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 3gty_1_X DATA FIRST_RESID 1 DATA SEQUENCE MEVKELERDK NRVVLEYVFG AEEIAQAEDK AVRYLNQRVE IPGXXKGRIP DATA SEQUENCE KNVLKMKLGE EFQEYTLDFL MDLIPDTLKD RKLILSPIVT ERELKDVTAR DATA SEQUENCE VVVEVHEEPE VRIGDISKIE VEKVDEEKVL EKYVERRIED LRESHALLEP DATA SEQUENCE KEGPAEAGDL VRVNMEVYNE EGKKLTSREY EYVISEDEDR PFVKDLVGKK DATA SEQUENCE KGDVVEIERE YEGKKYTYKL EVEEVYKRTL PEIGDELAKS VNNEFETLEQ DATA SEQUENCE LKESLKKEGK EIYDVEMKES MREQLLEKLP EIVEIEISDR TLEILVNEAI DATA SEQUENCE NRLKREGRYE QIVSSYESEE KFREELKERI LDDIKRDRVI EVLAQEKGIS DATA SEQUENCE VNDEELEKEA EELAPFWGIS PDRAKSLVKA RQDLREELRW AILKRKVLDL DATA SEQUENCE LLQEVKVKVV EPKG 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 0.000 176.268 176.300 -0.054 0.000 1.140 1 M CA 0.000 55.329 55.300 0.049 0.000 0.988 1 M CB 0.000 32.682 32.600 0.136 0.000 1.302 2 E N 2.450 122.549 120.200 -0.168 0.000 2.349 2 E HA 0.548 4.907 4.350 0.014 0.000 0.290 2 E C -2.220 174.201 176.600 -0.298 0.000 0.901 2 E CA -0.565 55.727 56.400 -0.179 0.000 0.800 2 E CB 2.104 31.726 29.700 -0.129 0.000 1.303 2 E HN 0.490 nan 8.360 nan 0.000 0.397 3 V N 4.247 123.963 119.914 -0.330 0.000 2.459 3 V HA 0.539 4.667 4.120 0.014 0.000 0.295 3 V C -0.485 175.409 176.094 -0.333 0.000 1.029 3 V CA -0.717 61.272 62.300 -0.518 0.000 0.874 3 V CB 1.379 32.803 31.823 -0.665 0.000 0.985 3 V HN 0.627 nan 8.190 nan 0.000 0.438 4 K N 2.413 122.628 120.400 -0.308 0.000 2.464 4 K HA 0.639 4.967 4.320 0.014 0.000 0.253 4 K C -0.807 175.692 176.600 -0.169 0.000 0.933 4 K CA -0.767 55.404 56.287 -0.195 0.000 0.801 4 K CB 2.879 35.295 32.500 -0.140 0.000 1.271 4 K HN 0.612 nan 8.250 nan 0.000 0.430 5 E N 3.877 124.002 120.200 -0.125 0.000 2.105 5 E HA 0.039 4.398 4.350 0.014 0.000 0.285 5 E C -0.158 176.398 176.600 -0.074 0.000 1.055 5 E CA -0.431 55.912 56.400 -0.095 0.000 0.843 5 E CB 0.603 30.256 29.700 -0.079 0.000 1.067 5 E HN 0.626 nan 8.360 nan 0.000 0.398 6 L N 4.301 125.485 121.223 -0.065 0.000 1.938 6 L HA -0.086 4.263 4.340 0.014 0.000 0.212 6 L C 0.924 177.768 176.870 -0.044 0.000 1.085 6 L CA 1.647 56.456 54.840 -0.050 0.000 0.760 6 L CB -0.412 41.621 42.059 -0.042 0.000 0.888 6 L HN 0.681 nan 8.230 nan 0.000 0.433 7 E N -0.876 119.298 120.200 -0.043 0.000 2.256 7 E HA 0.563 4.921 4.350 0.014 0.000 0.267 7 E C -0.687 175.885 176.600 -0.045 0.000 0.892 7 E CA -1.009 55.368 56.400 -0.040 0.000 0.775 7 E CB 1.964 31.644 29.700 -0.033 0.000 1.207 7 E HN -0.009 nan 8.360 nan 0.000 0.420 8 R N 1.505 121.982 120.500 -0.039 0.000 2.393 8 R HA 0.320 4.668 4.340 0.014 0.000 0.315 8 R C -1.743 174.538 176.300 -0.033 0.000 0.952 8 R CA -0.464 55.612 56.100 -0.040 0.000 0.842 8 R CB 1.349 31.628 30.300 -0.034 0.000 1.163 8 R HN 0.671 nan 8.270 nan 0.000 0.450 9 D N 4.147 124.525 120.400 -0.036 0.000 2.404 9 D HA 0.288 4.937 4.640 0.014 0.000 0.267 9 D C -0.469 175.822 176.300 -0.015 0.000 1.194 9 D CA -0.253 53.733 54.000 -0.023 0.000 0.910 9 D CB 0.191 40.978 40.800 -0.022 0.000 1.090 9 D HN 0.698 nan 8.370 nan 0.000 0.511 10 K N 1.202 121.595 120.400 -0.011 0.000 1.692 10 K HA -0.339 3.990 4.320 0.014 0.000 0.132 10 K C 1.238 177.835 176.600 -0.004 0.000 1.028 10 K CA 1.849 58.134 56.287 -0.003 0.000 0.304 10 K CB -1.187 31.317 32.500 0.005 0.000 0.686 10 K HN 0.552 nan 8.250 nan 0.000 0.815 11 N N 2.502 121.208 118.700 0.010 0.000 2.409 11 N HA -0.123 4.625 4.740 0.014 0.000 0.179 11 N C 0.579 176.082 175.510 -0.012 0.000 1.032 11 N CA 0.763 53.822 53.050 0.015 0.000 0.898 11 N CB 0.016 38.529 38.487 0.043 0.000 0.971 11 N HN 0.328 nan 8.380 nan 0.000 0.441 12 R N 1.176 121.656 120.500 -0.033 0.000 2.296 12 R HA 0.273 4.622 4.340 0.014 0.000 0.323 12 R C -1.284 174.927 176.300 -0.149 0.000 1.067 12 R CA -0.193 55.804 56.100 -0.172 0.000 0.946 12 R CB 0.655 30.863 30.300 -0.153 0.000 0.991 12 R HN 0.008 nan 8.270 nan 0.000 0.448 13 V N 5.725 125.533 119.914 -0.177 0.000 2.735 13 V HA 0.491 4.620 4.120 0.014 0.000 0.310 13 V C -1.194 174.827 176.094 -0.122 0.000 1.061 13 V CA -0.720 61.511 62.300 -0.115 0.000 0.913 13 V CB 2.156 33.936 31.823 -0.071 0.000 1.005 13 V HN 0.549 nan 8.190 nan 0.000 0.428 14 V N 7.718 127.581 119.914 -0.084 0.000 2.495 14 V HA 0.638 4.766 4.120 0.014 0.000 0.298 14 V C -0.835 175.236 176.094 -0.038 0.000 1.031 14 V CA -0.421 61.844 62.300 -0.058 0.000 0.871 14 V CB 1.552 33.345 31.823 -0.051 0.000 0.988 14 V HN 0.814 nan 8.190 nan 0.000 0.432 15 L N 5.211 126.436 121.223 0.003 0.000 2.334 15 L HA 0.677 5.025 4.340 0.014 0.000 0.273 15 L C -0.319 176.559 176.870 0.013 0.000 1.013 15 L CA -0.634 54.194 54.840 -0.019 0.000 0.816 15 L CB 2.021 44.107 42.059 0.045 0.000 1.278 15 L HN 0.744 nan 8.230 nan 0.000 0.431 16 E N 1.605 121.736 120.200 -0.114 0.000 2.129 16 E HA 0.315 4.673 4.350 0.014 0.000 0.268 16 E C -1.792 174.663 176.600 -0.241 0.000 0.900 16 E CA -0.483 55.866 56.400 -0.084 0.000 0.755 16 E CB 0.981 30.623 29.700 -0.096 0.000 1.117 16 E HN 0.374 nan 8.360 nan 0.000 0.410 17 Y N 3.346 123.529 120.300 -0.195 0.000 2.369 17 Y HA 0.345 4.901 4.550 0.011 0.000 0.337 17 Y C -0.475 175.074 175.900 -0.584 0.000 0.961 17 Y CA -0.844 57.009 58.100 -0.412 0.000 1.186 17 Y CB 1.468 39.674 38.460 -0.423 0.000 1.139 17 Y HN 0.269 nan 8.280 nan 0.000 0.494 18 V N 5.229 124.870 119.914 -0.456 0.000 2.417 18 V HA 0.334 4.462 4.120 0.014 0.000 0.291 18 V C -0.327 175.515 176.094 -0.420 0.000 1.024 18 V CA -0.680 61.419 62.300 -0.335 0.000 0.861 18 V CB 0.746 32.480 31.823 -0.149 0.000 0.985 18 V HN 0.664 nan 8.190 nan 0.000 0.436 19 F N 1.937 121.918 119.950 0.052 0.000 2.393 19 F HA 0.761 5.290 4.527 0.005 0.000 0.205 19 F C 1.629 177.446 175.800 0.028 0.000 1.104 19 F CA 0.773 58.800 58.000 0.045 0.000 1.070 19 F CB -0.807 38.220 39.000 0.045 0.000 1.368 19 F HN 0.793 nan 8.300 nan 0.000 0.607 20 G N 0.091 109.068 108.800 0.294 0.000 2.642 20 G HA2 0.206 4.174 3.960 0.014 0.000 0.231 20 G HA3 0.206 4.174 3.960 0.014 0.000 0.231 20 G C 0.591 175.555 174.900 0.107 0.000 1.338 20 G CA 0.268 45.457 45.100 0.148 0.000 0.883 20 G HN 1.665 nan 8.290 nan 0.000 0.570 21 A N -2.104 120.759 122.820 0.071 