176 A HN 0.283 nan 8.150 nan 0.000 0.443 177 A N -0.590 122.228 122.820 -0.003 0.000 1.972 177 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 177 A C 1.882 179.472 177.584 0.009 0.000 1.169 177 A CA 1.587 53.615 52.037 -0.014 0.000 0.635 177 A CB -0.474 18.503 19.000 -0.038 0.000 0.810 177 A HN 0.382 nan 8.150 nan 0.000 0.446 178 L N -0.492 120.750 121.223 0.031 0.000 2.265 178 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 178 L C 2.357 179.257 176.870 0.050 0.000 1.117 178 L CA 1.782 56.656 54.840 0.056 0.000 0.782 178 L CB -0.685 41.430 42.059 0.094 0.000 0.914 178 L HN 0.517 nan 8.230 nan 0.000 0.441 179 Q N -1.499 118.322 119.800 0.036 0.000 2.378 179 Q HA 0.313 4.653 4.340 -0.000 0.000 0.216 179 Q C 0.747 176.754 176.000 0.012 0.000 0.892 179 Q CA 0.224 56.041 55.803 0.023 0.000 0.931 179 Q CB 0.377 29.122 28.738 0.012 0.000 1.086 179 Q HN 0.406 nan 8.270 nan 0.000 0.528 180 A N 1.556 124.382 122.820 0.009 0.000 2.286 180 A HA 0.349 4.669 4.320 -0.000 0.000 0.286 180 A C -0.375 177.216 177.584 0.012 0.000 1.097 180 A CA -0.615 51.425 52.037 0.005 0.000 0.821 180 A CB 0.491 19.491 19.000 -0.001 0.000 1.076 180 A HN -0.075 nan 8.150 nan 0.000 0.490 181 K N 1.363 121.770 120.400 0.013 0.000 2.267 181 K HA 0.586 4.906 4.320 -0.000 0.000 0.282 181 K C 0.314 176.927 176.600 0.022 0.000 1.078 181 K CA 0.520 56.818 56.287 0.017 0.000 0.903 181 K CB 0.037 32.546 32.500 0.015 0.000 1.111 181 K HN 1.575 nan 8.250 nan 0.000 0.475 182 G N 1.632 110.446 108.800 0.023 0.000 2.331 182 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.402 182 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.402 182 G C -1.625 173.289 174.900 0.023 0.000 1.275 182 G CA -0.963 44.156 45.100 0.031 0.000 1.003 182 G HN 0.498 nan 8.290 nan 0.000 0.500 183 E N 0.082 120.304 120.200 0.036 0.000 2.146 183 E HA 0.592 4.942 4.350 -0.000 0.000 0.282 183 E C -0.222 176.327 176.600 -0.084 0.000 0.989 183 E CA -0.381 56.024 56.400 0.009 0.000 0.799 183 E CB 0.771 30.498 29.700 0.045 0.000 1.088 183 E HN 0.426 nan 8.360 nan 0.000 0.397 184 S N 2.463 118.077 115.700 -0.143 0.000 2.565 184 S HA 0.461 4.931 4.470 -0.000 0.000 0.290 184 S C -0.804 173.625 174.600 -0.285 0.000 1.150 184 S CA -0.717 57.308 58.200 -0.291 0.000 1.058 184 S CB 1.680 64.785 63.200 -0.157 0.000 1.032 184 S HN 0.376 nan 8.310 nan 0.000 0.510 185 V N 3.909 123.577 119.914 -0.410 0.000 2.482 185 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 185 V C -0.831 175.209 176.094 -0.089 0.000 1.026 185 V CA -0.439 61.754 62.300 -0.178 0.000 0.856 185 V CB 1.149 32.930 31.823 -0.070 0.000 1.001 185 V HN 0.765 nan 8.190 nan 0.000 0.424 186 I N 6.035 126.580 120.570 -0.041 0.000 2.382 186 I HA 0.516 4.686 4.170 -0.000 0.000 0.286 186 I C -0.592 175.518 176.117 -0.013 0.000 1.002 186 I CA -0.288 61.012 61.300 0.000 0.000 1.135 186 I CB 1.762 39.761 38.000 -0.002 0.000 1.288 186 I HN 0.426 nan 8.210 nan 0.000 0.448 187 I N 6.035 126.592 120.570 -0.022 0.000 2.354 187 I HA 0.297 4.467 4.170 -0.000 0.000 0.292 187 I C 0.161 176.225 176.117 -0.088 0.000 0.989 187 I CA -0.625 60.639 61.300 -0.061 0.000 1.188 187 I CB 1.266 39.225 38.000 -0.068 0.000 1.342 187 I HN 0.542 nan 8.210 nan 0.000 0.457 188 E N 4.700 124.828 120.200 -0.120 0.000 2.366 188 E HA 0.063 4.413 4.350 -0.000 0.000 0.266 188 E C 0.379 176.873 176.600 -0.176 0.000 1.051 188 E CA -0.382 55.932 56.400 -0.143 0.000 0.884 188 E CB 1.657 31.245 29.700 -0.188 0.000 1.006 188 E HN 0.379 nan 8.360 nan 0.000 0.417 189 K N 1.556 121.872 120.400 -0.139 0.000 2.031 189 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 189 K C 0.131 176.639 176.600 -0.153 0.000 1.049 189 K CA 1.419 57.630 56.287 -0.127 0.000 0.939 189 K CB 0.453 32.901 32.500 -0.086 0.000 0.717 189 K HN 0.358 nan 8.250 nan 0.000 0.438 190 E N -0.824 119.284 120.200 -0.154 0.000 2.383 190 E HA 0.122 4.472 4.350 -0.000 0.000 0.275 190 E C -1.154 175.348 176.600 -0.164 0.000 0.918 190 E CA -0.853 55.455 56.400 -0.153 0.000 0.764 190 E CB 0.900 30.575 29.700 -0.042 0.000 1.252 190 E HN 0.051 nan 8.360 nan 0.000 0.449 191 Y N 1.213 121.501 120.300 -0.019 0.000 2.632 191 Y HA 0.063 4.613 4.550 -0.000 0.000 0.329 191 Y C 1.457 177.341 175.900 -0.026 0.000 1.174 191 Y CA 0.490 58.576 58.100 -0.024 0.000 1.469 191 Y CB 0.310 38.754 38.460 -0.026 0.000 1.242 191 Y HN 0.322 nan 8.280 nan 0.000 0.540 192 T N 1.321 115.932 114.554 0.095 0.000 2.905 192 T HA 0.507 4.857 4.350 -0.000 0.000 0.283 192 T C -0.278 174.430 174.700 0.013 0.000 1.031 192 T CA -1.561 60.566 62.100 0.045 0.000 1.002 192 T CB 1.065 69.948 68.868 0.024 0.000 1.200 192 T HN 0.613 nan 8.240 nan 0.000 0.560 193 R N 1.898 122.385 120.500 -0.022 0.000 2.504 193 R HA 0.021 4.361 4.340 -0.000 0.000 0.291 193 R C -0.250 175.952 176.300 -0.163 0.000 0.974 193 R CA -0.143 55.872 56.100 -0.141 0.000 1.077 193 R CB -0.528 29.711 30.300 -0.101 0.000 0.926 193 R HN 0.836 nan 8.270 nan 0.000 0.407 194 N N 1.921 120.469 118.700 -0.253 0.000 2.376 194 N HA -0.022 4.718 4.740 -0.000 0.000 0.249 194 N C 0.021 175.461 175.510 -0.116 0.000 1.140 194 N CA -0.263 52.706 53.050 -0.135 0.000 0.870 194 N CB -0.237 38.206 38.487 -0.072 0.000 1.124 194 N HN 0.691 nan 8.380 nan 0.000 0.505 195 H N -0.527 118.577 119.070 0.056 0.000 2.423 195 H HA -0.018 4.538 4.556 -0.000 0.000 0.297 195 H C 1.266 176.645 175.328 0.084 0.000 1.075 195 H CA 1.988 58.077 56.048 0.067 0.000 1.342 195 H CB 0.267 30.085 29.762 0.095 0.000 1.395 195 H HN 0.222 nan 8.280 nan 0.000 0.530 196 T N 0.618 115.291 114.554 0.198 0.000 2.708 196 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 196 T C 1.721 176.482 174.700 0.102 0.000 1.037 196 T CA 1.617 63.829 62.100 0.187 0.000 1.146 196 T CB -0.144 68.723 68.868 -0.001 0.000 0.865 196 T HN 0.406 nan 8.240 nan 0.000 0.435 197 E N 1.278 121.499 120.200 0.035 0.000 2.058 197 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 197 E C 2.150 178.745 176.600 -0.007 0.000 0.997 197 E CA 1.243 57.648 56.400 0.008 0.000 0.801 197 E CB -0.274 29.427 29.700 0.001 0.000 0.746 197 E HN 0.379 nan 8.360 nan 0.000 0.450 198 D N -0.002 120.399 120.400 0.001 0.000 2.084 198 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 198 D C 1.930 178.193 176.300 -0.062 0.000 0.990 198 D CA 1.234 55.227 54.000 -0.011 0.000 0.826 198 D CB -0.223 40.596 40.800 0.032 0.000 0.971 198 D HN 0.199 nan 8.370 nan 0.000 0.453 199 M N -0.156 119.378 119.600 -0.110 0.000 2.296 199 M HA -0.088 4.392 4.480 -0.000 0.000 0.265 199 M C 2.074 178.020 176.300 -0.589 0.000 1.064 199 M CA 0.478 55.581 55.300 -0.328 0.000 1.109 199 M CB -0.056 32.272 32.600 -0.453 0.000 1.396 199 M HN 0.016 nan 8.290 nan 0.000 0.430 200 L N 0.786 121.762 121.223 -0.413 0.000 2.046 200 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 200 L C 2.256 179.072 176.870 -0.090 0.000 1.077 200 L CA 1.995 56.742 54.840 -0.156 0.000 0.747 200 L CB -0.637 41.476 42.059 0.090 0.000 0.896 200 L HN 0.294 nan 8.230 nan 0.000 0.432 201 Q N -1.003 118.737 119.800 -0.100 0.000 2.119 201 Q HA -0.264 4.076 4.340 -0.000 0.000 0.201 201 Q C 2.257 178.192 176.000 -0.107 0.000 0.972 201 Q CA 1.749 57.483 55.803 -0.116 0.000 0.847 201 Q CB -0.253 28.434 28.738 -0.086 0.000 0.903 201 Q HN 0.675 nan 8.270 nan 0.000 0.433 202 Q N -0.051 119.696 119.800 -0.089 0.000 2.170 202 Q HA -0.140 4.200 4.340 -0.000 0.000 0.203 202 Q C 0.662 176.569 176.000 -0.156 0.000 0.976 202 Q CA 1.010 56.749 55.803 -0.106 0.000 0.858 202 Q CB 0.131 28.820 28.738 -0.082 0.000 0.907 202 Q HN 0.310 nan 8.270 nan 0.000 0.433 203 F N -0.444 119.380 119.950 -0.210 0.000 2.693 203 F HA 0.265 4.792 4.527 -0.000 0.000 0.303 203 F C 1.308 177.068 175.800 -0.066 0.000 1.143 203 F CA 0.722 58.653 58.000 -0.116 0.000 1.389 203 F CB 0.522 39.470 39.000 -0.086 0.000 1.060 203 F HN 0.251 nan 8.300 nan 0.000 0.535 204 G N 0.049 108.836 108.800 -0.021 0.000 2.143 204 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.249 204 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.249 204 G C 0.752 175.556 174.900 -0.160 0.000 0.981 204 G CA -0.101 44.955 45.100 -0.073 0.000 0.665 204 G HN 0.765 nan 8.290 nan 0.000 0.528 205 G N -1.221 107.500 108.800 -0.131 0.000 2.557 205 G HA2 0.655 4.615 3.960 -0.000 0.000 0.292 205 G HA3 0.655 4.615 3.960 -0.000 0.000 0.292 205 G C -0.622 174.021 174.900 -0.429 0.000 1.237 205 G CA -0.456 44.579 45.100 -0.108 0.000 0.978 205 G HN 0.564 nan 8.290 nan 0.000 0.498 206 H N -1.672 117.432 119.070 0.057 0.000 2.851 206 H HA 0.665 5.221 4.556 -0.000 0.000 0.372 206 H C -0.064 175.281 175.328 0.029 0.000 1.158 206 H CA -0.632 55.438 56.048 0.037 0.000 1.159 206 H CB 2.175 31.956 29.762 0.030 0.000 1.757 206 H HN 0.663 nan 8.280 nan 0.000 0.546 207 L N -1.570 119.731 121.223 0.130 0.000 2.775 207 L HA 0.814 5.154 4.340 -0.000 0.000 0.263 207 L C -1.482 175.424 176.870 0.060 0.000 1.017 207 L CA -0.833 54.050 54.840 0.073 0.000 0.891 207 L CB 2.416 44.498 42.059 0.038 0.000 1.482 207 L HN 0.496 nan 8.230 nan 0.000 0.410 208 S N 0.747 116.472 115.700 0.041 0.000 2.519 208 S HA 0.753 5.223 4.470 -0.000 0.000 0.309 208 S C -0.684 173.933 174.600 0.028 0.000 1.100 208 S CA -0.567 57.654 58.200 0.035 0.000 1.059 208 S CB 1.903 65.122 63.200 0.031 0.000 1.008 208 S HN 0.460 nan 8.310 nan 0.000 0.478 209 V N 3.126 123.059 119.914 0.031 0.000 2.378 209 V HA 0.447 4.567 4.120 -0.000 0.000 0.288 209 V C -0.807 175.313 176.094 0.043 0.000 1.016 209 V CA -0.625 61.697 62.300 0.038 0.000 0.840 209 V CB 1.634 33.483 31.823 0.042 0.000 0.994 209 V HN 0.848 nan 8.190 nan 0.000 0.431 210 D N 4.017 124.444 120.400 0.046 0.000 2.420 210 D HA 0.571 5.211 4.640 -0.000 0.000 0.255 210 D C 0.648 176.988 176.300 0.066 0.000 1.185 210 D CA 0.994 55.022 54.000 0.047 0.000 0.904 210 D CB 1.135 41.954 40.800 0.032 0.000 1.102 210 D HN 0.805 nan 8.370 nan 0.000 0.534 211 G N 4.379 113.247 108.800 0.114 0.000 2.561 211 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.289 211 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.289 211 G C 0.828 175.840 174.900 0.187 0.000 1.169 211 G CA 0.437 45.653 45.100 0.192 0.000 0.980 211 G HN 0.523 nan 8.290 nan 0.000 0.550 212 K N 0.931 121.310 120.400 -0.036 0.000 2.444 212 K HA 0.130 4.450 4.320 -0.000 0.000 0.193 212 K C 1.119 177.662 176.600 -0.095 0.000 1.024 212 K CA 0.355 56.507 56.287 -0.225 0.000 1.077 212 K CB 0.241 32.499 32.500 -0.402 0.000 0.833 212 K HN 0.364 nan 8.250 nan 0.000 0.517 213 K N 2.131 122.513 120.400 -0.031 0.000 2.276 213 K HA 0.211 4.531 4.320 -0.000 0.000 0.285 213 K C -0.933 175.667 176.600 0.000 0.000 1.062 213 K CA -0.139 56.138 56.287 -0.017 0.000 0.918 213 K CB 0.490 32.988 32.500 -0.003 0.000 1.055 213 K HN -0.020 nan 8.250 nan 0.000 0.477 214 I N 3.818 124.383 120.570 -0.009 0.000 2.355 214 I HA 0.147 4.317 4.170 -0.000 0.000 0.288 214 I C -0.300 175.809 176.117 -0.014 0.000 0.999 214 I CA -0.618 60.679 61.300 -0.005 0.000 1.163 214 I CB 2.050 40.043 38.000 -0.011 0.000 1.316 214 I HN 0.481 nan 8.210 nan 0.000 0.454 215 T N 5.929 120.480 114.554 -0.004 0.000 2.794 215 T HA 0.472 4.822 4.350 -0.000 0.000 0.280 215 T C -0.654 174.044 174.700 -0.004 0.000 0.987 215 T CA -0.504 61.589 62.100 -0.011 0.000 0.993 215 T CB 2.003 70.874 68.868 0.005 0.000 0.939 215 T HN 0.328 nan 8.240 nan 0.000 0.449 216 V N 4.461 124.364 119.914 -0.018 0.000 2.569 216 V HA 0.440 4.560 4.120 -0.000 0.000 0.301 216 V C -1.228 174.866 176.094 0.000 0.000 1.044 216 V CA -0.745 61.555 62.300 0.000 0.000 0.874 216 V CB 1.870 33.687 31.823 -0.011 0.000 1.002 216 V HN 0.738 nan 8.190 nan 0.000 0.424 217 Q N 3.727 123.541 119.800 0.024 0.000 2.259 217 Q HA 0.661 5.001 4.340 -0.000 0.000 0.246 217 Q C 0.194 176.212 176.000 0.031 0.000 0.920 217 Q CA 0.085 55.901 55.803 0.022 0.000 0.895 217 Q CB 1.863 30.616 28.738 0.024 0.000 1.220 217 Q HN 1.034 nan 8.270 nan 0.000 0.439 218 G N 1.856 110.670 108.800 0.024 0.000 2.612 218 G HA2 0.665 4.625 3.960 -0.000 0.000 0.298 218 G HA3 0.665 4.625 3.960 -0.000 0.000 0.298 218 G C -2.777 172.139 174.900 0.028 0.000 1.336 218 G CA -1.162 43.956 45.100 0.030 0.000 0.953 218 G HN 0.340 nan 8.290 nan 0.000 0.482 219 P HA 0.357 nan 4.420 nan 0.000 0.281 219 P C -1.021 176.313 177.300 0.057 0.000 1.264 219 P CA -0.318 62.807 63.100 0.041 0.000 0.824 219 P CB 1.976 33.697 31.700 0.035 0.000 1.092 220 Q N 0.236 120.080 119.800 0.073 0.000 2.433 220 Q HA 0.481 4.821 4.340 -0.000 0.000 0.279 220 Q C -0.669 175.393 176.000 0.102 0.000 1.105 220 Q CA -0.984 54.879 55.803 0.100 0.000 0.815 220 Q CB 2.232 31.048 28.738 0.129 0.000 1.403 220 Q HN 0.244 nan 8.270 nan 0.000 0.435 221 K N 1.756 122.225 120.400 0.115 0.000 2.324 221 K HA 0.586 4.906 4.320 -0.000 0.000 0.253 221 K C -0.956 175.729 176.600 0.140 0.000 0.932 221 K CA -0.388 55.966 56.287 0.112 0.000 0.799 221 K CB 1.518 34.072 32.500 0.090 0.000 1.154 221 K HN 0.523 nan 8.250 nan 0.000 0.425 222 L N 0.664 121.982 121.223 0.160 0.000 2.304 222 L HA 0.615 4.955 4.340 -0.000 0.000 0.268 222 L C 0.184 177.170 176.870 0.194 0.000 1.010 222 L CA -0.917 54.051 54.840 0.212 0.000 0.813 222 L CB 1.944 44.190 42.059 0.310 0.000 1.315 222 L HN 0.429 nan 8.230 nan 0.000 0.445 223 T N -0.117 114.555 114.554 0.198 0.000 2.841 223 T HA 0.441 4.790 4.350 -0.000 0.000 0.283 223 T C 0.182 174.942 174.700 0.100 0.000 1.000 223 T CA -0.546 61.624 62.100 0.117 0.000 0.977 223 T CB 1.773 70.664 68.868 0.038 0.000 0.979 223 T HN 0.770 nan 8.240 nan 0.000 0.446 224 G N 2.314 111.164 108.800 0.084 0.000 2.562 224 G HA2 0.405 4.365 3.960 -0.000 0.000 0.233 224 G HA3 0.405 4.365 3.960 -0.000 0.000 0.233 224 G C -0.519 174.259 174.900 -0.202 0.000 1.266 224 G CA -0.115 45.013 45.100 0.047 0.000 0.852 224 G HN 0.499 nan 8.290 nan 0.000 0.581 225 Q N -0.512 119.077 119.800 -0.352 0.000 2.615 225 Q HA 0.372 4.712 4.340 -0.000 0.000 0.298 225 Q C -0.810 175.083 176.000 -0.178 0.000 1.023 225 Q CA -0.946 54.594 55.803 -0.438 0.000 0.768 225 Q CB 2.229 30.386 28.738 -0.969 0.000 1.500 225 Q HN 0.648 nan 8.270 nan 0.000 0.441 226 K N 0.965 121.297 120.400 -0.113 0.000 2.234 226 K HA 0.496 4.816 4.320 -0.000 0.000 0.277 226 K C -1.176 175.449 176.600 0.041 0.000 1.038 226 K CA -0.290 56.029 56.287 0.054 0.000 0.888 226 K CB 0.814 33.340 32.500 0.043 0.000 1.091 226 K HN 0.308 nan 8.250 nan 0.000 0.467 227 V N 5.040 125.047 119.914 0.155 0.000 2.384 227 V HA 0.271 4.391 4.120 -0.000 0.000 0.287 227 V C -0.538 175.675 176.094 0.198 0.000 1.020 227 V CA -0.962 61.422 62.300 0.140 0.000 0.850 227 V CB 1.635 33.564 31.823 0.176 0.000 0.987 227 V HN 0.508 nan 8.190 nan 0.000 0.436 228 V N 5.976 125.956 119.914 0.110 0.000 2.311 228 V HA 0.296 4.416 4.120 -0.000 0.000 0.275 228 V C 0.085 176.217 176.094 0.064 0.000 1.022 228 V CA -0.574 61.783 62.300 0.096 0.000 0.830 228 V CB 1.615 33.441 31.823 0.005 0.000 1.012 228 V HN 0.637 nan 8.190 nan 0.000 0.452 229 V N 8.888 128.844 119.914 0.070 0.000 2.470 229 V HA 0.237 4.357 4.120 -0.000 0.000 0.276 229 V C -1.432 174.672 176.094 0.016 0.000 1.040 229 V CA -1.115 61.203 62.300 0.031 0.000 1.008 229 V CB 0.994 32.828 31.823 0.017 0.000 0.990 229 V HN 0.722 nan 8.190 nan 0.000 0.477 230 P HA 0.239 nan 4.420 nan 0.000 0.276 230 P C 0.242 177.540 177.300 -0.003 0.000 1.252 230 P CA -0.120 62.983 63.100 0.006 0.000 0.802 230 P CB 0.981 32.687 31.700 0.010 0.000 1.035 231 G N 0.820 109.622 108.800 0.004 0.000 2.491 231 G HA2 0.021 3.981 3.960 -0.000 0.000 0.238 231 G HA3 0.021 3.981 3.960 -0.000 0.000 0.238 231 G C -0.250 174.647 174.900 -0.004 0.000 1.277 231 G CA -0.112 44.987 45.100 -0.002 0.000 0.851 231 G HN 0.500 nan 8.290 nan 0.000 0.573 232 D N 1.201 121.588 120.400 -0.021 0.000 2.317 232 D HA 0.040 4.680 4.640 -0.000 0.000 0.252 232 D C 1.418 177.726 176.300 0.012 0.000 1.174 232 D CA -0.434 53.558 54.000 -0.012 0.000 0.866 232 D CB 1.137 41.919 40.800 -0.030 0.000 1.127 232 D HN 0.218 nan 8.370 nan 0.000 0.467 233 I N 2.882 123.466 120.570 0.022 0.000 2.614 233 I HA -0.224 3.946 4.170 -0.000 0.000 0.258 233 I C 1.585 177.693 176.117 -0.016 0.000 1.189 233 I CA 0.673 61.986 61.300 0.020 0.000 1.462 233 I CB 0.297 38.312 38.000 0.024 0.000 1.092 233 I HN 0.230 nan 8.210 nan 0.000 0.442 234 S N 0.034 115.723 115.700 -0.018 0.000 2.423 234 S HA -0.110 4.360 4.470 -0.000 0.000 0.231 234 S C 2.002 176.547 174.600 -0.092 0.000 1.014 234 S CA 1.413 59.568 58.200 -0.076 0.000 0.965 234 S CB -0.008 63.188 63.200 -0.006 0.000 0.785 234 S HN 0.492 nan 8.310 nan 0.000 0.495 235 S N 1.259 116.986 115.700 0.044 0.000 2.421 235 S HA 0.196 4.666 4.470 -0.000 0.000 0.224 235 S C 2.203 176.961 174.600 0.264 0.000 1.035 235 S CA 0.611 58.942 58.200 0.218 0.000 0.953 235 S CB -0.215 62.943 63.200 -0.070 0.000 0.810 235 S HN 0.570 nan 8.310 nan 0.000 0.497 236 A N 1.700 124.612 122.820 0.153 0.000 1.969 236 A HA 0.201 4.521 4.320 -0.000 0.000 0.218 236 A C 2.283 179.928 177.584 0.102 0.000 1.169 236 A CA 1.431 53.610 52.037 0.237 0.000 0.635 236 A CB -0.907 18.193 19.000 0.166 0.000 0.810 236 A HN 0.478 nan 8.150 nan 0.000 0.445 237 A N -0.641 122.120 122.820 -0.099 0.000 1.986 237 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 237 A C 1.901 179.306 177.584 -0.297 0.000 1.171 237 A CA 1.621 53.516 52.037 -0.237 0.000 0.640 237 A CB -0.879 17.880 19.000 -0.402 0.000 0.811 237 A HN 0.541 nan 8.150 nan 0.000 0.451 238 F N -2.115 117.711 119.950 -0.206 0.000 2.234 238 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 238 F C 2.115 177.709 175.800 -0.344 0.000 1.087 238 F CA 1.077 58.852 58.000 -0.376 0.000 1.340 238 F CB -0.428 38.211 39.000 -0.602 0.000 1.031 238 F HN 0.390 nan 8.300 nan 0.000 0.500 239 W N -0.349 121.114 121.300 0.272 0.000 2.494 239 W HA 0.075 4.735 4.660 -0.000 0.000 0.286 239 W C 2.058 178.636 176.519 0.097 0.000 1.218 239 W CA -0.064 57.377 