0.000 5.110 21 A HA -0.325 4.003 4.320 0.014 0.000 0.349 21 A C 1.922 179.537 177.584 0.050 0.000 1.690 21 A CA 4.013 56.082 52.037 0.053 0.000 0.696 21 A CB -1.599 17.430 19.000 0.048 0.000 1.479 21 A HN 2.431 nan 8.150 nan 0.000 0.403 22 E N -0.111 120.119 120.200 0.051 0.000 2.332 22 E HA 0.086 4.445 4.350 0.014 0.000 0.202 22 E C 1.735 178.358 176.600 0.039 0.000 0.877 22 E CA 0.585 57.009 56.400 0.040 0.000 0.979 22 E CB -0.399 29.320 29.700 0.033 0.000 0.969 22 E HN 0.915 nan 8.360 nan 0.000 0.495 23 E N 2.073 122.306 120.200 0.055 0.000 2.267 23 E HA -0.197 4.162 4.350 0.014 0.000 0.197 23 E C 2.168 178.775 176.600 0.013 0.000 0.998 23 E CA 0.931 57.360 56.400 0.049 0.000 0.830 23 E CB -0.518 29.241 29.700 0.099 0.000 0.751 23 E HN 0.387 nan 8.360 nan 0.000 0.491 24 I N 0.997 121.583 120.570 0.027 0.000 2.208 24 I HA -0.279 3.899 4.170 0.014 0.000 0.245 24 I C 2.380 178.489 176.117 -0.014 0.000 1.097 24 I CA 1.550 62.844 61.300 -0.011 0.000 1.363 24 I CB -0.118 37.898 38.000 0.027 0.000 1.051 24 I HN 0.251 nan 8.210 nan 0.000 0.413 25 A N -0.463 122.363 122.820 0.011 0.000 1.930 25 A HA -0.207 4.121 4.320 0.014 0.000 0.215 25 A C 2.290 179.878 177.584 0.006 0.000 1.176 25 A CA 1.175 53.224 52.037 0.020 0.000 0.632 25 A CB -0.636 18.382 19.000 0.030 0.000 0.819 25 A HN 0.582 nan 8.150 nan 0.000 0.445 26 Q N -0.445 119.353 119.800 -0.003 0.000 2.181 26 Q HA -0.170 4.178 4.340 0.014 0.000 0.205 26 Q C 2.127 178.097 176.000 -0.050 0.000 0.980 26 Q CA 1.423 57.215 55.803 -0.018 0.000 0.862 26 Q CB -0.230 28.503 28.738 -0.009 0.000 0.905 26 Q HN 0.647 nan 8.270 nan 0.000 0.429 27 A N 0.601 123.388 122.820 -0.054 0.000 1.855 27 A HA -0.170 4.158 4.320 0.014 0.000 0.213 27 A C 1.855 179.402 177.584 -0.062 0.000 1.195 27 A CA 1.156 53.149 52.037 -0.074 0.000 0.610 27 A CB -0.609 18.351 19.000 -0.066 0.000 0.837 27 A HN 0.466 nan 8.150 nan 0.000 0.444 28 E N 0.009 120.195 120.200 -0.023 0.000 2.136 28 E HA -0.291 4.068 4.350 0.014 0.000 0.202 28 E C 1.367 178.025 176.600 0.097 0.000 1.019 28 E CA 1.714 58.142 56.400 0.046 0.000 0.819 28 E CB -0.205 29.549 29.700 0.090 0.000 0.739 28 E HN 0.550 nan 8.360 nan 0.000 0.458 29 D N 0.209 120.624 120.400 0.026 0.000 2.120 29 D HA -0.201 4.447 4.640 0.014 0.000 0.191 29 D C 1.912 178.169 176.300 -0.071 0.000 0.994 29 D CA 1.356 55.354 54.000 -0.004 0.000 0.838 29 D CB -0.365 40.418 40.800 -0.028 0.000 0.976 29 D HN -0.008 nan 8.370 nan 0.000 0.447 30 K N 1.020 121.304 120.400 -0.192 0.000 2.144 30 K HA -0.188 4.141 4.320 0.014 0.000 0.209 30 K C 1.778 178.054 176.600 -0.540 0.000 1.047 30 K CA 1.649 57.675 56.287 -0.435 0.000 0.927 30 K CB -0.620 31.489 32.500 -0.651 0.000 0.716 30 K HN 0.130 nan 8.250 nan 0.000 0.454 31 A N -0.327 122.334 122.820 -0.264 0.000 1.858 31 A HA -0.113 4.215 4.320 0.014 0.000 0.216 31 A C 2.334 180.089 177.584 0.285 0.000 1.190 31 A CA 1.872 53.995 52.037 0.144 0.000 0.617 31 A CB -0.821 18.330 19.000 0.252 0.000 0.827 31 A HN 0.104 nan 8.150 nan 0.000 0.443 32 V N 0.132 120.193 119.914 0.245 0.000 2.332 32 V HA -0.313 3.815 4.120 0.014 0.000 0.248 32 V C 2.665 178.793 176.094 0.058 0.000 1.055 32 V CA 2.399 64.792 62.300 0.154 0.000 1.038 32 V CB -0.913 30.963 31.823 0.090 0.000 0.651 32 V HN 0.525 nan 8.190 nan 0.000 0.450 33 R N -0.989 119.520 120.500 0.015 0.000 2.070 33 R HA -0.211 4.138 4.340 0.014 0.000 0.232 33 R C 2.387 178.696 176.300 0.015 0.000 1.138 33 R CA 2.296 58.389 56.100 -0.011 0.000 0.936 33 R CB -0.696 29.577 30.300 -0.044 0.000 0.839 33 R HN 0.634 nan 8.270 nan 0.000 0.429 34 Y N 1.261 121.516 120.300 -0.075 0.000 2.224 34 Y HA -0.178 4.380 4.550 0.014 0.000 0.289 34 Y C 1.984 177.882 175.900 -0.003 0.000 1.146 34 Y CA 1.333 59.428 58.100 -0.009 0.000 1.182 34 Y CB -0.144 38.383 38.460 0.110 0.000 0.983 34 Y HN 0.028 nan 8.280 nan 0.000 0.524 35 L N 0.334 121.566 121.223 0.015 0.000 2.027 35 L HA -0.229 4.119 4.340 0.014 0.000 0.206 35 L C 2.047 178.820 176.870 -0.162 0.000 1.074 35 L CA 1.735 56.510 54.840 -0.109 0.000 0.745 35 L CB -0.635 41.485 42.059 0.101 0.000 0.898 35 L HN 0.280 nan 8.230 nan 0.000 0.433 36 N N 0.379 119.024 118.700 -0.091 0.000 2.430 36 N HA -0.210 4.539 4.740 0.014 0.000 0.186 36 N C 1.468 176.905 175.510 -0.123 0.000 1.032 36 N CA 1.009 54.003 53.050 -0.092 0.000 0.893 36 N CB 0.029 38.480 38.487 -0.060 0.000 0.957 36 N HN 0.471 nan 8.380 nan 0.000 0.442 37 Q N -0.864 118.826 119.800 -0.183 0.000 2.365 37 Q HA 0.095 4.444 4.340 0.014 0.000 0.203 37 Q C 0.297 176.148 176.000 -0.249 0.000 0.929 37 Q CA 0.111 55.797 55.803 -0.195 0.000 0.948 37 Q CB 0.568 29.193 28.738 -0.188 0.000 1.043 37 Q HN 0.175 nan 8.270 nan 0.000 0.505 38 R N -0.474 119.863 120.500 -0.271 0.000 3.322 38 R HA 0.370 4.719 4.340 0.014 0.000 0.189 38 R C 0.248 176.462 176.300 -0.143 0.000 1.510 38 R CA -0.832 55.120 56.100 -0.247 0.000 0.827 38 R CB -0.535 29.551 30.300 -0.357 0.000 1.856 38 R HN -0.136 nan 8.270 nan 0.000 0.497 39 V N 1.879 121.725 119.914 -0.113 0.000 3.083 39 V HA -0.058 4.071 4.120 0.014 0.000 0.303 39 V C 0.819 176.878 176.094 -0.058 0.000 1.151 39 V CA 0.786 63.048 62.300 -0.064 0.000 1.275 39 V CB -0.140 31.663 31.823 -0.034 0.000 0.950 39 V HN 0.456 nan 8.190 nan 0.000 0.506 40 E N 1.781 121.956 120.200 -0.042 0.000 2.404 40 E HA 0.690 5.049 4.350 0.014 0.000 0.264 40 E C -0.865 175.719 176.600 -0.027 0.000 0.946 40 E CA -0.877 55.500 56.400 -0.038 0.000 0.806 40 E CB 2.252 31.927 29.700 -0.041 0.000 1.334 40 E HN 0.643 nan 8.360 nan 0.000 0.429 41 I N -2.296 118.258 120.570 -0.027 0.000 3.294 41 I HA 0.490 4.668 4.170 0.014 0.000 0.311 41 I C -2.237 173.868 176.117 -0.020 0.000 1.111 41 I CA -2.211 59.077 61.300 -0.021 0.000 0.976 41 I CB 0.286 38.272 38.000 -0.022 0.000 1.260 41 I HN 0.336 nan 8.210 nan 0.000 0.474 42 P HA 0.255 nan 4.420 nan 0.000 0.258 42 P C 0.497 177.787 177.300 -0.017 0.000 1.559 42 P CA -0.005 63.086 63.100 -0.015 0.000 0.855 42 P CB -0.581 31.112 31.700 -0.011 0.000 1.594 47 G N 3.174 111.953 108.800 -0.036 0.000 2.212 47 G HA2 -0.314 3.654 3.960 0.014 0.000 0.266 47 G HA3 -0.314 3.654 3.960 0.014 0.000 0.266 47 G C 