57.345 0.161 0.000 1.313 239 W CB -0.505 29.043 29.460 0.147 0.000 1.105 239 W HN -0.111 nan 8.180 nan 0.000 0.561 240 L N -0.069 121.302 121.223 0.247 0.000 2.012 240 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 240 L C 2.200 179.134 176.870 0.106 0.000 1.073 240 L CA 1.077 56.003 54.840 0.143 0.000 0.748 240 L CB -1.121 40.980 42.059 0.070 0.000 0.891 240 L HN -0.096 nan 8.230 nan 0.000 0.431 241 V N -0.260 119.697 119.914 0.071 0.000 2.379 241 V HA -0.227 3.892 4.120 -0.000 0.000 0.245 241 V C 2.706 178.857 176.094 0.096 0.000 1.044 241 V CA 1.616 63.949 62.300 0.054 0.000 1.036 241 V CB -0.768 31.062 31.823 0.011 0.000 0.664 241 V HN 0.465 nan 8.190 nan 0.000 0.453 242 A N 0.698 123.609 122.820 0.153 0.000 1.908 242 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 242 A C 2.407 180.090 177.584 0.164 0.000 1.181 242 A CA 2.042 54.191 52.037 0.187 0.000 0.627 242 A CB -1.237 17.958 19.000 0.325 0.000 0.818 242 A HN 0.532 nan 8.150 nan 0.000 0.445 243 G N -0.588 108.319 108.800 0.179 0.000 2.422 243 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.218 243 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.218 243 G C 1.518 176.476 174.900 0.097 0.000 1.140 243 G CA 0.980 46.160 45.100 0.135 0.000 0.775 243 G HN 0.439 nan 8.290 nan 0.000 0.545 244 L N -0.615 120.660 121.223 0.087 0.000 2.131 244 L HA 0.146 4.486 4.340 -0.000 0.000 0.206 244 L C 2.525 179.429 176.870 0.057 0.000 1.087 244 L CA 0.194 55.072 54.840 0.063 0.000 0.767 244 L CB -0.106 41.983 42.059 0.051 0.000 0.917 244 L HN 0.104 nan 8.230 nan 0.000 0.441 245 I N -0.154 120.453 120.570 0.062 0.000 2.585 245 I HA 0.038 4.208 4.170 -0.000 0.000 0.254 245 I C 1.472 177.622 176.117 0.055 0.000 1.129 245 I CA 0.149 61.481 61.300 0.053 0.000 1.455 245 I CB -0.354 37.677 38.000 0.051 0.000 1.111 245 I HN 0.013 nan 8.210 nan 0.000 0.433 246 A N 2.403 125.264 122.820 0.067 0.000 2.351 246 A HA 0.448 4.768 4.320 -0.000 0.000 0.257 246 A C -2.275 175.346 177.584 0.062 0.000 1.087 246 A CA -0.922 51.152 52.037 0.061 0.000 0.798 246 A CB -0.655 18.386 19.000 0.068 0.000 1.033 246 A HN 0.041 nan 8.150 nan 0.000 0.488 247 P HA 0.184 nan 4.420 nan 0.000 0.279 247 P C -0.778 176.578 177.300 0.093 0.000 1.252 247 P CA -0.367 62.772 63.100 0.065 0.000 0.811 247 P CB 0.187 31.920 31.700 0.054 0.000 1.035 248 N N -1.282 117.475 118.700 0.094 0.000 2.686 248 N HA -0.126 4.614 4.740 -0.000 0.000 0.261 248 N C -0.744 174.854 175.510 0.146 0.000 1.001 248 N CA 0.808 53.928 53.050 0.117 0.000 0.764 248 N CB -1.385 37.192 38.487 0.149 0.000 0.898 248 N HN 0.308 nan 8.380 nan 0.000 0.544 249 S N 0.294 116.063 115.700 0.114 0.000 2.568 249 S HA 0.706 5.176 4.470 -0.000 0.000 0.293 249 S C -0.195 174.465 174.600 0.100 0.000 1.089 249 S CA -0.878 57.395 58.200 0.120 0.000 0.945 249 S CB 2.851 66.113 63.200 0.103 0.000 1.077 249 S HN 0.441 nan 8.310 nan 0.000 0.485 250 R N 1.942 122.507 120.500 0.107 0.000 2.585 250 R HA 0.449 4.789 4.340 -0.000 0.000 0.288 250 R C -2.397 173.952 176.300 0.081 0.000 1.194 250 R CA -0.441 55.708 56.100 0.083 0.000 1.006 250 R CB 0.299 30.638 30.300 0.066 0.000 1.229 250 R HN 0.447 nan 8.270 nan 0.000 0.412 251 L N 3.976 125.241 121.223 0.070 0.000 2.346 251 L HA 0.565 4.905 4.340 -0.000 0.000 0.274 251 L C -0.584 176.313 176.870 0.045 0.000 1.007 251 L CA -0.898 53.971 54.840 0.049 0.000 0.818 251 L CB 2.147 44.246 42.059 0.067 0.000 1.284 251 L HN 0.290 nan 8.230 nan 0.000 0.424 252 V N 4.470 124.397 119.914 0.021 0.000 2.378 252 V HA 0.448 4.568 4.120 -0.000 0.000 0.288 252 V C -0.273 175.834 176.094 0.021 0.000 1.016 252 V CA -0.468 61.846 62.300 0.024 0.000 0.840 252 V CB 1.440 33.271 31.823 0.013 0.000 0.994 252 V HN 0.476 nan 8.190 nan 0.000 0.431 253 L N 5.853 127.106 121.223 0.050 0.000 2.301 253 L HA 0.524 4.864 4.340 -0.000 0.000 0.278 253 L C 0.141 177.044 176.870 0.055 0.000 1.022 253 L CA -0.296 54.585 54.840 0.068 0.000 0.854 253 L CB 1.028 43.165 42.059 0.131 0.000 1.226 253 L HN 0.620 nan 8.230 nan 0.000 0.429 254 Q N 2.116 121.939 119.800 0.039 0.000 2.221 254 Q HA 0.208 4.548 4.340 -0.000 0.000 0.242 254 Q C 0.371 176.390 176.000 0.033 0.000 0.940 254 Q CA -0.632 55.189 55.803 0.030 0.000 0.896 254 Q CB 1.024 29.773 28.738 0.018 0.000 1.226 254 Q HN 0.586 nan 8.270 nan 0.000 0.463 255 N N -0.216 118.499 118.700 0.025 0.000 2.740 255 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 255 N C -1.527 173.999 175.510 0.028 0.000 1.062 255 N CA -0.298 52.766 53.050 0.022 0.000 0.704 255 N CB -0.403 38.095 38.487 0.019 0.000 0.968 255 N HN 0.269 nan 8.380 nan 0.000 0.547 256 V N 0.905 120.839 119.914 0.034 0.000 2.407 256 V HA 0.485 4.604 4.120 -0.000 0.000 0.278 256 V C 1.466 177.580 176.094 0.033 0.000 1.037 256 V CA -0.141 62.182 62.300 0.039 0.000 0.900 256 V CB 1.484 33.338 31.823 0.051 0.000 0.983 256 V HN 0.329 nan 8.190 nan 0.000 0.459 257 G N 3.381 112.201 108.800 0.034 0.000 2.340 257 G HA2 0.312 4.272 3.960 -0.000 0.000 0.245 257 G HA3 0.312 4.272 3.960 -0.000 0.000 0.245 257 G C 0.151 175.079 174.900 0.047 0.000 1.294 257 G CA -0.110 45.016 45.100 0.042 0.000 0.896 257 G HN 0.847 nan 8.290 nan 0.000 0.522 258 I N 2.040 122.635 120.570 0.043 0.000 3.569 258 I HA 0.195 4.365 4.170 -0.000 0.000 0.334 258 I C 0.690 176.825 176.117 0.031 0.000 1.570 258 I CA -0.652 60.668 61.300 0.033 0.000 1.082 258 I CB -0.387 37.626 38.000 0.022 0.000 1.323 258 I HN 0.546 nan 8.210 nan 0.000 0.489 259 N N 0.907 119.639 118.700 0.053 0.000 2.447 259 N HA -0.103 4.637 4.740 -0.000 0.000 0.263 259 N C 1.093 176.606 175.510 0.005 0.000 1.226 259 N CA 0.126 53.199 53.050 0.037 0.000 0.906 259 N CB 0.812 39.347 38.487 0.080 0.000 1.060 259 N HN 0.177 nan 8.380 nan 0.000 0.468 260 E N 0.858 121.046 120.200 -0.020 0.000 2.147 260 E HA -0.226 4.124 4.350 -0.000 0.000 0.199 260 E C 1.551 178.128 176.600 -0.038 0.000 1.005 260 E CA 1.882 58.261 56.400 -0.034 0.000 0.810 260 E CB -0.297 29.370 29.700 -0.055 0.000 0.736 260 E HN 0.816 nan 8.360 nan 0.000 0.460 261 T N -2.201 112.321 114.554 -0.053 0.000 3.194 261 T HA 0.133 4.483 4.350 -0.000 0.000 0.251 261 T C 1.383 176.068 174.700 -0.025 0.000 1.132 261 T CA 0.079 62.150 62.100 -0.047 0.000 1.028 261 T CB 0.198 69.020 68.868 -0.076 0.000 0.976 261 T HN -0.085 nan 8.240 nan 0.000 0.535 262 R N 0.606 121.103 120.500 -0.005 0.000 2.521 262 R HA 0.147 4.487 4.340 -0.000 0.000 0.289 262 R C 1.423 177.734 176.300 0.018 0.000 0.936 262 R CA 0.816 56.932 56.100 0.027 0.000 1.089 262 R CB 0.247 30.596 30.300 0.080 0.000 1.348 262 R HN 0.605 nan 8.270 nan 0.000 0.536 263 T N -2.480 112.078 114.554 0.007 0.000 3.312 263 T HA 0.118 4.468 4.350 -0.000 0.000 0.251 263 T C 1.585 176.282 174.700 -0.005 0.000 1.012 263 T CA 0.357 62.458 62.100 0.002 0.000 0.925 263 T CB 0.473 69.341 68.868 0.002 0.000 1.049 263 T HN 0.133 nan 8.240 nan 0.000 0.583 264 G N 1.810 110.606 108.800 -0.007 0.000 2.442 264 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 264 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 264 G C 1.242 176.133 174.900 -0.015 0.000 1.141 264 G CA 0.562 45.656 45.100 -0.010 0.000 0.763 264 G HN 0.624 nan 8.290 nan 0.000 0.554 265 I N 0.393 120.949 120.570 -0.023 0.000 2.614 265 I HA -0.095 4.075 4.170 -0.000 0.000 0.258 265 I C 2.207 178.314 176.117 -0.016 0.000 1.189 265 I CA 0.483 61.765 61.300 -0.029 0.000 1.462 265 I CB 0.029 37.998 38.000 -0.051 0.000 1.092 265 I HN 0.034 nan 8.210 nan 0.000 0.442 266 I N 0.998 121.562 120.570 -0.009 0.000 2.202 266 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 266 I C 2.086 178.201 176.117 -0.003 0.000 1.091 266 I CA 1.475 62.774 61.300 -0.002 0.000 1.368 266 I CB -1.529 36.472 38.000 0.001 0.000 1.058 266 I HN 0.259 nan 8.210 nan 0.000 0.410 267 D N 0.789 121.186 120.400 -0.005 0.000 2.123 267 D HA -0.130 4.510 4.640 -0.000 0.000 0.196 267 D C 2.431 178.729 176.300 -0.004 0.000 0.992 267 D CA 0.934 54.931 54.000 -0.005 0.000 0.833 267 D CB -0.386 40.410 40.800 -0.006 0.000 0.954 267 D HN 0.126 nan 8.370 nan 0.000 0.455 268 V N 1.100 121.010 119.914 -0.007 0.000 2.295 268 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 268 V C 2.513 178.604 176.094 -0.004 0.000 1.049 268 V CA 1.096 63.392 62.300 -0.007 0.000 1.024 268 V CB -0.355 31.460 31.823 -0.013 0.000 0.648 268 V HN 0.194 nan 8.190 nan 0.000 0.447 269 I N -0.611 119.957 120.570 -0.003 0.000 2.226 269 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 269 I C 2.753 178.873 176.117 0.006 0.000 1.100 269 I CA 1.407 62.708 61.300 0.003 0.000 1.374 269 I CB -0.346 37.658 38.000 0.007 0.000 1.057 269 I HN 0.205 nan 8.210 nan 0.000 0.413 270 R N 0.943 121.446 120.500 0.004 0.000 2.081 270 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 270 R C 2.365 178.668 176.300 0.004 0.000 1.131 270 R CA 1.643 57.746 56.100 0.005 0.000 0.960 270 R CB -0.876 29.426 30.300 0.003 0.000 0.856 270 R HN 0.382 nan 8.270 nan 0.000 0.436 271 A N 0.021 122.842 122.820 0.002 0.000 1.902 271 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 271 A C 1.992 179.578 177.584 0.003 0.000 1.181 271 A CA 1.669 53.707 52.037 0.002 0.000 0.623 271 A CB -0.431 18.570 19.000 0.000 0.000 0.818 271 A HN 0.273 nan 8.150 nan 0.000 0.443 272 M N -1.263 118.339 119.600 0.004 0.000 2.659 272 M HA 0.137 4.617 4.480 -0.000 0.000 0.243 272 M C 1.284 177.589 176.300 0.008 0.000 1.111 272 M CA 0.796 56.099 55.300 0.005 0.000 1.070 272 M CB 0.062 32.665 32.600 0.005 0.000 1.525 272 M HN 0.648 nan 8.290 nan 0.000 0.517 273 G N 0.823 109.628 108.800 0.008 0.000 2.137 273 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.237 273 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.237 273 G C 0.224 175.132 174.900 0.014 0.000 1.002 273 G CA -0.192 44.914 45.100 0.010 0.000 0.702 273 G HN 0.635 nan 8.290 nan 0.000 0.515 274 G N -0.365 108.443 108.800 0.015 0.000 2.503 274 G HA2 0.493 4.453 3.960 -0.000 0.000 0.257 274 G HA3 0.493 4.453 3.960 -0.000 0.000 0.257 274 G C 0.201 175.114 174.900 0.021 0.000 1.214 274 G CA -0.550 44.562 45.100 0.020 0.000 0.839 274 G HN 0.397 nan 8.290 nan 0.000 0.559 275 K N 1.680 122.095 120.400 0.026 0.000 2.262 275 K HA 0.187 4.507 4.320 -0.000 0.000 0.288 275 K C -0.676 175.941 176.600 0.029 0.000 1.090 275 K CA -0.228 56.074 56.287 0.026 0.000 0.918 275 K CB 0.702 33.218 32.500 0.028 0.000 1.139 275 K HN 0.168 nan 8.250 nan 0.000 0.462 276 L N 3.009 124.247 121.223 0.025 0.000 2.376 276 L HA 0.396 4.736 4.340 -0.000 0.000 0.275 276 L C -1.027 175.857 176.870 0.023 0.000 0.987 276 L CA -0.262 54.595 54.840 0.027 0.000 0.828 276 L CB 1.701 43.775 42.059 0.025 0.000 1.249 276 L HN 0.669 nan 8.230 nan 0.000 0.409 277 E N 5.429 125.644 120.200 0.025 0.000 2.187 277 E HA 0.478 4.828 4.350 -0.000 0.000 0.268 277 E C -1.304 175.309 176.600 0.021 0.000 0.896 277 E CA -0.664 55.748 56.400 0.020 0.000 0.766 277 E CB 1.911 31.622 29.700 0.019 0.000 1.142 277 E HN 0.653 nan 8.360 nan 0.000 0.408 278 I N 3.696 124.276 120.570 0.017 0.000 2.355 278 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 278 I C 0.209 176.333 176.117 0.013 0.000 0.999 278 I CA -0.293 61.017 61.300 0.016 0.000 1.163 278 I CB 1.867 39.875 38.000 0.014 0.000 1.316 278 I HN 0.430 nan 8.210 nan 0.000 0.454 279 T N 3.558 118.120 114.554 0.014 0.000 2.831 279 T HA 0.310 4.660 4.350 -0.000 0.000 0.287 279 T C -0.499 174.207 174.700 0.009 0.000 1.070 279 T CA -0.347 61.759 62.100 0.010 0.000 1.010 279 T CB 1.045 69.919 68.868 0.010 0.000 1.264 279 T HN 0.730 nan 8.240 nan 0.000 0.532 280 E N 0.910 121.113 120.200 0.006 0.000 2.228 280 E HA -0.168 4.182 4.350 -0.000 0.000 0.213 280 E C -0.422 176.181 176.600 0.004 0.000 1.282 280 E CA 0.137 56.539 56.400 0.004 0.000 0.707 280 E CB -1.633 28.070 29.700 0.005 0.000 1.150 280 E HN 0.516 nan 8.360 nan 0.000 0.362 281 I N 1.565 122.137 120.570 0.004 0.000 2.505 281 I HA -0.012 4.158 4.170 -0.000 0.000 0.287 281 I C 0.950 177.068 176.117 0.000 0.000 1.104 281 I CA 0.339 61.641 61.300 0.003 0.000 1.387 281 I CB 0.223 38.225 38.000 0.002 0.000 1.404 281 I HN 0.098 nan 8.210 nan 0.000 0.528 282 D N 10.380 130.780 120.400 0.001 0.000 2.456 282 D HA 0.149 4.789 4.640 -0.000 0.000 0.219 282 D C -1.361 174.937 176.300 -0.003 0.000 1.126 282 D CA -1.945 52.054 54.000 -0.003 0.000 0.890 282 D CB 1.360 42.158 40.800 -0.003 0.000 1.025 282 D HN 0.309 nan 8.370 nan 0.000 0.511 283 P HA -0.153 nan 4.420 nan 0.000 0.222 283 P C 1.426 178.722 177.300 -0.008 0.000 1.142 283 P CA 0.448 63.545 63.100 -0.006 0.000 0.788 283 P CB 0.672 32.367 31.700 -0.008 0.000 0.767 284 V N 1.632 121.540 119.914 -0.010 0.000 2.298 284 V HA -0.064 4.056 4.120 -0.000 0.000 0.226 284 V C 2.680 178.770 176.094 -0.008 0.000 1.053 284 V CA 2.108 64.400 62.300 -0.013 0.000 1.029 284 V CB -1.790 30.022 31.823 -0.019 0.000 0.659 284 V HN 0.047 nan 8.190 nan 0.000 0.470 285 A N -0.994 121.822 122.820 -0.007 0.000 2.259 285 A HA -0.079 4.241 4.320 -0.000 0.000 0.212 285 A C 1.002 178.594 177.584 0.013 0.000 1.178 285 A CA 0.620 52.658 52.037 0.001 0.000 0.734 285 A CB -0.727 18.273 19.000 -0.001 0.000 0.774 285 A HN 0.599 nan 8.150 nan 0.000 0.481 286 K N -0.107 120.299 120.400 0.010 0.000 3.974 286 K HA -0.131 4.189 4.320 -0.000 0.000 0.280 286 K C 0.047 176.660 176.600 0.021 0.000 0.949 286 K CA 0.969 57.266 56.287 0.015 0.000 0.817 286 K CB -2.017 30.497 32.500 0.024 0.000 1.535 286 K HN 0.910 nan 8.250 nan 0.000 0.444 287 S N -1.078 114.631 115.700 0.015 0.000 2.697 287 S HA 0.950 5.420 4.470 -0.000 0.000 0.289 287 S C -0.653 173.956 174.600 0.015 0.000 1.149 287 S CA -0.418 57.793 58.200 0.018 0.000 0.850 287 S CB 2.819 66.028 63.200 0.016 0.000 1.151 287 S HN 0.925 nan 8.310 nan 0.000 0.491 288 A N 0.196 123.028 122.820 0.019 0.000 2.540 288 A HA 0.760 5.080 4.320 -0.000 0.000 0.291 288 A C -0.858 176.740 177.584 0.023 0.000 1.083 288 A CA -0.781 51.267 52.037 0.018 0.000 0.650 288 A CB 0.822 19.832 19.000 0.017 0.000 1.292 288 A HN 0.848 nan 8.150 nan 0.000 0.435 289 T N 1.313 115.880 114.554 0.022 0.000 2.767 289 T HA 0.564 4.914 4.350 -0.000 0.000 0.284 289 T C -0.922 173.797 174.700 0.031 0.000 0.973 289 T CA -0.133 61.983 62.100 0.027 0.000 0.996 289 T CB 0.437 69.318 68.868 0.020 0.000 0.927 289 T HN 0.363 nan 8.240 nan 0.000 0.456 290 L N 4.503 125.752 121.223 0.043 0.000 2.296 290 L HA 0.594 4.934 4.340 -0.000 0.000 0.286 290 L C -0.234 176.667 176.870 0.053 0.000 1.023 290 L CA -0.521 54.347 54.840 0.048 0.000 0.812 290 L CB 1.120 43.215 42.059 0.060 0.000 1.223 290 L HN 0.620 nan 8.230 nan 0.000 0.421 291 I N 3.827 124.424 120.570 0.045 0.000 2.418 291 I HA 0.524 4.694 4.170 -0.000 0.000 0.287 291 I C -0.549 175.598 176.117 0.050 0.000 1.008 291 I CA -0.826 60.501 61.300 0.046 0.000 1.104 291 I CB 2.259 40.279 38.000 0.034 0.000 1.264 291 I HN 0.271 nan 8.210 nan 0.000 0.438 292 V N 6.436 126.388 119.914 0.063 0.000 2.769 292 V HA 0.604 4.724 4.120 -0.000 0.000 0.312 292 V C -0.792 175.340 176.094 0.064 0.000 1.061 292 V CA -0.052 62.287 62.300 0.064 0.000 0.931 292 V CB 2.385 34.257 31.823 0.082 0.000 1.010 292 V HN 0.844 nan 8.190 nan 0.000 0.433 293 E N 2.605 122.839 120.200 0.056 0.000 2.367 293 E HA 0.464 4.814 4.350 -0.000 0.000 0.273 293 E C -0.911 175.722 176.600 0.054 0.000 0.903 293 E CA -0.833 55.600 56.400 0.055 0.000 0.764 293 E CB 2.204 31.930 29.700 0.043 0.000 1.252 293 E HN 0.713 nan 8.360 nan 0.000 0.446 294 S N 1.345 117.079 115.700 0.057 0.000 2.593 294 S HA 0.109 4.579 4.470 -0.000 0.000 0.300 294 S C -0.464 174.161 174.600 0.042 0.000 1.267 294 S CA 0.208 58.440 58.200 0.053 0.000 1.065 294 S CB 0.108 63.341 63.200 0.055 0.000 0.807 294 S HN 0.390 nan 8.310 nan 0.000 0.499 295 S N 1.550 117.273 115.700 0.039 0.000 2.588 295 S HA 0.415 4.885 4.470 -0.000 0.000 0.275 295 S C -1.520 173.096 174.600 0.027 0.000 1.130 295 S CA -1.103 57.116 58.200 0.031 0.000 0.855 295 S CB 1.410 64.628 63.200 0.029 0.000 1.116 295 S HN 0.621 nan 8.310 nan 0.000 0.472 296 D N 1.879 122.292 120.400 0.023 0.000 2.274 296 D HA 0.527 5.167 4.640 -0.000 0.000 0.239 296 D C -0.498 175.812 176.300 0.017 0.000 1.104 296 D CA -0.137 53.875 54.000 0.020 0.000 0.840 296 D CB 1.047 41.858 40.800 0.018 0.000 1.100 296 D HN 0.278 nan 8.370 nan 0.000 0.477 297 L N 1.716 122.948 121.223 0.016 0.000 2.331 297 L HA 0.561 4.901 4.340 -0.000 0.000 0.268 297 L C 0.470 177.346 176.870 0.011 0.000 1.015 297 L CA -0.980 53.868 54.840 0.013 0.000 0.807 297 L CB 1.214 43.281 42.059 0.013 0.000 1.293 297 L HN 0.225 nan 8.230 nan 0.000 0.451 298 K N -0.430 119.975 120.400 0.009 0.000 2.426 298 K HA 0.694 5.014 4.320 -0.000 0.000 0.251 298 K C -0.259 176.344 176.600 0.005 0.000 0.941 298 K CA -0.876 55.416 56.287 0.007 0.000 0.808 298 K CB 1.769 34.273 32.500 0.007 0.000 1.265 298 K HN 0.569 nan 8.250 nan 0.000 0.432 299 G N 0.273 109.076 108.800 0.005 0.000 2.664 299 G HA2 0.337 4.297 3.960 -0.000 0.000 0.242 299 G HA3 0.337 4.297 3.960 -0.000 0.000 0.242 299 G C -0.644 174.257 174.900 0.002 0.000 1.225 299 G CA 0.090 45.192 45.100 0.003 0.000 0.849 299 G HN 0.631 nan 8.290 nan 0.000 0.581 300 T N -1.463 113.091 114.554 0.001 0.000 2.762 300 T HA 0.445 4.795 4.350 -0.000 0.000 0.301 300 T C -1.424 173.275 174.700 -0.001 0.000 1.299 300 T CA -0.652 61.448 62.100 0.000 0.000 1.005 300 T CB 1.735 70.603 68.868 -0.000 0.000 1.377 300 T HN 0.605 nan 8.240 nan 0.000 0.504 301 E N 1.696 121.895 120.200 -0.000 0.000 2.166 301 E HA 0.576 4.926 4.350 -0.000 0.000 0.275 301 E C -1.044 175.556 176.600 -0.001 0.000 0.941 301 E CA -0.606 55.793 56.400 -0.001 0.000 0.784 301 E CB 0.786 30.486 29.700 0.000 0.000 1.115 301 E HN 0.514 nan 8.360 nan 0.000 0.399 302 I N 6.281 126.849 120.570 -0.002 0.000 2.420 302 I HA 0.334 4.504 4.170 -0.000 0.000 0.282 302 I C -0.194 175.922 176.117 -0.001 0.000 1.019 302 I CA -0.627 60.671 61.300 -0.003 