0.598 175.478 174.900 -0.032 0.000 0.978 47 G CA 0.637 45.716 45.100 -0.035 0.000 0.632 47 G HN 0.614 nan 8.290 nan 0.000 0.537 48 R N -0.488 119.993 120.500 -0.031 0.000 2.362 48 R HA 0.346 4.695 4.340 0.014 0.000 0.227 48 R C 0.977 177.257 176.300 -0.033 0.000 0.905 48 R CA -0.299 55.784 56.100 -0.029 0.000 1.067 48 R CB 0.346 30.632 30.300 -0.024 0.000 1.078 48 R HN 0.469 nan 8.270 nan 0.000 0.516 49 I N 4.134 124.680 120.570 -0.041 0.000 2.662 49 I HA -0.048 4.131 4.170 0.014 0.000 0.285 49 I C -1.342 174.742 176.117 -0.055 0.000 1.161 49 I CA -1.025 60.245 61.300 -0.051 0.000 1.415 49 I CB 0.415 38.378 38.000 -0.062 0.000 1.385 49 I HN -0.012 nan 8.210 nan 0.000 0.552 50 P HA 0.098 nan 4.420 nan 0.000 0.343 50 P C 0.503 177.751 177.300 -0.087 0.000 1.358 50 P CA -0.191 62.877 63.100 -0.053 0.000 0.802 50 P CB 0.726 32.402 31.700 -0.039 0.000 1.886 51 K N -0.538 119.815 120.400 -0.078 0.000 2.078 51 K HA -0.077 4.252 4.320 0.014 0.000 0.203 51 K C 2.081 178.582 176.600 -0.166 0.000 1.043 51 K CA 0.879 57.092 56.287 -0.123 0.000 0.960 51 K CB -0.519 31.965 32.500 -0.026 0.000 0.761 51 K HN 0.270 nan 8.250 nan 0.000 0.448 52 N N 0.187 118.833 118.700 -0.090 0.000 2.051 52 N HA -0.273 4.475 4.740 0.014 0.000 0.199 52 N C 1.700 177.146 175.510 -0.105 0.000 1.045 52 N CA 3.047 56.052 53.050 -0.074 0.000 0.884 52 N CB -0.252 38.209 38.487 -0.044 0.000 1.082 52 N HN 0.008 nan 8.380 nan 0.000 0.495 53 V N 0.952 120.810 119.914 -0.093 0.000 2.279 53 V HA -0.401 3.727 4.120 0.014 0.000 0.258 53 V C 2.388 178.412 176.094 -0.117 0.000 1.078 53 V CA 2.475 64.721 62.300 -0.090 0.000 1.096 53 V CB -1.186 30.585 31.823 -0.087 0.000 0.740 53 V HN 0.379 nan 8.190 nan 0.000 0.465 54 L N -0.675 120.429 121.223 -0.197 0.000 1.944 54 L HA -0.266 4.083 4.340 0.014 0.000 0.218 54 L C 2.616 179.387 176.870 -0.165 0.000 1.075 54 L CA 2.530 57.228 54.840 -0.237 0.000 0.767 54 L CB -0.786 40.986 42.059 -0.479 0.000 0.890 54 L HN 0.308 nan 8.230 nan 0.000 0.434 55 K N -0.357 119.924 120.400 -0.199 0.000 2.147 55 K HA -0.197 4.131 4.320 0.014 0.000 0.205 55 K C 1.881 178.480 176.600 -0.001 0.000 1.049 55 K CA 1.216 57.484 56.287 -0.030 0.000 0.936 55 K CB 0.001 32.532 32.500 0.051 0.000 0.722 55 K HN 0.062 nan 8.250 nan 0.000 0.446 56 M N 0.470 120.054 119.600 -0.026 0.000 2.691 56 M HA 0.024 4.513 4.480 0.014 0.000 0.227 56 M C 0.575 176.869 176.300 -0.010 0.000 1.120 56 M CA 0.917 56.210 55.300 -0.011 0.000 1.034 56 M CB 0.088 32.677 32.600 -0.017 0.000 1.675 56 M HN -0.047 nan 8.290 nan 0.000 0.514 57 K N -1.451 118.943 120.400 -0.010 0.000 2.797 57 K HA 0.394 4.723 4.320 0.014 0.000 0.234 57 K C -0.128 176.482 176.600 0.017 0.000 1.805 57 K CA 0.047 56.332 56.287 -0.003 0.000 1.052 57 K CB 0.136 32.626 32.500 -0.017 0.000 2.129 57 K HN 0.118 nan 8.250 nan 0.000 0.412 58 L N 3.142 124.380 121.223 0.025 0.000 2.544 58 L HA 0.212 4.561 4.340 0.014 0.000 0.240 58 L C 0.162 177.083 176.870 0.085 0.000 1.421 58 L CA -0.379 54.499 54.840 0.064 0.000 1.206 58 L CB -0.855 41.262 42.059 0.095 0.000 1.463 58 L HN 0.364 nan 8.230 nan 0.000 0.437 59 G N 0.709 109.545 108.800 0.061 0.000 2.265 59 G HA2 0.006 3.975 3.960 0.014 0.000 0.240 59 G HA3 0.006 3.975 3.960 0.014 0.000 0.240 59 G C 0.728 175.672 174.900 0.075 0.000 1.270 59 G CA 0.588 45.726 45.100 0.063 0.000 0.901 59 G HN 0.832 nan 8.290 nan 0.000 0.507 60 E N 0.638 120.894 120.200 0.094 0.000 4.120 60 E HA -0.332 4.026 4.350 0.014 0.000 0.179 60 E C 1.671 178.321 176.600 0.084 0.000 1.167 60 E CA 1.554 57.997 56.400 0.072 0.000 2.466 60 E CB -1.656 28.061 29.700 0.028 0.000 1.740 60 E HN 0.663 nan 8.360 nan 0.000 0.469 61 E N 0.110 120.352 120.200 0.070 0.000 2.172 61 E HA -0.285 4.074 4.350 0.014 0.000 0.213 61 E C 1.761 178.446 176.600 0.141 0.000 1.051 61 E CA 2.110 58.526 56.400 0.028 0.000 0.860 61 E CB -0.449 29.340 29.700 0.149 0.000 0.755 61 E HN 0.425 nan 8.360 nan 0.000 0.462 62 F N 2.035 122.062 119.950 0.130 0.000 2.032 62 F HA -0.352 4.183 4.527 0.013 0.000 0.297 62 F C 2.609 178.485 175.800 0.126 0.000 1.125 62 F CA 2.426 60.537 58.000 0.185 0.000 1.202 62 F CB -0.925 38.149 39.000 0.123 0.000 0.958 62 F HN 0.035 nan 8.300 nan 0.000 0.491 63 Q N 0.372 120.150 119.800 -0.037 0.000 2.047 63 Q HA -0.328 4.020 4.340 0.014 0.000 0.211 63 Q C 2.147 178.037 176.000 -0.182 0.000 1.005 63 Q CA 2.664 58.364 55.803 -0.171 0.000 0.866 63 Q CB -0.623 28.082 28.738 -0.055 0.000 0.938 63 Q HN 0.682 nan 8.270 nan 0.000 0.414 64 E N -0.643 119.455 120.200 -0.170 0.000 2.035 64 E HA -0.237 4.122 4.350 0.014 0.000 0.204 64 E C 1.950 178.413 176.600 -0.229 0.000 1.025 64 E CA 1.945 58.197 56.400 -0.248 0.000 0.835 64 E CB -0.392 29.075 29.700 -0.389 0.000 0.764 64 E HN 0.491 nan 8.360 nan 0.000 0.457 65 Y N 0.929 121.179 120.300 -0.083 0.000 2.384 65 Y HA -0.203 4.355 4.550 0.013 0.000 0.289 65 Y C 2.551 178.377 175.900 -0.124 0.000 1.152 65 Y CA 1.375 59.422 58.100 -0.089 0.000 1.258 65 Y CB -0.830 37.701 38.460 0.118 0.000 0.979 65 Y HN 0.084 nan 8.280 nan 0.000 0.549 66 T N 0.046 114.555 114.554 -0.075 0.000 2.668 66 T HA -0.145 4.213 4.350 0.014 0.000 0.258 66 T C 2.134 176.778 174.700 -0.092 0.000 1.051 66 T CA 1.316 63.352 62.100 -0.107 0.000 1.155 66 T CB -0.765 67.883 68.868 -0.367 0.000 0.864 66 T HN 0.184 nan 8.240 nan 0.000 0.413 67 L N 1.470 122.593 121.223 -0.167 0.000 2.051 67 L HA -0.216 4.133 4.340 0.014 0.000 0.214 67 L C 2.509 179.250 176.870 -0.214 0.000 1.076 67 L CA 1.465 56.194 54.840 -0.186 0.000 0.758 67 L CB -0.815 41.154 42.059 -0.150 0.000 0.890 67 L HN 0.288 nan 8.230 nan 0.000 0.433 68 D N -0.518 119.728 120.400 -0.256 0.000 2.228 68 D HA -0.208 4.441 4.640 0.014 0.000 0.203 68 D C 1.958 177.968 176.300 -0.482 0.000 0.988 68 D CA 1.590 55.363 54.000 -0.379 0.000 0.864 68 D CB -0.041 40.488 40.800 -0.452 0.000 0.928 68 D HN 0.348 nan 8.370 nan 0.000 0.469 69 F N 0.336 120.188 119.950 -0.163 0.000 2.473 69 F HA 0.119 4.654 4.527 0.013 0.000 0.294 69 F C 2.339 178.004 175.800 -0.224 0.000 1.103 69 F CA -0.027 57.871 58.000 -0.169 0.000 1.442 69 F CB -0.460 38.455 39.000 -0.141 0.000 1.097 69 F HN -0.134 nan 