0.000 1.130 302 I CB 0.655 38.651 38.000 -0.006 0.000 1.262 302 I HN 0.678 nan 8.210 nan 0.000 0.454 303 C N 2.775 122.075 119.300 0.001 0.000 3.276 303 C HA 0.939 5.399 4.460 -0.000 0.000 0.370 303 C C 0.967 175.960 174.990 0.005 0.000 1.624 303 C CA 0.107 59.127 59.018 0.002 0.000 1.179 303 C CB 0.823 28.564 27.740 0.001 0.000 1.909 303 C HN 1.063 nan 8.230 nan 0.000 0.434 304 G N 0.941 109.744 108.800 0.005 0.000 2.614 304 G HA2 0.084 4.044 3.960 -0.000 0.000 0.303 304 G HA3 0.084 4.044 3.960 -0.000 0.000 0.303 304 G C 1.223 176.132 174.900 0.015 0.000 1.270 304 G CA 1.928 47.033 45.100 0.009 0.000 0.988 304 G HN 2.570 nan 8.290 nan 0.000 0.551 305 A N -1.194 121.641 122.820 0.025 0.000 2.131 305 A HA 0.182 4.502 4.320 -0.000 0.000 0.220 305 A C 2.462 180.068 177.584 0.037 0.000 1.158 305 A CA 2.450 54.513 52.037 0.043 0.000 0.665 305 A CB -0.270 18.773 19.000 0.071 0.000 0.795 305 A HN 1.596 nan 8.150 nan 0.000 0.460 306 L N -0.380 120.856 121.223 0.022 0.000 2.217 306 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 306 L C 1.926 178.803 176.870 0.011 0.000 1.107 306 L CA 1.205 56.053 54.840 0.014 0.000 0.783 306 L CB -0.356 41.707 42.059 0.006 0.000 0.919 306 L HN 0.299 nan 8.230 nan 0.000 0.442 307 I N 0.797 121.374 120.570 0.011 0.000 2.118 307 I HA -0.207 3.963 4.170 -0.000 0.000 0.241 307 I C -0.042 176.082 176.117 0.012 0.000 1.070 307 I CA 1.615 62.920 61.300 0.008 0.000 1.327 307 I CB -2.847 35.157 38.000 0.007 0.000 1.034 307 I HN 0.237 nan 8.210 nan 0.000 0.405 308 P HA -0.109 nan 4.420 nan 0.000 0.220 308 P C 1.522 178.836 177.300 0.023 0.000 1.148 308 P CA 1.382 64.496 63.100 0.024 0.000 0.803 308 P CB -0.121 31.598 31.700 0.032 0.000 0.782 309 R N -0.805 119.707 120.500 0.019 0.000 2.276 309 R HA 0.081 4.421 4.340 -0.000 0.000 0.203 309 R C 0.529 176.833 176.300 0.005 0.000 1.017 309 R CA 0.840 56.948 56.100 0.012 0.000 1.010 309 R CB -0.262 30.043 30.300 0.008 0.000 0.900 309 R HN 0.261 nan 8.270 nan 0.000 0.469 310 L N -4.068 117.156 121.223 0.001 0.000 3.606 310 L HA 0.269 4.609 4.340 -0.000 0.000 0.336 310 L C 0.965 177.825 176.870 -0.016 0.000 1.300 310 L CA -0.115 54.717 54.840 -0.013 0.000 1.050 310 L CB -0.473 41.573 42.059 -0.022 0.000 1.439 310 L HN -0.207 nan 8.230 nan 0.000 0.621 311 I N 1.319 121.889 120.570 -0.001 0.000 2.185 311 I HA -0.260 3.910 4.170 -0.000 0.000 0.246 311 I C 1.530 177.642 176.117 -0.007 0.000 1.088 311 I CA 1.928 63.229 61.300 0.001 0.000 1.347 311 I CB -0.044 37.965 38.000 0.016 0.000 1.041 311 I HN 0.369 nan 8.210 nan 0.000 0.415 312 D N -0.171 120.224 120.400 -0.007 0.000 2.347 312 D HA -0.053 4.587 4.640 -0.000 0.000 0.213 312 D C 1.694 177.944 176.300 -0.084 0.000 0.985 312 D CA 0.479 54.466 54.000 -0.022 0.000 0.879 312 D CB 0.010 40.819 40.800 0.015 0.000 0.919 312 D HN 0.421 nan 8.370 nan 0.000 0.526 313 E N -0.145 119.998 120.200 -0.096 0.000 2.479 313 E HA 0.143 4.493 4.350 -0.000 0.000 0.193 313 E C 1.911 178.440 176.600 -0.119 0.000 1.049 313 E CA -0.101 56.205 56.400 -0.157 0.000 0.870 313 E CB 0.036 29.649 29.700 -0.145 0.000 0.944 313 E HN 0.238 nan 8.360 nan 0.000 0.492 314 L N 0.645 121.824 121.223 -0.074 0.000 2.131 314 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 314 L C -0.735 176.105 176.870 -0.050 0.000 1.092 314 L CA 1.181 55.990 54.840 -0.051 0.000 0.759 314 L CB -1.121 40.920 42.059 -0.030 0.000 0.903 314 L HN 0.159 nan 8.230 nan 0.000 0.435 315 P HA -0.153 nan 4.420 nan 0.000 0.216 315 P C 1.645 178.924 177.300 -0.036 0.000 1.153 315 P CA 1.226 64.305 63.100 -0.035 0.000 0.844 315 P CB -0.026 31.657 31.700 -0.028 0.000 0.787 316 I N -3.876 116.647 120.570 -0.078 0.000 2.439 316 I HA -0.066 4.104 4.170 -0.000 0.000 0.251 316 I C 2.079 178.156 176.117 -0.068 0.000 1.139 316 I CA 1.451 62.704 61.300 -0.078 0.000 1.438 316 I CB -1.391 36.477 38.000 -0.221 0.000 1.085 316 I HN -0.169 nan 8.210 nan 0.000 0.427 317 I N 1.454 121.978 120.570 -0.077 0.000 2.394 317 I HA -0.197 3.973 4.170 -0.000 0.000 0.251 317 I C 2.765 178.864 176.117 -0.030 0.000 1.136 317 I CA 1.149 62.419 61.300 -0.052 0.000 1.425 317 I CB -0.438 37.532 38.000 -0.051 0.000 1.079 317 I HN 0.367 nan 8.210 nan 0.000 0.425 318 A N 0.749 123.552 122.820 -0.027 0.000 1.902 318 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 318 A C 2.374 179.951 177.584 -0.011 0.000 1.181 318 A CA 1.247 53.274 52.037 -0.016 0.000 0.623 318 A CB -0.707 18.285 19.000 -0.013 0.000 0.818 318 A HN 0.434 nan 8.150 nan 0.000 0.443 319 L N -0.629 120.588 121.223 -0.010 0.000 2.056 319 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 319 L C 2.443 179.312 176.870 -0.001 0.000 1.078 319 L CA 1.360 56.199 54.840 -0.003 0.000 0.749 319 L CB -0.325 41.739 42.059 0.007 0.000 0.901 319 L HN 0.473 nan 8.230 nan 0.000 0.433 320 L N -0.042 121.179 121.223 -0.004 0.000 1.970 320 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 320 L C 2.743 179.614 176.870 0.000 0.000 1.071 320 L CA 1.897 56.737 54.840 -0.001 0.000 0.751 320 L CB -0.595 41.458 42.059 -0.009 0.000 0.889 320 L HN 0.352 nan 8.230 nan 0.000 0.432 321 A N -1.233 121.585 122.820 -0.004 0.000 1.940 321 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 321 A C 2.198 179.782 177.584 -0.000 0.000 1.176 321 A CA 2.383 54.418 52.037 -0.002 0.000 0.631 321 A CB -1.087 17.910 19.000 -0.005 0.000 0.814 321 A HN 0.492 nan 8.150 nan 0.000 0.446 322 T N -0.380 114.172 114.554 -0.002 0.000 2.778 322 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 322 T C 1.767 176.467 174.700 0.001 0.000 1.050 322 T CA 1.727 63.825 62.100 -0.003 0.000 1.137 322 T CB -0.225 68.638 68.868 -0.008 0.000 0.860 322 T HN 0.485 nan 8.240 nan 0.000 0.468 323 Q N -0.271 119.531 119.800 0.004 0.000 2.360 323 Q HA 0.393 4.733 4.340 -0.000 0.000 0.202 323 Q C 0.614 176.621 176.000 0.011 0.000 0.915 323 Q CA -0.056 55.752 55.803 0.009 0.000 0.943 323 Q CB 0.200 28.947 28.738 0.014 0.000 1.064 323 Q HN 0.507 nan 8.270 nan 0.000 0.511 324 A N 0.995 123.820 122.820 0.008 0.000 2.293 324 A HA 0.379 4.699 4.320 -0.000 0.000 0.302 324 A C 0.087 177.676 177.584 0.008 0.000 1.119 324 A CA -0.491 51.551 52.037 0.009 0.000 0.823 324 A CB 0.686 19.690 19.000 0.007 0.000 1.097 324 A HN -0.030 nan 8.150 nan 0.000 0.491 325 Q N 0.500 120.305 119.800 0.009 0.000 2.296 325 Q HA 0.479 4.819 4.340 -0.000 0.000 0.262 325 Q C 0.675 176.679 176.000 0.007 0.000 0.981 325 Q CA 1.342 57.150 55.803 0.009 0.000 0.905 325 Q CB 0.915 29.658 28.738 0.009 0.000 1.186 325 Q HN 1.649 nan 8.270 nan 0.000 0.399 326 G N 0.794 109.598 108.800 0.007 0.000 2.610 326 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.304 326 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.304 326 G C -0.886 174.017 174.900 0.005 0.000 1.309 326 G CA -0.621 44.483 45.100 0.006 0.000 0.906 326 G HN 0.454 nan 8.290 nan 0.000 0.521 327 V N 0.955 120.872 119.914 0.004 0.000 2.567 327 V HA 0.707 4.827 4.120 -0.000 0.000 0.289 327 V C 0.880 176.976 176.094 0.002 0.000 1.049 327 V CA 0.445 62.747 62.300 0.003 0.000 0.969 327 V CB 1.308 33.133 31.823 0.003 0.000 0.995 327 V HN 1.458 nan 8.190 nan 0.000 0.471 328 T N 1.365 115.920 114.554 0.001 0.000 2.812 328 T HA 0.729 5.079 4.350 -0.000 0.000 0.282 328 T C -0.805 173.894 174.700 -0.001 0.000 0.990 328 T CA -0.681 61.419 62.100 -0.000 0.000 0.960 328 T CB 1.478 70.345 68.868 -0.002 0.000 0.948 328 T HN 0.294 nan 8.240 nan 0.000 0.438 329 V N 4.378 124.292 119.914 -0.001 0.000 2.417 329 V HA 0.533 4.653 4.120 -0.000 0.000 0.291 329 V C -0.251 175.842 176.094 -0.002 0.000 1.024 329 V CA -0.869 61.430 62.300 -0.001 0.000 0.861 329 V CB 1.374 33.197 31.823 -0.000 0.000 0.985 329 V HN 0.891 nan 8.190 nan 0.000 0.436 330 I N 6.056 126.624 120.570 -0.003 0.000 2.418 330 I HA 0.562 4.732 4.170 -0.000 0.000 0.287 330 I C -0.197 175.919 176.117 -0.002 0.000 1.008 330 I CA -0.427 60.871 61.300 -0.003 0.000 1.104 330 I CB 1.564 39.561 38.000 -0.005 0.000 1.264 330 I HN 0.744 nan 8.210 nan 0.000 0.438 331 K N 3.590 123.989 120.400 -0.002 0.000 2.495 331 K HA 0.559 4.879 4.320 -0.000 0.000 0.268 331 K C -0.878 175.721 176.600 -0.001 0.000 1.008 331 K CA -0.783 55.503 56.287 -0.001 0.000 0.882 331 K CB 1.696 34.195 32.500 -0.001 0.000 1.443 331 K HN 0.348 nan 8.250 nan 0.000 0.447 332 D N -1.055 119.344 120.400 -0.001 0.000 3.041 332 D HA -0.171 4.469 4.640 -0.000 0.000 0.220 332 D C -0.203 176.096 176.300 -0.000 0.000 1.157 332 D CA 1.470 55.469 54.000 -0.001 0.000 0.876 332 D CB -1.398 39.401 40.800 -0.001 0.000 1.107 332 D HN 0.697 nan 8.370 nan 0.000 0.422 333 A N 0.589 123.409 122.820 -0.001 0.000 2.793 333 A HA 0.200 4.520 4.320 -0.000 0.000 0.301 333 A C 1.699 179.284 177.584 0.001 0.000 1.172 333 A CA -0.101 51.936 52.037 0.000 0.000 0.973 333 A CB 0.264 19.263 19.000 -0.001 0.000 1.164 333 A HN 0.165 nan 8.150 nan 0.000 0.542 334 E N 0.520 120.720 120.200 0.001 0.000 2.265 334 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 334 E C 0.568 177.170 176.600 0.003 0.000 0.996 334 E CA 0.865 57.266 56.400 0.001 0.000 0.832 334 E CB -0.177 29.523 29.700 -0.000 0.000 0.756 334 E HN 0.561 nan 8.360 nan 0.000 0.491 335 E N 1.008 121.211 120.200 0.005 0.000 2.265 335 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 335 E C 2.258 178.864 176.600 0.011 0.000 0.996 335 E CA 0.402 56.808 56.400 0.009 0.000 0.832 335 E CB -0.210 29.497 29.700 0.012 0.000 0.756 335 E HN 0.424 nan 8.360 nan 0.000 0.491 336 L N 0.485 121.713 121.223 0.008 0.000 2.191 336 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 336 L C 2.240 179.115 176.870 0.008 0.000 1.103 336 L CA 1.124 55.968 54.840 0.008 0.000 0.769 336 L CB -0.296 41.765 42.059 0.003 0.000 0.908 336 L HN 0.028 nan 8.230 nan 0.000 0.438 337 K N -0.650 119.753 120.400 0.004 0.000 2.362 337 K HA -0.093 4.227 4.320 -0.000 0.000 0.200 337 K C 1.553 178.155 176.600 0.002 0.000 1.046 337 K CA 0.758 57.045 56.287 0.000 0.000 0.952 337 K CB 0.026 32.524 32.500 -0.003 0.000 0.753 337 K HN 0.152 nan 8.250 nan 0.000 0.466 338 V N 1.101 121.020 119.914 0.008 0.000 3.271 338 V HA 0.050 4.170 4.120 -0.000 0.000 0.327 338 V C 0.070 176.176 176.094 0.020 0.000 1.389 338 V CA 0.004 62.311 62.300 0.011 0.000 1.156 338 V CB -0.280 31.549 31.823 0.011 0.000 1.103 338 V HN 0.086 nan 8.190 nan 0.000 0.453 339 K N 0.175 120.591 120.400 0.026 0.000 2.761 339 K HA 0.284 4.604 4.320 -0.000 0.000 0.286 339 K C 1.290 177.921 176.600 0.052 0.000 1.019 339 K CA -0.188 56.125 56.287 0.044 0.000 1.070 339 K CB 0.182 32.711 32.500 0.048 0.000 1.387 339 K HN 0.064 nan 8.250 nan 0.000 0.509 340 E N 0.458 120.707 120.200 0.082 0.000 2.187 340 E HA -0.157 4.193 4.350 -0.000 0.000 0.199 340 E C 0.472 177.118 176.600 0.077 0.000 1.004 340 E CA 1.722 58.179 56.400 0.095 0.000 0.813 340 E CB -0.094 29.701 29.700 0.158 0.000 0.736 340 E HN 0.713 nan 8.360 nan 0.000 0.468 341 T N -3.224 111.368 114.554 0.063 0.000 2.812 341 T HA 0.215 4.565 4.350 -0.000 0.000 0.294 341 T C -0.924 173.786 174.700 0.017 0.000 1.159 341 T CA -1.053 61.071 62.100 0.039 0.000 1.008 341 T CB 1.455 70.373 68.868 0.082 0.000 1.289 341 T HN -0.164 nan 8.240 nan 0.000 0.514 342 D N 0.162 120.556 120.400 -0.010 0.000 2.416 342 D HA 0.159 4.799 4.640 -0.000 0.000 0.240 342 D C 1.036 177.338 176.300 0.005 0.000 1.250 342 D CA -0.307 53.687 54.000 -0.011 0.000 0.967 342 D CB 0.400 41.181 40.800 -0.031 0.000 1.059 342 D HN 0.472 nan 8.370 nan 0.000 0.512 343 R N 2.685 123.192 120.500 0.013 0.000 2.293 343 R HA -0.030 4.310 4.340 -0.000 0.000 0.219 343 R C 1.706 178.012 176.300 0.010 0.000 1.091 343 R CA 0.594 56.703 56.100 0.015 0.000 1.004 343 R CB 0.307 30.613 30.300 0.009 0.000 0.865 343 R HN 0.543 nan 8.270 nan 0.000 0.469 344 I N -0.362 120.212 120.570 0.006 0.000 2.270 344 I HA -0.211 3.959 4.170 -0.000 0.000 0.239 344 I C 2.456 178.577 176.117 0.007 0.000 1.080 344 I CA 0.885 62.187 61.300 0.004 0.000 1.383 344 I CB -0.080 37.921 38.000 0.000 0.000 1.097 344 I HN 0.054 nan 8.210 nan 0.000 0.420 345 Q N 0.831 120.634 119.800 0.004 0.000 2.050 345 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 345 Q C 2.081 178.096 176.000 0.025 0.000 0.980 345 Q CA 1.972 57.778 55.803 0.006 0.000 0.840 345 Q CB -0.351 28.380 28.738 -0.012 0.000 0.898 345 Q HN 0.313 nan 8.270 nan 0.000 0.424 346 V N -0.539 119.397 119.914 0.036 0.000 2.427 346 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 346 V C 2.204 178.344 176.094 0.077 0.000 1.051 346 V CA 1.455 63.810 62.300 0.092 0.000 1.048 346 V CB -0.437 31.470 31.823 0.140 0.000 0.666 346 V HN 0.213 nan 8.190 nan 0.000 0.456 347 V N 0.115 120.055 119.914 0.044 0.000 2.379 347 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 347 V C 2.672 178.779 176.094 0.021 0.000 1.044 347 V CA 1.787 64.103 62.300 0.027 0.000 1.036 347 V CB -0.859 30.971 31.823 0.012 0.000 0.664 347 V HN 0.543 nan 8.190 nan 0.000 0.453 348 A N 0.085 122.917 122.820 0.020 0.000 1.877 348 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 348 A C 1.985 179.582 177.584 0.022 0.000 1.186 348 A CA 2.130 54.176 52.037 0.016 0.000 0.620 348 A CB -0.667 18.341 19.000 0.014 0.000 0.822 348 A HN 0.531 nan 8.150 nan 0.000 0.443 349 D N 0.059 120.481 120.400 0.036 0.000 2.097 349 D HA -0.041 4.599 4.640 -0.000 0.000 0.195 349 D C 2.268 178.595 176.300 0.044 0.000 0.989 349 D CA 1.584 55.612 54.000 0.047 0.000 0.827 349 D CB -0.548 40.296 40.800 0.073 0.000 0.966 349 D HN 0.415 nan 8.370 nan 0.000 0.456 350 A N 0.846 123.694 122.820 0.046 0.000 1.845 350 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 350 A C 2.415 179.999 177.584 -0.001 0.000 1.195 350 A CA 1.114 53.166 52.037 0.025 0.000 0.616 350 A CB -0.922 18.091 19.000 0.022 0.000 0.832 350 A HN 0.205 nan 8.150 nan 0.000 0.443 351 L N -0.432 120.787 121.223 -0.006 0.000 2.093 351 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 351 L C 2.331 179.178 176.870 -0.039 0.000 1.085 351 L CA 1.098 55.922 54.840 -0.027 0.000 0.755 351 L CB -0.714 41.333 42.059 -0.019 0.000 0.904 351 L HN 0.378 nan 8.230 nan 0.000 0.435 352 N N 0.105 118.797 118.700 -0.013 0.000 2.120 352 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 352 N C 2.063 177.571 175.510 -0.003 0.000 1.024 352 N CA 1.766 54.813 53.050 -0.006 0.000 0.852 352 N CB -0.270 38.226 38.487 0.015 0.000 1.003 352 N HN 0.354 nan 8.380 nan 0.000 0.424 353 S N -0.325 115.381 115.700 0.009 0.000 2.500 353 S HA -0.006 4.464 4.470 -0.000 0.000 0.239 353 S C 1.577 176.175 174.600 -0.004 0.000 0.989 353 S CA 0.623 58.849 58.200 0.044 0.000 0.951 353 S CB -0.181 63.048 63.200 0.048 0.000 0.759 353 S HN 0.265 nan 8.310 nan 0.000 0.523 354 M N 0.459 119.961 119.600 -0.163 0.000 2.356 354 M HA 0.344 4.824 4.480 -0.000 0.000 0.262 354 M C 1.228 177.052 176.300 -0.792 0.000 1.097 354 M CA 0.457 55.495 55.300 -0.436 0.000 0.991 354 M CB 1.089 33.562 32.600 -0.211 0.000 1.450 354 M HN 0.589 nan 8.290 nan 0.000 0.495 355 G N -0.015 108.485 108.800 -0.500 0.000 2.834 355 G HA2 0.147 4.107 3.960 -0.000 0.000 0.217 355 G HA3 0.147 4.107 3.960 -0.000 0.000 0.217 355 G C 0.390 175.251 174.900 -0.066 0.000 0.974 355 G CA -0.175 44.767 45.100 -0.263 0.000 0.826 355 G HN 0.596 nan 8.290 nan 0.000 0.584 356 A N 0.127 122.914 122.820 -0.055 0.000 5.900 356 A HA 0.142 4.462 4.320 -0.000 0.000 0.602 356 A C 0.967 178.549 177.584 -0.004 0.000 1.731 356 A CA 2.329 54.359 52.037 -0.012 0.000 1.919 356 A CB -0.892 18.119 19.000 0.019 0.000 1.470 356 A HN 1.926 nan 8.150 nan 0.000 0.703 357 D N -3.035 117.368 120.400 0.006 0.000 2.892 357 D HA -0.099 4.541 4.640 -0.000 0.000 0.224 357 D C -0.680 175.623 176.300 0.004 0.000 1.057 357 D CA 1.257 55.261 54.000 0.007 0.000 0.779 357 D CB -1.477 39.328 40.800 0.008 0.000 1.069 357 D HN 0.850 nan 8.370 nan 0.000 0.441 358 I N 0.507 121.080 120.570 0.005 0.000 2.466 358 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 358 I C 0.170 176.291 176.117 0.006 0.000 1.026 358 I CA -0.514 60.788 61.300 0.003 0.000 1.078 358 I CB 2.254 40.255 38.000 0.002 0.000 1.249 358 I HN -0.193 nan 8.210 nan 0.000 0.429 359 T N 7.204 121.761 114.554 0.005 0.000 2.788 359 T HA 0.360 4.710 4.350 -0.000 0.000 0.296 359 T C -2.488 172.214 174.700 0.004 0.000 1.009 359 T CA -1.296 60.807 62.100 0.005 0.000 0.949 359 T CB 1.193 70.064 68.868 0.005 0.000 0.946 359 T HN 0.333 nan 8.240 nan 0.000 0.453 360 P HA 0.296 nan 4.420 nan 0.000 0.275 360 P C -0.300 177.001 177.300 0.002 0.000 1.228 360 P CA -0.276 62.826 63.100 0.003 0.000 0.786 360 P CB 0.926 32.628 31.700 0.004 0.000 0.927 361 T N -2.546 112.009 114.554 0.000 0.000 2.864 361 T HA 0.580 4.930 4.350 -0.000 0.000 0.289 361 T C 1.170 175.869 174.700 -0.001 0.000 1.082 361 T CA -0.367 61.733 62.100 -0.000 0.000 1.009 361 T CB 1.023 69.891 68.868 -0.000 0.000 1.234 361 T HN 0.228 nan 8.240 nan 0.000 0.526 362 A N 0.448 123.267 122.820 -0.002 0.000 2.121 362 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 362 A C 1.381 178.964 177.584 -0.002 0.000 1.154 362 A CA 1.626 53.661 52.037 -0.002 0.000 0.679 362 A CB -0.766 18.233 19.000 -0.003 0.000 0.795 362 A HN 0.932 nan 8.150 nan 0.000 0.458 363 D N -3.326 117.073 120.400 -0.002 0.000 2.620 363 D HA 0.418 5.058 4.640 -0.000 0.000 0.260 363 D C 0.533 176.833 176.300 -0.001 0.000 1.367 363 D CA 0.753 54.752 54.000 -0.002 0.000 0.805 363 D CB -0.145 40.654 40.800 -0.002 0.000 1.096 363 D HN 0.460 nan 8.370 nan 0.000 0.488 364 G N 0.287 109.086 108.800 -0.001 0.000 2.564 364 G HA2 0.424 4.384 3.960 -0.000 0.000 0.139 364 G HA3 0.424 4.384 3.960 -0.000 0.000 0.139 364 G C -1.433 173.467 174.900 -0.001 0.000 1.147 364 G CA -0.117 44.982 45.100 -0.002 0.000 1.031 364 G HN 0.437 nan 8.290 nan 0.000 0.482 365 M N -0.994 118.606 119.600 -0.001 0.000 2.643 365 M HA 0.723 5.203 4.480 -0.000 0.000 0.276 365 M C -2.003 174.297 176.300 -0.000 0.000 1.200 365 M CA -1.039 