8.300 nan 0.000 0.547 70 L N -0.626 120.498 121.223 -0.165 0.000 2.012 70 L HA -0.268 4.080 4.340 0.014 0.000 0.210 70 L C 2.405 179.001 176.870 -0.457 0.000 1.073 70 L CA 1.531 56.064 54.840 -0.512 0.000 0.748 70 L CB -0.452 41.130 42.059 -0.796 0.000 0.891 70 L HN 0.175 nan 8.230 nan 0.000 0.431 71 M N -0.892 118.546 119.600 -0.270 0.000 2.229 71 M HA -0.218 4.270 4.480 0.014 0.000 0.264 71 M C 1.635 177.878 176.300 -0.096 0.000 1.063 71 M CA 1.278 56.497 55.300 -0.135 0.000 1.114 71 M CB -0.448 32.072 32.600 -0.134 0.000 1.387 71 M HN 0.186 nan 8.290 nan 0.000 0.420 72 D N 0.856 121.203 120.400 -0.090 0.000 2.220 72 D HA -0.176 4.472 4.640 0.014 0.000 0.198 72 D C 1.514 177.811 176.300 -0.005 0.000 1.001 72 D CA 1.242 55.219 54.000 -0.039 0.000 0.875 72 D CB -0.294 40.514 40.800 0.014 0.000 0.921 72 D HN 0.391 nan 8.370 nan 0.000 0.454 73 L N 0.362 121.598 121.223 0.021 0.000 2.693 73 L HA 0.099 4.447 4.340 0.014 0.000 0.242 73 L C 1.783 178.719 176.870 0.109 0.000 1.157 73 L CA -0.087 54.811 54.840 0.096 0.000 0.929 73 L CB -0.064 42.103 42.059 0.179 0.000 1.103 73 L HN 0.028 nan 8.230 nan 0.000 0.430 74 I N -0.615 119.949 120.570 -0.009 0.000 3.194 74 I HA 0.026 4.205 4.170 0.014 0.000 0.271 74 I C -0.498 175.592 176.117 -0.045 0.000 1.150 74 I CA 0.050 61.268 61.300 -0.137 0.000 1.440 74 I CB -0.988 36.717 38.000 -0.492 0.000 1.276 74 I HN 0.072 nan 8.210 nan 0.000 0.457 75 P HA -0.179 nan 4.420 nan 0.000 0.218 75 P C 0.395 177.705 177.300 0.016 0.000 1.146 75 P CA 1.599 64.689 63.100 -0.017 0.000 0.820 75 P CB -0.146 31.542 31.700 -0.020 0.000 0.778 76 D N -2.635 117.783 120.400 0.031 0.000 2.355 76 D HA -0.037 4.612 4.640 0.014 0.000 0.218 76 D C 1.354 177.691 176.300 0.061 0.000 1.004 76 D CA 0.869 54.895 54.000 0.043 0.000 0.880 76 D CB -0.533 40.293 40.800 0.042 0.000 0.911 76 D HN 0.206 nan 8.370 nan 0.000 0.528 77 T N -0.479 114.129 114.554 0.090 0.000 3.054 77 T HA 0.126 4.484 4.350 0.014 0.000 0.259 77 T C 0.864 175.618 174.700 0.089 0.000 1.092 77 T CA 0.403 62.572 62.100 0.114 0.000 1.121 77 T CB 0.385 69.387 68.868 0.223 0.000 0.912 77 T HN 0.066 nan 8.240 nan 0.000 0.489 78 L N 1.046 122.313 121.223 0.073 0.000 2.433 78 L HA 0.543 4.892 4.340 0.014 0.000 0.256 78 L C 0.482 177.372 176.870 0.033 0.000 1.063 78 L CA -0.295 54.577 54.840 0.054 0.000 0.922 78 L CB 1.312 43.407 42.059 0.061 0.000 1.238 78 L HN -0.053 nan 8.230 nan 0.000 0.466 79 K N -0.031 120.387 120.400 0.030 0.000 2.648 79 K HA 0.018 4.347 4.320 0.014 0.000 0.194 79 K C 0.563 177.176 176.600 0.022 0.000 1.721 79 K CA 0.124 56.424 56.287 0.023 0.000 1.183 79 K CB 0.787 33.300 32.500 0.021 0.000 1.618 79 K HN 0.540 nan 8.250 nan 0.000 0.595 80 D N 0.719 121.134 120.400 0.024 0.000 2.325 80 D HA -0.003 4.645 4.640 0.014 0.000 0.225 80 D C 0.055 176.368 176.300 0.021 0.000 1.096 80 D CA -0.028 53.984 54.000 0.021 0.000 0.844 80 D CB 0.167 40.979 40.800 0.020 0.000 0.925 80 D HN -0.066 nan 8.370 nan 0.000 0.513 81 R N 0.545 121.059 120.500 0.023 0.000 2.562 81 R HA 0.287 4.635 4.340 0.014 0.000 0.298 81 R C -0.593 175.721 176.300 0.023 0.000 0.961 81 R CA -0.759 55.354 56.100 0.023 0.000 0.881 81 R CB 1.166 31.481 30.300 0.024 0.000 1.159 81 R HN -0.217 nan 8.270 nan 0.000 0.450 82 K N 4.007 124.421 120.400 0.023 0.000 2.227 82 K HA 0.295 4.623 4.320 0.014 0.000 0.280 82 K C -0.723 175.892 176.600 0.025 0.000 1.041 82 K CA -0.580 55.720 56.287 0.023 0.000 0.905 82 K CB 1.094 33.609 32.500 0.025 0.000 1.068 82 K HN 0.314 nan 8.250 nan 0.000 0.470 83 L N 3.252 124.488 121.223 0.022 0.000 2.341 83 L HA 0.353 4.702 4.340 0.014 0.000 0.278 83 L C 1.038 177.917 176.870 0.016 0.000 1.005 83 L CA -0.249 54.610 54.840 0.032 0.000 0.818 83 L CB 1.460 43.543 42.059 0.040 0.000 1.259 83 L HN 0.509 nan 8.230 nan 0.000 0.418 84 I N 3.498 124.081 120.570 0.022 0.000 3.735 84 I HA 0.253 4.432 4.170 0.014 0.000 0.310 84 I C -0.798 175.295 176.117 -0.041 0.000 1.270 84 I CA 0.645 61.936 61.300 -0.014 0.000 1.207 84 I CB -0.076 37.916 38.000 -0.012 0.000 1.013 84 I HN 0.409 nan 8.210 nan 0.000 0.452 85 L N -0.259 120.954 121.223 -0.016 0.000 2.905 85 L HA 0.302 4.650 4.340 0.014 0.000 0.260 85 L C -0.241 176.633 176.870 0.007 0.000 0.933 85 L CA -0.127 54.682 54.840 -0.052 0.000 1.034 85 L CB 1.104 43.052 42.059 -0.186 0.000 1.550 85 L HN -0.163 nan 8.230 nan 0.000 0.480 86 S N 5.779 121.473 115.700 -0.010 0.000 2.558 86 S HA 0.210 4.689 4.470 0.014 0.000 0.293 86 S C -2.245 172.376 174.600 0.035 0.000 1.292 86 S CA -0.401 57.803 58.200 0.006 0.000 1.063 86 S CB 0.072 63.265 63.200 -0.013 0.000 0.831 86 S HN 0.467 nan 8.310 nan 0.000 0.499 87 P HA 0.055 nan 4.420 nan 0.000 0.262 87 P C -0.531 176.791 177.300 0.036 0.000 1.182 87 P CA 0.148 63.278 63.100 0.049 0.000 0.761 87 P CB -0.122 31.589 31.700 0.017 0.000 0.795 88 I N 0.250 120.855 120.570 0.058 0.000 2.378 88 I HA 0.394 4.572 4.170 0.014 0.000 0.291 88 I C -0.291 175.840 176.117 0.023 0.000 0.992 88 I CA -1.420 59.902 61.300 0.036 0.000 1.154 88 I CB 1.972 40.005 38.000 0.055 0.000 1.315 88 I HN -0.095 nan 8.210 nan 0.000 0.448 89 V N 6.245 126.160 119.914 0.003 0.000 2.356 89 V HA 0.094 4.222 4.120 0.014 0.000 0.258 89 V C 1.159 177.255 176.094 0.004 0.000 1.065 89 V CA 0.059 62.358 62.300 -0.001 0.000 0.935 89 V CB 0.159 31.970 31.823 -0.020 0.000 1.061 89 V HN 1.021 nan 8.190 nan 0.000 0.484 90 T N 4.111 118.673 114.554 0.013 0.000 2.542 90 T HA -0.095 4.264 4.350 0.014 0.000 0.257 90 T C 0.565 175.269 174.700 0.007 0.000 1.111 90 T CA 1.169 63.276 62.100 0.011 0.000 1.203 90 T CB -0.034 68.842 68.868 0.013 0.000 0.866 90 T HN 0.874 nan 8.240 nan 0.000 0.399 91 E N 1.595 121.803 120.200 0.013 0.000 2.238 91 E HA 0.608 4.967 4.350 0.014 0.000 0.267 91 E C -0.979 175.633 176.600 0.021 0.000 0.887 91 E CA -1.186 55.221 56.400 0.012 0.000 0.769 91 E CB 1.701 31.408 29.700 0.012 0.000 1.187 91 E HN 0.430 nan 8.360 nan 0.000 0.416 92 R N 1.323 121.831 120.500 0.014 0.000 2.673 92 R HA 0.611 4.960 4.340 0.014 0.000 0.281 92 R C -1.159 175.150 176.300 0.016 0.000 0.991 92 R CA -1.045 55.068 56.100 0.022 0.000 0.896 92 R CB 1.930 32.230 30.300 0.000 0.000 1.201 92 R HN 0.827 nan 8.270 nan 0.000 0.457 93 E N 1.940 122.159 120.200 0.032 0.000 2.400 93 E HA 0.383 4.741 4.350 0.014 0.000 0.285 93 E C -1.887 174.733 176.600 0.035 0.000 1.005 93 E CA -1.099 55.314 56.400 0.022 0.000 0.816 93 E CB 1.729 31.442 29.700 0.022 0.000 1.220 93 E HN 0.388 nan 8.360 nan 0.000 0.426 94 L N 1.856 123.087 121.223 0.014 0.000 2.404 94 L HA 0.552 4.900 4.340 0.014 0.000 0.272 94 L C -1.295 175.584 176.870 0.015 0.000 0.980 94 L CA -0.311 54.536 54.840 0.011 0.000 0.836 94 L CB 1.279 43.321 42.059 -0.030 0.000 1.238 94 L HN 0.497 nan 8.230 nan 0.000 0.408 95 K N 2.218 122.636 120.400 0.029 0.000 2.211 95 K HA 0.330 4.659 4.320 0.014 0.000 0.237 95 K C 0.370 176.989 176.600 0.032 0.000 1.002 95 K CA -0.265 56.040 56.287 0.029 0.000 0.885 95 K CB 1.511 34.031 32.500 0.032 0.000 1.136 95 K HN 0.705 nan 8.250 nan 0.000 0.448 96 D N -0.458 119.962 120.400 0.034 0.000 2.182 96 D HA -0.165 4.484 4.640 0.014 0.000 0.201 96 D C 1.379 177.702 176.300 0.039 0.000 0.986 96 D CA 1.151 55.175 54.000 0.039 0.000 0.847 96 D CB -0.065 40.759 40.800 0.040 0.000 0.942 96 D HN 0.167 nan 8.370 nan 0.000 0.467 97 V N -1.397 118.540 119.914 0.038 0.000 2.690 97 V HA 0.116 4.245 4.120 0.014 0.000 0.240 97 V C 1.163 177.287 176.094 0.050 0.000 1.078 97 V CA 0.909 63.233 62.300 0.040 0.000 1.102 97 V CB 0.321 32.165 31.823 0.034 0.000 0.800 97 V HN 0.332 nan 8.190 nan 0.000 0.479 98 T N -0.650 113.937 114.554 0.054 0.000 2.926 98 T HA 0.808 5.167 4.350 0.014 0.000 0.289 98 T C -1.114 173.643 174.700 0.094 0.000 1.054 98 T CA 0.140 62.285 62.100 0.075 0.000 1.015 98 T CB 1.820 70.724 68.868 0.060 0.000 1.167 98 T HN 0.518 nan 8.240 nan 0.000 0.526 99 A N 2.029 124.941 122.820 0.155 0.000 2.539 99 A HA 0.868 5.197 4.320 0.014 0.000 0.296 99 A C -0.994 176.735 177.584 0.242 0.000 1.073 99 A CA -0.824 51.331 52.037 0.197 0.000 0.700 99 A CB 1.657 20.793 19.000 0.226 0.000 1.296 99 A HN 0.826 nan 8.150 nan 0.000 0.405 100 R N 1.346 121.966 120.500 0.199 0.000 2.510 100 R HA 0.592 4.941 4.340 0.014 0.000 0.287 100 R C -2.324 174.069 176.300 0.155 0.000 1.084 100 R CA -0.247 55.936 56.100 0.139 0.000 0.934 100 R CB 1.813 32.148 30.300 0.058 0.000 1.201 100 R HN 0.566 nan 8.270 nan 0.000 0.431 101 V N 4.229 124.258 119.914 0.190 0.000 2.680 101 V HA 0.546 4.674 4.120 0.014 0.000 0.309 101 V C -0.572 175.610 176.094 0.147 0.000 1.052 101 V CA -0.796 61.607 62.300 0.172 0.000 0.908 101 V CB 2.115 34.083 31.823 0.242 0.000 1.001 101 V HN 0.500 nan 8.190 nan 0.000 0.431 102 V N 4.959 124.933 119.914 0.100 0.000 2.443 102 V HA 0.543 4.672 4.120 0.014 0.000 0.293 102 V C -0.350 175.790 176.094 0.077 0.000 1.021 102 V CA -0.495 61.863 62.300 0.097 0.000 0.848 102 V CB 2.065 33.917 31.823 0.048 0.000 0.998 102 V HN 0.768 nan 8.190 nan 0.000 0.424 103 V N 2.016 121.995 119.914 0.109 0.000 2.769 103 V HA 0.721 4.849 4.120 0.014 0.000 0.312 103 V C -0.385 175.734 176.094 0.043 0.000 1.058 103 V CA -0.704 61.632 62.300 0.060 0.000 0.952 103 V CB 2.018 33.865 31.823 0.039 0.000 1.019 103 V HN 0.880 nan 8.190 nan 0.000 0.445 104 E N 1.879 122.087 120.200 0.013 0.000 2.133 104 E HA 0.625 4.983 4.350 0.014 0.000 0.274 104 E C -1.591 174.960 176.600 -0.081 0.000 0.930 104 E CA -0.629 55.740 56.400 -0.052 0.000 0.770 104 E CB 2.035 31.708 29.700 -0.045 0.000 1.104 104 E HN 0.727 nan 8.360 nan 0.000 0.403 105 V N 5.130 124.954 119.914 -0.151 0.000 2.459 105 V HA 0.217 4.345 4.120 0.014 0.000 0.295 105 V C -0.317 175.638 176.094 -0.232 0.000 1.029 105 V CA -0.714 61.529 62.300 -0.095 0.000 0.874 105 V CB 1.541 33.349 31.823 -0.025 0.000 0.985 105 V HN 0.702 nan 8.190 nan 0.000 0.438 106 H N 4.298 123.368 119.070 0.000 0.000 2.556 106 H HA 0.233 4.798 4.556 0.015 0.000 0.240 106 H C 0.314 175.639 175.328 -0.004 0.000 1.543 106 H CA -0.369 55.676 56.048 -0.005 0.000 1.287 106 H CB 0.589 30.344 29.762 -0.011 0.000 1.529 106 H HN 0.811 nan 8.280 nan 0.000 0.553 107 E N 1.324 121.562 120.200 0.064 0.000 2.438 107 E HA -0.043 4.316 4.350 0.014 0.000 0.261 107 E C -0.267 176.363 176.600 0.051 0.000 1.103 107 E CA -0.304 56.123 56.400 0.045 0.000 0.959 107 E CB 1.077 30.790 29.700 0.021 0.000 0.958 107 E HN 0.289 nan 8.360 nan 0.000 0.447 108 E N 2.247 122.470 120.200 0.038 0.000 2.465 108 E HA 0.044 4.403 4.350 0.014 0.000 0.260 108 E C -2.023 174.595 176.600 0.030 0.000 0.980 108 E CA -1.249 55.171 56.400 0.032 0.000 0.927 108 E CB 0.402 30.120 29.700 0.030 0.000 0.934 108 E HN 0.299 nan 8.360 nan 0.000 0.459 109 P HA 0.021 nan 4.420 nan 0.000 0.271 109 P C -0.785 176.528 177.300 0.022 0.000 1.218 109 P CA -0.079 63.036 63.100 0.025 0.000 0.780 109 P CB 0.669 32.383 31.700 0.023 0.000 0.901 110 E N 1.245 121.455 120.200 0.017 0.000 2.324 110 E HA 0.169 4.527 4.350 0.014 0.000 0.271 110 E C 0.258 176.867 176.600 0.015 0.000 1.028 110 E CA -0.352 56.057 56.400 0.015 0.000 0.890 110 E CB 0.850 30.556 29.700 0.011 0.000 1.004 110 E HN 0.269 nan 8.360 nan 0.000 0.431 111 V N 1.504 121.428 119.914 0.017 0.000 2.785 111 V HA 0.540 4.669 4.120 0.014 0.000 0.300 111 V C 0.135 176.236 176.094 0.012 0.000 1.062 111 V CA -0.833 61.476 62.300 0.016 0.000 1.029 111 V CB 1.009 32.844 31.823 0.020 0.000 1.024 111 V HN 0.564 nan 8.190 nan 0.000 0.477 112 R N 2.813 123.318 120.500 0.010 0.000 2.507 112 R HA 0.536 4.884 4.340 0.014 0.000 0.298 112 R C -0.349 175.955 176.300 0.007 0.000 1.087 112 R CA -0.595 55.509 56.100 0.007 0.000 0.917 112 R CB 1.459 31.762 30.300 0.005 0.000 1.173 112 R HN 0.877 nan 8.270 nan 0.000 0.472 113 I N -0.413 120.160 120.570 0.006 0.000 2.556 113 I HA 0.586 4.764 4.170 0.014 0.000 0.177 113 I C 0.960 177.078 176.117 0.003 0.000 1.387 113 I CA -0.198 61.105 61.300 0.004 0.000 0.595 113 I CB 0.235 38.237 38.000 0.003 0.000 1.857 113 I HN 0.592 nan 8.210 nan 0.000 1.071 114 G N 0.210 109.011 108.800 0.001 0.000 3.853 114 G HA2 0.332 4.300 3.960 0.014 0.000 0.236 114 G HA3 0.332 4.300 3.960 0.014 0.000 0.236 114 G C -0.924 173.975 174.900 -0.001 0.000 3.905 114 G CA 0.003 45.103 45.100 0.000 0.000 0.533 114 G HN 0.983 nan 8.290 nan 0.000 0.246 115 D N -0.319 