54.261 55.300 -0.000 0.000 0.863 365 M CB 2.175 34.775 32.600 -0.000 0.000 1.711 365 M HN 0.381 nan 8.290 nan 0.000 0.492 366 I N 3.277 123.847 120.570 0.001 0.000 2.355 366 I HA 0.531 4.701 4.170 -0.000 0.000 0.288 366 I C -0.809 175.309 176.117 0.001 0.000 0.999 366 I CA -0.667 60.633 61.300 0.001 0.000 1.163 366 I CB 1.266 39.267 38.000 0.002 0.000 1.316 366 I HN 0.715 nan 8.210 nan 0.000 0.454 367 I N 6.214 126.785 120.570 0.000 0.000 2.378 367 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 367 I C -0.260 175.858 176.117 0.002 0.000 0.992 367 I CA -0.815 60.485 61.300 0.000 0.000 1.154 367 I CB 1.574 39.573 38.000 -0.002 0.000 1.315 367 I HN 0.364 nan 8.210 nan 0.000 0.448 368 K N 3.683 124.084 120.400 0.003 0.000 2.259 368 K HA 0.720 5.040 4.320 -0.000 0.000 0.249 368 K C 0.236 176.839 176.600 0.005 0.000 0.942 368 K CA -0.354 55.936 56.287 0.004 0.000 0.816 368 K CB 1.652 34.156 32.500 0.006 0.000 1.155 368 K HN 0.758 nan 8.250 nan 0.000 0.428 369 G N 1.551 110.355 108.800 0.006 0.000 2.680 369 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.652 369 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.652 369 G C -0.658 174.246 174.900 0.007 0.000 1.344 369 G CA -0.193 44.911 45.100 0.007 0.000 0.923 369 G HN 0.623 nan 8.290 nan 0.000 0.547 370 K N 0.006 120.412 120.400 0.009 0.000 2.258 370 K HA 0.484 4.804 4.320 -0.000 0.000 0.284 370 K C -0.177 176.429 176.600 0.009 0.000 1.051 370 K CA -0.119 56.173 56.287 0.009 0.000 0.923 370 K CB 0.247 32.754 32.500 0.012 0.000 1.046 370 K HN 0.466 nan 8.250 nan 0.000 0.474 371 S N 2.106 117.809 115.700 0.005 0.000 2.472 371 S HA 0.497 4.967 4.470 -0.000 0.000 0.303 371 S C -0.837 173.765 174.600 0.003 0.000 1.099 371 S CA -0.944 57.258 58.200 0.004 0.000 1.077 371 S CB 1.835 65.030 63.200 -0.008 0.000 1.031 371 S HN 0.711 nan 8.310 nan 0.000 0.487 372 A N 3.579 126.407 122.820 0.014 0.000 2.309 372 A HA 0.598 4.918 4.320 -0.000 0.000 0.290 372 A C -0.154 177.433 177.584 0.006 0.000 1.206 372 A CA -0.545 51.504 52.037 0.020 0.000 0.850 372 A CB -0.156 18.866 19.000 0.037 0.000 1.118 372 A HN 0.831 nan 8.150 nan 0.000 0.523 373 L N 2.980 124.192 121.223 -0.018 0.000 2.399 373 L HA 0.537 4.877 4.340 -0.000 0.000 0.266 373 L C 0.435 177.289 176.870 -0.027 0.000 1.114 373 L CA -0.685 54.102 54.840 -0.087 0.000 0.804 373 L CB 1.043 43.052 42.059 -0.083 0.000 1.146 373 L HN 1.015 nan 8.230 nan 0.000 0.451 374 H N -0.371 118.705 119.070 0.011 0.000 2.908 374 H HA 0.671 5.227 4.556 -0.000 0.000 0.350 374 H C -0.001 175.331 175.328 0.007 0.000 1.217 374 H CA -0.830 55.224 56.048 0.009 0.000 1.168 374 H CB 0.514 30.281 29.762 0.008 0.000 1.891 374 H HN 0.588 nan 8.280 nan 0.000 0.566 375 G N -0.536 108.419 108.800 0.258 0.000 2.647 375 G HA2 0.446 4.406 3.960 -0.000 0.000 0.234 375 G HA3 0.446 4.406 3.960 -0.000 0.000 0.234 375 G C -0.467 174.553 174.900 0.200 0.000 1.252 375 G CA 0.361 45.558 45.100 0.162 0.000 0.846 375 G HN 1.142 nan 8.290 nan 0.000 0.589 376 A N 0.995 123.872 122.820 0.094 0.000 2.522 376 A HA 0.712 5.032 4.320 -0.000 0.000 0.291 376 A C -0.999 176.602 177.584 0.028 0.000 1.039 376 A CA -0.892 51.188 52.037 0.072 0.000 0.643 376 A CB 1.089 20.129 19.000 0.066 0.000 1.310 376 A HN 0.696 nan 8.150 nan 0.000 0.436 377 R N 0.135 120.644 120.500 0.014 0.000 2.445 377 R HA 0.712 5.052 4.340 -0.000 0.000 0.308 377 R C -1.194 175.088 176.300 -0.031 0.000 0.961 377 R CA -0.644 55.449 56.100 -0.012 0.000 0.862 377 R CB 1.047 31.339 30.300 -0.014 0.000 1.144 377 R HN 0.571 nan 8.270 nan 0.000 0.447 378 V N 2.448 122.326 119.914 -0.059 0.000 2.656 378 V HA 0.371 4.491 4.120 -0.000 0.000 0.307 378 V C -0.325 175.660 176.094 -0.182 0.000 1.051 378 V CA -0.993 61.248 62.300 -0.098 0.000 0.893 378 V CB 2.461 34.245 31.823 -0.067 0.000 0.999 378 V HN 0.723 nan 8.190 nan 0.000 0.426 379 N N 1.707 120.199 118.700 -0.347 0.000 2.400 379 N HA 0.350 5.090 4.740 -0.000 0.000 0.288 379 N C 0.881 176.030 175.510 -0.601 0.000 1.024 379 N CA -0.296 52.418 53.050 -0.559 0.000 0.894 379 N CB 1.938 39.852 38.487 -0.956 0.000 1.173 379 N HN 0.647 nan 8.380 nan 0.000 0.487 380 T N 2.779 117.132 114.554 -0.336 0.000 2.995 380 T HA -0.012 4.338 4.350 -0.000 0.000 0.269 380 T C 0.174 174.867 174.700 -0.011 0.000 1.091 380 T CA 0.533 62.546 62.100 -0.145 0.000 1.128 380 T CB -0.570 68.260 68.868 -0.064 0.000 0.891 380 T HN 0.692 nan 8.240 nan 0.000 0.492 381 F N 0.209 120.168 119.950 0.015 0.000 3.084 381 F HA -0.239 4.288 4.527 -0.000 0.000 0.286 381 F C 1.332 177.149 175.800 0.027 0.000 0.855 381 F CA 0.258 58.269 58.000 0.019 0.000 1.091 381 F CB -2.120 36.889 39.000 0.016 0.000 1.177 381 F HN 0.378 nan 8.300 nan 0.000 0.542 382 G N 0.208 109.099 108.800 0.152 0.000 2.136 382 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.242 382 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.242 382 G C -0.418 174.563 174.900 0.136 0.000 0.989 382 G CA 0.143 45.315 45.100 0.120 0.000 0.682 382 G HN 0.567 nan 8.290 nan 0.000 0.522 383 D N 0.184 120.670 120.400 0.145 0.000 2.453 383 D HA 0.355 4.995 4.640 -0.000 0.000 0.238 383 D C 1.830 178.215 176.300 0.140 0.000 1.088 383 D CA -0.327 53.781 54.000 0.180 0.000 0.854 383 D CB 0.237 41.114 40.800 0.128 0.000 1.076 383 D HN 0.347 nan 8.370 nan 0.000 0.533 384 H N 4.487 123.547 119.070 -0.016 0.000 2.321 384 H HA -0.164 4.392 4.556 -0.000 0.000 0.295 384 H C 1.049 176.290 175.328 -0.144 0.000 1.102 384 H CA 1.225 57.224 56.048 -0.083 0.000 1.266 384 H CB -0.249 29.482 29.762 -0.052 0.000 1.363 384 H HN 0.393 nan 8.280 nan 0.000 0.492 385 R N 0.063 120.220 120.500 -0.570 0.000 2.189 385 R HA 0.012 4.352 4.340 -0.000 0.000 0.223 385 R C 2.377 178.580 176.300 -0.162 0.000 1.092 385 R CA 0.784 56.699 56.100 -0.309 0.000 0.989 385 R CB 0.106 30.256 30.300 -0.250 0.000 0.876 385 R HN 0.295 nan 8.270 nan 0.000 0.457 386 I N 0.137 120.631 120.570 -0.128 0.000 2.315 386 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 386 I C 2.419 178.462 176.117 -0.123 0.000 1.117 386 I CA 1.363 62.620 61.300 -0.071 0.000 1.404 386 I CB -1.534 36.459 38.000 -0.011 0.000 1.071 386 I HN 0.203 nan 8.210 nan 0.000 0.419 387 G N 0.594 109.290 108.800 -0.174 0.000 2.414 387 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 387 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 387 G C 1.744 176.415 174.900 -0.383 0.000 1.188 387 G CA 0.451 45.424 45.100 -0.211 0.000 0.783 387 G HN 0.251 nan 8.290 nan 0.000 0.537 388 M N -0.045 119.117 119.600 -0.729 0.000 2.229 388 M HA 0.126 4.606 4.480 -0.000 0.000 0.264 388 M C 2.549 178.490 176.300 -0.598 0.000 1.063 388 M CA 1.014 55.556 55.300 -1.264 0.000 1.114 388 M CB -0.226 30.889 32.600 -2.476 0.000 1.387 388 M HN 0.319 nan 8.290 nan 0.000 0.420 389 M N -0.099 119.356 119.600 -0.242 0.000 2.117 389 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 389 M C 1.677 177.957 176.300 -0.032 0.000 1.065 389 M CA 1.700 56.998 55.300 -0.002 0.000 1.114 389 M CB -0.205 32.413 32.600 0.031 0.000 1.361 389 M HN 0.135 nan 8.290 nan 0.000 0.408 390 T N 1.055 115.569 114.554 -0.067 0.000 2.821 390 T HA 0.005 4.355 4.350 -0.000 0.000 0.267 390 T C 1.826 176.532 174.700 0.010 0.000 1.046 390 T CA 1.333 63.417 62.100 -0.028 0.000 1.139 390 T CB -0.408 68.440 68.868 -0.034 0.000 0.871 390 T HN 0.594 nan 8.240 nan 0.000 0.454 391 A N 1.358 124.186 122.820 0.013 0.000 1.902 391 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 391 A C 2.285 179.950 177.584 0.136 0.000 1.181 391 A CA 1.204 53.328 52.037 0.145 0.000 0.623 391 A CB -0.728 18.454 19.000 0.304 0.000 0.818 391 A HN 0.570 nan 8.150 nan 0.000 0.443 392 I N -0.867 119.761 120.570 0.097 0.000 2.353 392 I HA -0.138 4.032 4.170 -0.000 0.000 0.248 392 I C 2.509 178.669 176.117 0.072 0.000 1.119 392 I CA 1.301 62.663 61.300 0.103 0.000 1.417 392 I CB -0.220 37.838 38.000 0.096 0.000 1.078 392 I HN 0.310 nan 8.210 nan 0.000 0.421 393 A N 1.076 123.924 122.820 0.046 0.000 1.933 393 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 393 A C 2.497 180.096 177.584 0.024 0.000 1.175 393 A CA 1.687 53.738 52.037 0.024 0.000 0.628 393 A CB -1.008 17.994 19.000 0.003 0.000 0.814 393 A HN 0.583 nan 8.150 nan 0.000 0.444 394 A N -0.065 122.776 122.820 0.035 0.000 1.978 394 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 394 A C 2.080 179.685 177.584 0.035 0.000 1.170 394 A CA 1.493 53.551 52.037 0.035 0.000 0.636 394 A CB -0.663 18.367 19.000 0.050 0.000 0.810 394 A HN 0.511 nan 8.150 nan 0.000 0.448 395 L N -1.321 119.930 121.223 0.047 0.000 2.187 395 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 395 L C 1.833 178.717 176.870 0.023 0.000 1.100 395 L CA 0.640 55.501 54.840 0.036 0.000 0.765 395 L CB -0.474 41.618 42.059 0.055 0.000 0.904 395 L HN 0.282 nan 8.230 nan 0.000 0.437 396 L N -1.048 120.190 121.223 0.025 0.000 2.558 396 L HA 0.062 4.402 4.340 -0.000 0.000 0.225 396 L C 0.629 177.509 