120.080 120.400 -0.002 0.000 4.520 115 D HA -0.159 4.489 4.640 0.014 0.000 0.245 115 D C 1.178 177.476 176.300 -0.003 0.000 1.068 115 D CA 0.587 54.585 54.000 -0.003 0.000 1.211 115 D CB -0.895 39.904 40.800 -0.002 0.000 0.818 115 D HN 0.337 nan 8.370 nan 0.000 0.392 116 I N 1.443 122.010 120.570 -0.005 0.000 2.567 116 I HA -0.186 3.993 4.170 0.014 0.000 0.257 116 I C 2.266 178.380 176.117 -0.006 0.000 1.184 116 I CA 1.271 62.567 61.300 -0.007 0.000 1.451 116 I CB -0.207 37.787 38.000 -0.010 0.000 1.089 116 I HN 0.316 nan 8.210 nan 0.000 0.441 117 S N 0.043 115.740 115.700 -0.005 0.000 2.603 117 S HA -0.017 4.462 4.470 0.014 0.000 0.229 117 S C 1.748 176.345 174.600 -0.004 0.000 0.972 117 S CA 0.529 58.726 58.200 -0.005 0.000 0.935 117 S CB -0.212 62.986 63.200 -0.004 0.000 0.769 117 S HN 0.471 nan 8.310 nan 0.000 0.536 118 K N 1.005 121.403 120.400 -0.003 0.000 2.242 118 K HA 0.187 4.515 4.320 0.014 0.000 0.200 118 K C 0.813 177.412 176.600 -0.002 0.000 1.050 118 K CA 0.408 56.694 56.287 -0.002 0.000 0.981 118 K CB 0.048 32.547 32.500 -0.001 0.000 0.795 118 K HN 0.490 nan 8.250 nan 0.000 0.477 119 I N 0.946 121.515 120.570 -0.003 0.000 2.440 119 I HA 0.197 4.376 4.170 0.014 0.000 0.294 119 I C -0.502 175.613 176.117 -0.004 0.000 0.995 119 I CA -0.857 60.441 61.300 -0.003 0.000 1.306 119 I CB 1.114 39.112 38.000 -0.003 0.000 1.407 119 I HN 0.010 nan 8.210 nan 0.000 0.501 120 E N 5.273 125.472 120.200 -0.003 0.000 2.183 120 E HA 0.643 5.001 4.350 0.014 0.000 0.271 120 E C -0.832 175.765 176.600 -0.004 0.000 0.919 120 E CA -0.996 55.402 56.400 -0.003 0.000 0.781 120 E CB 2.182 31.881 29.700 -0.001 0.000 1.140 120 E HN 0.630 nan 8.360 nan 0.000 0.402 121 V N -0.522 119.389 119.914 -0.006 0.000 2.881 121 V HA 0.550 4.678 4.120 0.014 0.000 0.316 121 V C -0.292 175.800 176.094 -0.004 0.000 1.070 121 V CA -0.970 61.325 62.300 -0.008 0.000 0.976 121 V CB 1.648 33.462 31.823 -0.015 0.000 1.038 121 V HN 0.829 nan 8.190 nan 0.000 0.446 122 E N 1.535 121.733 120.200 -0.003 0.000 2.191 122 E HA 0.540 4.899 4.350 0.014 0.000 0.278 122 E C -0.995 175.609 176.600 0.007 0.000 0.972 122 E CA -0.728 55.675 56.400 0.005 0.000 0.804 122 E CB 2.134 31.838 29.700 0.007 0.000 1.110 122 E HN 0.687 nan 8.360 nan 0.000 0.394 123 K N 1.942 122.356 120.400 0.022 0.000 2.464 123 K HA 0.380 4.708 4.320 0.014 0.000 0.253 123 K C -1.357 175.288 176.600 0.076 0.000 0.933 123 K CA -0.709 55.605 56.287 0.044 0.000 0.801 123 K CB 1.915 34.441 32.500 0.043 0.000 1.271 123 K HN 0.231 nan 8.250 nan 0.000 0.430 124 V N 2.885 122.876 119.914 0.129 0.000 2.465 124 V HA 0.045 4.173 4.120 0.014 0.000 0.279 124 V C 0.121 176.279 176.094 0.106 0.000 1.045 124 V CA -0.700 61.666 62.300 0.110 0.000 0.938 124 V CB 1.351 33.242 31.823 0.113 0.000 0.986 124 V HN 0.814 nan 8.190 nan 0.000 0.467 125 D N 3.612 124.034 120.400 0.036 0.000 2.536 125 D HA -0.103 4.546 4.640 0.014 0.000 0.260 125 D C 1.125 177.372 176.300 -0.088 0.000 1.270 125 D CA 0.679 54.678 54.000 -0.001 0.000 0.934 125 D CB 0.692 41.484 40.800 -0.014 0.000 1.129 125 D HN 0.827 nan 8.370 nan 0.000 0.533 126 E N 3.179 123.312 120.200 -0.112 0.000 2.007 126 E HA -0.255 4.103 4.350 0.014 0.000 0.203 126 E C 1.199 177.622 176.600 -0.295 0.000 1.020 126 E CA 1.170 57.332 56.400 -0.396 0.000 0.845 126 E CB 0.164 29.757 29.700 -0.179 0.000 0.779 126 E HN 0.449 nan 8.360 nan 0.000 0.466 127 E N 0.447 120.559 120.200 -0.147 0.000 2.130 127 E HA -0.204 4.154 4.350 0.014 0.000 0.196 127 E C 1.867 178.410 176.600 -0.094 0.000 0.998 127 E CA 1.034 57.372 56.400 -0.105 0.000 0.806 127 E CB -0.202 29.465 29.700 -0.055 0.000 0.738 127 E HN 0.243 nan 8.360 nan 0.000 0.459 128 K N 0.360 120.709 120.400 -0.085 0.000 2.487 128 K HA 0.026 4.354 4.320 0.014 0.000 0.192 128 K C 1.559 178.119 176.600 -0.068 0.000 1.027 128 K CA 0.090 56.341 56.287 -0.059 0.000 1.054 128 K CB 0.381 32.858 32.500 -0.039 0.000 0.824 128 K HN -0.074 nan 8.250 nan 0.000 0.510 129 V N 0.428 120.268 119.914 -0.124 0.000 3.621 129 V HA 0.042 4.171 4.120 0.014 0.000 0.263 129 V C 1.433 177.468 176.094 -0.098 0.000 1.272 129 V CA 0.364 62.595 62.300 -0.114 0.000 1.080 129 V CB 0.233 31.954 31.823 -0.170 0.000 0.816 129 V HN 0.216 nan 8.190 nan 0.000 0.451 130 L N -0.175 120.968 121.223 -0.135 0.000 2.068 130 L HA -0.045 4.303 4.340 0.014 0.000 0.204 130 L C 2.369 179.266 176.870 0.046 0.000 1.076 130 L CA 1.849 56.656 54.840 -0.054 0.000 0.753 130 L CB -0.472 41.521 42.059 -0.110 0.000 0.910 130 L HN 0.362 nan 8.230 nan 0.000 0.439 131 E N 0.499 120.699 120.200 -0.001 0.000 2.065 131 E HA -0.291 4.068 4.350 0.014 0.000 0.201 131 E C 2.150 178.760 176.600 0.017 0.000 1.016 131 E CA 1.502 57.905 56.400 0.004 0.000 0.818 131 E CB 0.168 29.860 29.700 -0.013 0.000 0.749 131 E HN 0.129 nan 8.360 nan 0.000 0.453 132 K N -0.037 120.374 120.400 0.017 0.000 2.089 132 K HA -0.220 4.109 4.320 0.014 0.000 0.210 132 K C 1.998 178.631 176.600 0.056 0.000 1.048 132 K CA 1.544 57.846 56.287 0.025 0.000 0.926 132 K CB -0.845 31.669 32.500 0.023 0.000 0.714 132 K HN 0.363 nan 8.250 nan 0.000 0.448 133 Y N 1.437 121.707 120.300 -0.051 0.000 2.060 133 Y HA -0.245 4.313 4.550 0.014 0.000 0.276 133 Y C 2.247 178.121 175.900 -0.044 0.000 1.127 133 Y CA 1.541 59.614 58.100 -0.044 0.000 1.104 133 Y CB -0.680 37.751 38.460 -0.049 0.000 0.983 133 Y HN -0.211 nan 8.280 nan 0.000 0.483 134 V N 1.301 121.193 119.914 -0.037 0.000 2.231 134 V HA -0.416 3.712 4.120 0.014 0.000 0.250 134 V C 2.413 178.415 176.094 -0.152 0.000 1.058 134 V CA 2.461 64.674 62.300 -0.145 0.000 1.022 134 V CB -1.024 30.783 31.823 -0.027 0.000 0.640 134 V HN 0.615 nan 8.190 nan 0.000 0.445 135 E N 0.245 120.395 120.200 -0.083 0.000 2.108 135 E HA -0.352 4.006 4.350 0.014 0.000 0.203 135 E C 2.422 178.963 176.600 -0.098 0.000 1.022 135 E CA 2.351 58.708 56.400 -0.072 0.000 0.823 135 E CB -0.248 29.427 29.700 -0.042 0.000 0.744 135 E HN 0.566 nan 8.360 nan 0.000 0.456 136 R N -0.154 120.274 120.500 -0.120 0.000 2.153 136 R HA -0.081 4.267 4.340 0.014 0.000 0.218 136 R C 2.365 178.549 176.300 -0.193 0.000 1.072 136 R CA 0.985 57.008 56.100 -0.129 0.000 0.990 136 R CB -0.040 30.200 30.300 -0.101 0.000 0.889 136 R HN -0.009 nan 8.270 nan 0.000 0.452 137 R N 1.007 121.326 120.500 -0.301 0.000 2.057 137 R HA 0.051 4.399 4.340 0.014 0.000 0.229 137 R C 2.090 178.256 176.300 -0.224 0.000 1.136 137 R CA 1.510 57.403 56.100 -0.346 0.000 0.952 137 R CB -0.569 29.395 30.300 -0.559 0.000 0.848 137 R HN 0.232 nan 8.270 nan 0.000 0.430 138 I N 0.685 121.141 120.570 -0.189 0.000 2.087 138 I HA -0.316 3.862 4.170 0.014 0.000 0.240 138 I C 2.173 178.220 176.117 -0.117 0.000 1.054 138 I CA 1.851 63.068 61.300 -0.138 0.000 1.311 138 I CB -0.396 37.538 38.000 -0.108 0.000 1.024 138 I HN 0.276 nan 8.210 nan 0.000 0.402 139 E N 0.961 121.097 120.200 -0.106 0.000 2.187 139 E HA -0.267 4.091 4.350 0.014 0.000 0.199 139 E C 1.651 178.197 176.600 -0.090 0.000 1.004 139 E CA 1.604 57.954 56.400 -0.083 0.000 0.813 139 E CB -0.155 29.501 29.700 -0.073 0.000 0.736 139 E HN 0.394 nan 8.360 nan 0.000 0.468 140 D N -1.064 119.267 120.400 -0.114 0.000 2.249 140 D HA -0.063 4.585 4.640 0.014 0.000 0.205 140 D C 1.676 177.890 176.300 -0.143 0.000 0.962 140 D CA 0.225 54.157 54.000 -0.113 0.000 0.860 140 D CB 0.027 40.758 40.800 -0.115 0.000 0.955 140 D HN 0.175 nan 8.370 nan 0.000 0.505 141 L N 1.090 122.214 121.223 -0.165 0.000 2.109 141 L HA -0.032 4.317 4.340 0.014 0.000 0.207 141 L C 2.242 178.972 176.870 -0.233 0.000 1.086 141 L CA 1.268 55.971 54.840 -0.228 0.000 0.760 141 L CB -0.139 41.811 42.059 -0.182 0.000 0.910 141 L HN -0.134 nan 8.230 nan 0.000 0.437 142 R N -0.577 119.852 120.500 -0.118 0.000 2.075 142 R HA -0.217 4.132 4.340 0.014 0.000 0.230 142 R C 2.122 178.390 176.300 -0.054 0.000 1.140 142 R CA 1.600 57.669 56.100 -0.052 0.000 0.928 142 R CB -0.625 29.655 30.300 -0.033 0.000 0.834 142 R HN 0.250 nan 8.270 nan 0.000 0.429 143 E N 0.908 121.070 120.200 -0.063 0.000 2.136 143 E HA -0.236 4.122 4.350 0.014 0.000 0.202 143 E C 2.009 178.575 176.600 -0.057 0.000 1.019 143 E CA 2.153 58.525 56.400 -0.048 0.000 0.819 143 E CB -0.139 29.532 29.700 -0.049 0.000 0.739 143 E HN 0.344 nan 8.360 nan 0.000 0.458 144 S N -0.750 114.873 115.700 -0.128 0.000 2.383 144 S HA -0.164 4.315 4.470 0.014 0.000 0.227 144 S C 1.224 175.803 174.600 -0.035 0.000 1.026 144 S CA 1.002 59.115 58.200 -0.145 0.000 0.981 144 S CB -0.340 62.682 63.200 -0.296 0.000 0.818 144 S HN 0.332 nan 8.310 nan 0.000 0.472 145 H N 2.302 121.357 119.070 -0.025 0.000 2.704 145 H HA 0.617 5.182 4.556 0.014 0.000 0.315 145 H C 0.656 175.969 175.328 -0.026 0.000 1.117 145 H CA -0.423 55.610 56.048 -0.025 0.000 1.129 145 H CB -1.188 28.562 29.762 -0.020 0.000 1.439 145 H HN 0.570 nan 8.280 nan 0.000 0.528 146 A N 1.312 124.177 122.820 0.074 0.000 2.580 146 A HA 0.019 4.348 4.320 0.014 0.000 0.244 146 A C 0.348 177.944 177.584 0.020 0.000 1.045 146 A CA -0.146 51.910 52.037 0.031 0.000 0.761 146 A CB -0.244 18.761 19.000 0.009 0.000 0.962 146 A HN 0.393 nan 8.150 nan 0.000 0.512 147 L N 5.023 126.256 121.223 0.017 0.000 2.261 147 L HA 0.591 4.939 4.340 0.014 0.000 0.289 147 L C -0.625 176.248 176.870 0.005 0.000 1.059 147 L CA -0.344 54.499 54.840 0.005 0.000 0.816 147 L CB 0.618 42.684 42.059 0.011 0.000 1.191 147 L HN 0.583 nan 8.230 nan 0.000 0.431 148 L N 2.695 123.910 121.223 -0.013 0.000 2.354 148 L HA 0.799 5.148 4.340 0.014 0.000 0.264 148 L C -0.574 176.327 176.870 0.052 0.000 1.008 148 L CA -0.920 53.927 54.840 0.011 0.000 0.819 148 L CB 1.515 43.552 42.059 -0.037 0.000 1.339 148 L HN 0.618 nan 8.230 nan 0.000 0.420 149 E N 0.629 120.911 120.200 0.136 0.000 2.331 149 E HA 0.597 4.956 4.350 0.014 0.000 0.275 149 E C -2.782 173.956 176.600 0.230 0.000 0.895 149 E CA -2.103 54.395 56.400 0.164 0.000 0.753 149 E CB 2.887 32.640 29.700 0.088 0.000 1.216 149 E HN 0.523 nan 8.360 nan 0.000 0.434 150 P HA 0.078 nan 4.420 nan 0.000 0.268 150 P C -1.339 175.959 177.300 -0.004 0.000 1.205 150 P CA 0.115 63.230 63.100 0.024 0.000 0.771 150 P CB 0.549 32.235 31.700 -0.024 0.000 0.858 151 K N 1.842 122.208 120.400 -0.056 0.000 2.385 151 K HA 0.277 4.606 4.320 0.014 0.000 0.248 151 K C 0.109 176.681 176.600 -0.047 0.000 0.955 151 K CA -0.473 55.799 56.287 -0.026 0.000 0.816 151 K CB 1.411 33.910 32.500 -0.001 0.000 1.250 151 K HN 0.328 nan 8.250 nan 0.000 0.434 152 E N 1.442 121.626 120.200 -0.026 0.000 2.538 152 E HA 0.114 4.473 4.350 0.014 0.000 0.207 152 E C 0.572 177.162 176.600 -0.018 0.000 1.002 152 E CA -0.300 56.083 56.400 -0.027 0.000 0.952 152 E CB 1.303 30.991 29.700 -0.020 0.000 1.031 152 E HN 0.770 nan 8.360 nan 0.000 0.476 153 G N 2.671 111.464 108.800 -0.011 0.000 2.563 153 G HA2 0.315 4.284 3.960 0.014 0.000 0.283 153 G HA3 0.315 4.284 3.960 0.014 0.000 0.283 153 G C -2.508 172.391 174.900 -0.003 0.000 1.309 153 G CA -0.863 44.234 45.100 -0.004 0.000 1.022 153 G HN -0.109 nan 8.290 nan 0.000 0.501 154 P HA 0.335 nan 4.420 nan 0.000 0.274 154 P C -0.333 176.974 177.300 0.012 0.000 1.246 154 P CA -0.225 62.879 63.100 0.006 0.000 0.795 154 P CB 0.931 32.635 31.700 0.007 0.000 1.006 155 A N 0.912 123.743 122.820 0.018 0.000 3.077 155 A HA 0.119 4.447 4.320 0.014 0.000 0.255 155 A C 0.694 178.296 177.584 0.031 0.000 1.728 155 A CA -0.348 51.707 52.037 0.029 0.000 1.383 155 A CB -1.442 17.582 19.000 0.040 0.000 1.097 155 A HN 0.592 nan 8.150 nan 0.000 0.634 156 E N 0.625 120.840 120.200 0.025 0.000 2.428 156 E HA 0.382 4.741 4.350 0.014 0.000 0.257 156 E C 0.347 176.965 176.600 0.030 0.000 1.197 156 E CA -0.202 56.212 56.400 0.023 0.000 0.974 156 E CB 0.530 30.241 29.700 0.019 0.000 0.976 156 E HN 0.438 nan 8.360 nan 0.000 0.463 157 A N 0.842 123.677 122.820 0.026 0.000 2.488 157 A HA 0.445 4.774 4.320 0.014 0.000 0.249 157 A C 1.158 178.762 177.584 0.033 0.000 1.083 157 A CA 0.381 52.435 52.037 0.029 0.000 0.768 157 A CB -0.496 18.515 19.000 0.020 0.000 1.017 157 A HN 1.152 nan 8.150 nan 0.000 0.496 158 G N 2.084 110.910 108.800 0.042 0.000 2.218 158 G HA2 -0.166 3.802 3.960 0.014 0.000 0.216 158 G HA3 -0.166 3.802 3.960 0.014 0.000 0.216 158 G C -0.024 174.910 174.900 0.056 0.000 0.994 158 G CA 0.216 45.342 45.100 0.043 0.000 0.637 158 G HN 0.766 nan 