176.870 0.016 0.000 1.128 396 L CA 0.492 55.344 54.840 0.019 0.000 0.868 396 L CB -0.158 41.912 42.059 0.019 0.000 1.006 396 L HN -0.114 nan 8.230 nan 0.000 0.454 397 V N 0.761 120.685 119.914 0.017 0.000 2.415 397 V HA 0.125 4.245 4.120 -0.000 0.000 0.267 397 V C 1.518 177.627 176.094 0.026 0.000 1.042 397 V CA 0.439 62.754 62.300 0.025 0.000 1.000 397 V CB 0.404 32.245 31.823 0.030 0.000 1.015 397 V HN 0.344 nan 8.190 nan 0.000 0.478 398 A N 4.001 126.840 122.820 0.030 0.000 1.929 398 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 398 A C 0.986 178.585 177.584 0.025 0.000 1.176 398 A CA 1.067 53.119 52.037 0.025 0.000 0.628 398 A CB -0.009 19.006 19.000 0.026 0.000 0.816 398 A HN 0.734 nan 8.150 nan 0.000 0.444 399 D N -1.988 118.433 120.400 0.035 0.000 2.479 399 D HA 0.503 5.143 4.640 -0.000 0.000 0.246 399 D C -0.270 176.053 176.300 0.038 0.000 1.336 399 D CA 1.018 55.035 54.000 0.029 0.000 0.967 399 D CB 0.806 41.620 40.800 0.024 0.000 1.275 399 D HN 0.616 nan 8.370 nan 0.000 0.577 400 G N 2.197 111.015 108.800 0.030 0.000 2.368 400 G HA2 0.339 4.299 3.960 -0.000 0.000 0.302 400 G HA3 0.339 4.299 3.960 -0.000 0.000 0.302 400 G C -1.475 173.442 174.900 0.029 0.000 1.329 400 G CA -0.888 44.233 45.100 0.034 0.000 0.935 400 G HN 0.271 nan 8.290 nan 0.000 0.590 401 E N -1.574 118.643 120.200 0.028 0.000 2.277 401 E HA 0.672 5.022 4.350 -0.000 0.000 0.266 401 E C -0.771 175.843 176.600 0.024 0.000 0.901 401 E CA -0.797 55.614 56.400 0.018 0.000 0.782 401 E CB 2.800 32.504 29.700 0.007 0.000 1.228 401 E HN 1.062 nan 8.360 nan 0.000 0.424 402 V N 1.432 121.354 119.914 0.014 0.000 2.443 402 V HA 0.355 4.475 4.120 -0.000 0.000 0.293 402 V C -1.107 174.985 176.094 -0.003 0.000 1.021 402 V CA -0.490 61.817 62.300 0.011 0.000 0.848 402 V CB 1.453 33.285 31.823 0.016 0.000 0.998 402 V HN 0.700 nan 8.190 nan 0.000 0.424 403 E N 6.139 126.333 120.200 -0.010 0.000 2.174 403 E HA 0.397 4.747 4.350 -0.000 0.000 0.282 403 E C -1.442 175.138 176.600 -0.033 0.000 0.992 403 E CA -0.623 55.763 56.400 -0.024 0.000 0.803 403 E CB 1.622 31.308 29.700 -0.024 0.000 1.090 403 E HN 0.744 nan 8.360 nan 0.000 0.396 404 L N 5.616 126.817 121.223 -0.036 0.000 2.318 404 L HA 0.360 4.700 4.340 -0.000 0.000 0.277 404 L C -0.992 175.845 176.870 -0.054 0.000 1.008 404 L CA -0.620 54.196 54.840 -0.041 0.000 0.846 404 L CB 1.121 43.179 42.059 -0.002 0.000 1.220 404 L HN 0.623 nan 8.230 nan 0.000 0.423 405 D N 4.385 124.734 120.400 -0.085 0.000 2.283 405 D HA 0.181 4.821 4.640 -0.000 0.000 0.248 405 D C 0.506 176.752 176.300 -0.090 0.000 1.072 405 D CA -0.230 53.718 54.000 -0.087 0.000 0.929 405 D CB 1.415 42.151 40.800 -0.107 0.000 1.182 405 D HN 0.416 nan 8.370 nan 0.000 0.433 406 R N 0.836 121.303 120.500 -0.056 0.000 3.336 406 R HA -0.275 4.065 4.340 -0.000 0.000 0.260 406 R C 0.446 176.737 176.300 -0.015 0.000 1.032 406 R CA 0.490 56.570 56.100 -0.033 0.000 0.693 406 R CB -1.437 28.835 30.300 -0.046 0.000 1.134 406 R HN 0.537 nan 8.270 nan 0.000 0.433 407 A N 1.065 123.888 122.820 0.004 0.000 2.066 407 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 407 A C 1.807 179.438 177.584 0.078 0.000 1.157 407 A CA 1.211 53.278 52.037 0.051 0.000 0.670 407 A CB -0.268 18.784 19.000 0.087 0.000 0.804 407 A HN 0.729 nan 8.150 nan 0.000 0.453 408 E N 0.658 120.893 120.200 0.059 0.000 2.463 408 E HA -0.081 4.269 4.350 -0.000 0.000 0.201 408 E C 1.582 178.212 176.600 0.049 0.000 1.045 408 E CA 0.992 57.430 56.400 0.064 0.000 0.872 408 E CB -0.644 29.085 29.700 0.048 0.000 0.797 408 E HN 0.496 nan 8.360 nan 0.000 0.538 409 A N 1.764 124.607 122.820 0.039 0.000 2.019 409 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 409 A C 2.295 179.907 177.584 0.046 0.000 1.164 409 A CA 1.018 53.081 52.037 0.042 0.000 0.644 409 A CB -0.661 18.369 19.000 0.050 0.000 0.805 409 A HN 0.293 nan 8.150 nan 0.000 0.449 410 I N 0.378 120.957 120.570 0.014 0.000 2.454 410 I HA -0.244 3.926 4.170 -0.000 0.000 0.254 410 I C 1.385 177.514 176.117 0.019 0.000 1.156 410 I CA 0.815 62.092 61.300 -0.038 0.000 1.433 410 I CB -0.453 37.424 38.000 -0.205 0.000 1.082 410 I HN 0.289 nan 8.210 nan 0.000 0.432 411 N N 0.091 118.815 118.700 0.040 0.000 2.573 411 N HA -0.143 4.597 4.740 -0.000 0.000 0.187 411 N C 1.817 177.338 175.510 0.020 0.000 1.107 411 N CA 1.076 54.159 53.050 0.054 0.000 0.918 411 N CB -0.428 38.093 38.487 0.057 0.000 0.966 411 N HN 0.304 nan 8.380 nan 0.000 0.448 412 T N -0.652 113.885 114.554 -0.029 0.000 2.915 412 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 412 T C 1.696 176.319 174.700 -0.128 0.000 1.071 412 T CA 1.693 63.730 62.100 -0.105 0.000 1.132 412 T CB 0.063 68.802 68.868 -0.215 0.000 0.878 412 T HN 0.419 nan 8.240 nan 0.000 0.479 413 S N -2.022 113.640 115.700 -0.064 0.000 2.648 413 S HA 0.265 4.735 4.470 -0.000 0.000 0.270 413 S C 0.147 174.824 174.600 0.129 0.000 1.080 413 S CA -0.696 57.511 58.200 0.012 0.000 1.159 413 S CB 0.066 63.315 63.200 0.082 0.000 1.091 413 S HN 0.560 nan 8.310 nan 0.000 0.605 414 Y N 1.963 122.278 120.300 0.025 0.000 2.529 414 Y HA 0.375 4.925 4.550 -0.000 0.000 0.319 414 Y C -2.696 173.242 175.900 0.062 0.000 1.063 414 Y CA -2.074 56.062 58.100 0.060 0.000 1.178 414 Y CB 1.405 39.894 38.460 0.049 0.000 1.123 414 Y HN 0.108 nan 8.280 nan 0.000 0.625 415 P HA -0.193 nan 4.420 nan 0.000 0.217 415 P C 1.169 178.603 177.300 0.224 0.000 1.148 415 P CA 1.841 65.061 63.100 0.200 0.000 0.828 415 P CB 0.229 32.013 31.700 0.139 0.000 0.783 416 S N -2.748 113.148 115.700 0.326 0.000 2.660 416 S HA 0.082 4.552 4.470 -0.000 0.000 0.227 416 S C 1.417 176.097 174.600 0.133 0.000 0.948 416 S CA -0.587 57.765 58.200 0.253 0.000 0.948 416 S CB -1.496 61.863 63.200 0.265 0.000 0.779 416 S HN -0.040 nan 8.310 nan 0.000 0.487 417 F N 2.627 122.376 119.950 -0.335 0.000 2.043 417 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 417 F C 1.474 177.002 175.800 -0.453 0.000 1.118 417 F CA 1.561 58.994 58.000 -0.945 0.000 1.202 417 F CB -0.582 37.668 39.000 -1.251 0.000 0.965 417 F HN 0.276 nan 8.300 nan 0.000 0.482 418 F N 0.777 120.653 119.950 -0.123 0.000 2.234 418 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 418 F C 2.361 178.066 175.800 -0.159 0.000 1.087 418 F CA 1.419 59.317 58.000 -0.169 0.000 1.340 418 F CB -1.029 37.963 39.000 -0.013 0.000 1.031 418 F HN 0.018 nan 8.300 nan 0.000 0.500 419 D N 0.119 120.553 120.400 0.057 0.000 2.117 419 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 419 D C 1.789 178.044 176.300 -0.075 0.000 0.982 419 D CA 1.301 55.311 54.000 0.017 0.000 0.828 419 D CB -0.361 40.469 40.800 0.050 0.000 0.967 419 D HN 0.216 nan 8.370 nan 0.000 0.464 420 D N 0.202 120.528 120.400 -0.123 0.000 2.144 420 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 420 D C 2.158 178.183 176.300 -0.457 0.000 0.978 420 D CA 0.211 54.065 54.000 -0.243 0.000 0.833 420 D CB -0.218 40.500 40.800 -0.136 0.000 0.961 420 D HN 0.134 nan 8.370 nan 0.000 0.470 421 L N 1.324 122.301 121.223 -0.409 0.000 2.017 421 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 421 L C 1.943 178.656 176.870 -0.261 0.000 1.073 421 L CA 1.725 56.361 54.840 -0.340 0.000 0.745 421 L CB -0.425 41.521 42.059 -0.188 0.000 0.894 421 L HN -0.176 nan 8.230 nan 0.000 0.432 422 E N 0.001 120.096 120.200 -0.176 0.000 2.097 422 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 422 E C 2.366 178.809 176.600 -0.261 0.000 1.000 422 E CA 1.584 57.879 56.400 -0.175 0.000 0.804 422 E CB -0.552 29.101 29.700 -0.079 0.000 0.740 422 E HN 0.744 nan 8.360 nan 0.000 0.454 423 S N 0.027 115.597 115.700 -0.217 0.000 2.474 423 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 423 S C 2.007 176.462 174.600 -0.242 0.000 0.997 423 S CA 0.596 58.685 58.200 -0.184 0.000 0.949 423 S CB -0.268 62.845 63.200 -0.144 0.000 0.766 423 S HN 0.196 nan 8.310 nan 0.000 0.517 424 L N 0.322 121.345 121.223 -0.333 0.000 2.416 424 L HA 0.207 4.547 4.340 -0.000 0.000 0.216 424 L C 1.895 178.538 176.870 -0.378 0.000 1.098 424 L CA 0.041 54.677 54.840 -0.340 0.000 0.840 424 L CB -0.356 41.472 42.059 -0.385 0.000 0.981 424 L HN 0.239 nan 8.230 nan 0.000 0.462 425 I N 0.864 121.178 120.570 -0.426 0.000 2.502 425 I HA -0.257 3.913 4.170 -0.000 0.000 0.258 425 I C 1.720 177.636 176.117 -0.335 0.000 1.172 425 I CA 1.870 62.910 61.300 -0.433 0.000 1.430 425 I CB -1.178 36.521 38.000 -0.502 0.000 1.086 425 I HN 0.571 nan 8.210 nan 0.000 0.440 426 H N -2.999 116.025 119.070 -0.078 0.000 3.170 426 H HA 0.389 4.945 4.556 -0.000 0.000 0.215 426 H C 0.590 175.996 175.328 0.130 0.000 1.055 426 H CA -0.014 56.063 56.048 0.048 0.000 0.998 426 H CB -0.730 29.097 29.762 0.109 0.000 1.059 426 H HN 0.047 nan 8.280 nan 0.000 0.700 427 G N 0.000 108.958 108.800 0.263 0.000 5.446 427 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 427 G CA 0.000 45.241 45.100 0.236 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925