8.290 nan 0.000 0.505 159 D N -0.243 120.196 120.400 0.065 0.000 2.414 159 D HA 0.485 5.134 4.640 0.014 0.000 0.251 159 D C 0.374 176.740 176.300 0.111 0.000 1.252 159 D CA -0.034 54.016 54.000 0.085 0.000 0.999 159 D CB 1.320 42.165 40.800 0.076 0.000 1.093 159 D HN 0.301 nan 8.370 nan 0.000 0.515 160 L N 1.133 122.447 121.223 0.152 0.000 2.342 160 L HA 0.285 4.634 4.340 0.014 0.000 0.276 160 L C -0.663 176.341 176.870 0.224 0.000 0.997 160 L CA -0.671 54.278 54.840 0.182 0.000 0.838 160 L CB 1.248 43.411 42.059 0.175 0.000 1.224 160 L HN 0.181 nan 8.230 nan 0.000 0.416 161 V N 2.868 122.898 119.914 0.192 0.000 2.539 161 V HA 0.623 4.752 4.120 0.014 0.000 0.292 161 V C -0.441 175.752 176.094 0.164 0.000 1.045 161 V CA -0.619 61.779 62.300 0.165 0.000 0.945 161 V CB 1.606 33.513 31.823 0.140 0.000 0.993 161 V HN 0.896 nan 8.190 nan 0.000 0.464 162 R N 3.820 124.397 120.500 0.129 0.000 2.360 162 R HA 0.684 5.032 4.340 0.014 0.000 0.318 162 R C -0.872 175.461 176.300 0.056 0.000 0.950 162 R CA -0.265 55.891 56.100 0.093 0.000 0.837 162 R CB 1.749 32.144 30.300 0.159 0.000 1.165 162 R HN 1.007 nan 8.270 nan 0.000 0.458 163 V N 1.187 121.127 119.914 0.043 0.000 3.177 163 V HA 0.645 4.774 4.120 0.014 0.000 0.319 163 V C -0.670 175.400 176.094 -0.040 0.000 1.125 163 V CA -1.104 61.214 62.300 0.029 0.000 1.029 163 V CB 1.955 33.831 31.823 0.088 0.000 1.119 163 V HN 0.785 nan 8.190 nan 0.000 0.452 164 N N 1.430 120.092 118.700 -0.063 0.000 2.491 164 N HA 0.494 5.243 4.740 0.014 0.000 0.274 164 N C -0.988 174.438 175.510 -0.140 0.000 1.023 164 N CA -0.455 52.523 53.050 -0.121 0.000 0.902 164 N CB 1.616 40.053 38.487 -0.082 0.000 1.267 164 N HN 1.032 nan 8.380 nan 0.000 0.503 165 M N 2.331 121.792 119.600 -0.230 0.000 2.180 165 M HA 0.399 4.887 4.480 0.014 0.000 0.350 165 M C -1.006 175.184 176.300 -0.182 0.000 1.125 165 M CA -0.285 54.888 55.300 -0.211 0.000 1.031 165 M CB 0.705 33.140 32.600 -0.275 0.000 1.623 165 M HN 0.465 nan 8.290 nan 0.000 0.451 166 E N 3.436 123.558 120.200 -0.131 0.000 2.199 166 E HA 0.528 4.887 4.350 0.014 0.000 0.269 166 E C -1.437 175.105 176.600 -0.097 0.000 0.899 166 E CA -0.924 55.444 56.400 -0.054 0.000 0.772 166 E CB 2.805 32.541 29.700 0.059 0.000 1.155 166 E HN 0.455 nan 8.360 nan 0.000 0.408 167 V N 3.697 123.599 119.914 -0.020 0.000 2.378 167 V HA 0.292 4.420 4.120 0.014 0.000 0.288 167 V C -0.887 175.354 176.094 0.245 0.000 1.016 167 V CA -0.681 61.554 62.300 -0.107 0.000 0.840 167 V CB 0.421 32.025 31.823 -0.366 0.000 0.994 167 V HN 0.628 nan 8.190 nan 0.000 0.431 168 Y N 2.773 123.048 120.300 -0.041 0.000 2.387 168 Y HA 0.345 4.903 4.550 0.014 0.000 0.330 168 Y C 0.876 176.846 175.900 0.118 0.000 1.133 168 Y CA -0.704 57.413 58.100 0.028 0.000 1.152 168 Y CB 1.674 40.152 38.460 0.030 0.000 1.215 168 Y HN 0.618 nan 8.280 nan 0.000 0.466 169 N N 0.895 119.740 118.700 0.241 0.000 2.288 169 N HA -0.077 4.672 4.740 0.014 0.000 0.237 169 N C 0.755 176.337 175.510 0.120 0.000 1.311 169 N CA -0.157 53.028 53.050 0.226 0.000 0.909 169 N CB 0.521 39.079 38.487 0.119 0.000 1.167 169 N HN 0.710 nan 8.380 nan 0.000 0.476 170 E N -0.022 120.172 120.200 -0.010 0.000 2.510 170 E HA -0.160 4.198 4.350 0.014 0.000 0.202 170 E C -0.128 176.461 176.600 -0.019 0.000 1.072 170 E CA 0.828 57.175 56.400 -0.087 0.000 0.883 170 E CB -0.096 29.489 29.700 -0.191 0.000 0.818 170 E HN 0.551 nan 8.360 nan 0.000 0.548 171 E N -1.040 119.171 120.200 0.019 0.000 2.798 171 E HA 0.136 4.495 4.350 0.014 0.000 0.170 171 E C 0.855 177.469 176.600 0.024 0.000 0.912 171 E CA 0.273 56.684 56.400 0.019 0.000 1.349 171 E CB 0.075 29.776 29.700 0.002 0.000 1.023 171 E HN 0.230 nan 8.360 nan 0.000 0.475 172 G N 1.781 110.604 108.800 0.039 0.000 2.796 172 G HA2 -0.263 3.706 3.960 0.014 0.000 0.198 172 G HA3 -0.263 3.706 3.960 0.014 0.000 0.198 172 G C 0.099 174.887 174.900 -0.186 0.000 1.062 172 G CA -0.202 44.884 45.100 -0.023 0.000 0.752 172 G HN 0.173 nan 8.290 nan 0.000 0.487 173 K N 2.239 122.573 120.400 -0.110 0.000 2.264 173 K HA 0.035 4.363 4.320 0.014 0.000 0.262 173 K C 0.622 177.107 176.600 -0.192 0.000 1.247 173 K CA 0.320 56.527 56.287 -0.133 0.000 1.248 173 K CB -0.060 32.412 32.500 -0.047 0.000 0.825 173 K HN 0.435 nan 8.250 nan 0.000 0.468 174 K N 4.420 124.589 120.400 -0.386 0.000 2.447 174 K HA -0.054 4.274 4.320 0.014 0.000 0.281 174 K C 0.385 176.911 176.600 -0.123 0.000 1.031 174 K CA -0.068 55.994 56.287 -0.375 0.000 1.019 174 K CB 0.467 32.676 32.500 -0.485 0.000 0.918 174 K HN 0.480 nan 8.250 nan 0.000 0.476 175 L N 2.820 124.023 121.223 -0.033 0.000 2.362 175 L HA 0.124 4.473 4.340 0.014 0.000 0.204 175 L C 0.834 177.685 176.870 -0.031 0.000 1.060 175 L CA 0.381 55.206 54.840 -0.024 0.000 0.827 175 L CB 0.049 42.101 42.059 -0.011 0.000 1.027 175 L HN 0.808 nan 8.230 nan 0.000 0.474 176 T N -3.920 110.616 114.554 -0.030 0.000 2.883 176 T HA 0.677 5.036 4.350 0.014 0.000 0.301 176 T C -0.594 174.078 174.700 -0.047 0.000 1.158 176 T CA -0.712 61.361 62.100 -0.045 0.000 1.007 176 T CB 2.103 70.936 68.868 -0.059 0.000 1.186 176 T HN -0.109 nan 8.240 nan 0.000 0.499 177 S N 0.374 116.033 115.700 -0.068 0.000 2.668 177 S HA 0.737 5.215 4.470 0.014 0.000 0.277 177 S C -1.512 172.999 174.600 -0.148 0.000 1.170 177 S CA -0.780 57.364 58.200 -0.094 0.000 0.994 177 S CB 0.619 63.788 63.200 -0.051 0.000 1.051 177 S HN 0.799 nan 8.310 nan 0.000 0.484 178 R N 2.501 122.841 120.500 -0.266 0.000 2.522 178 R HA 0.311 4.659 4.340 0.014 0.000 0.283 178 R C -1.296 174.685 176.300 -0.532 0.000 1.074 178 R CA -0.452 55.428 56.100 -0.366 0.000 0.925 178 R CB 1.497 31.532 30.300 -0.442 0.000 1.205 178 R HN 0.638 nan 8.270 nan 0.000 0.436 179 E N 3.534 123.543 120.200 -0.318 0.000 2.104 179 E HA 0.076 4.434 4.350 0.014 0.000 0.278 179 E C -0.532 175.938 176.600 -0.217 0.000 1.127 179 E CA 0.119 56.371 56.400 -0.246 0.000 0.897 179 E CB 0.462 30.099 29.700 -0.106 0.000 1.043 179 E HN 0.319 nan 8.360 nan 0.000 0.410 180 Y N 1.767 121.991 120.300 -0.126 0.000 2.374 180 Y HA 0.241 4.799 4.550 0.014 0.000 0.322 180 Y C 0.809 176.469 175.900 -0.399 0.000 1.275 180 Y CA -1.220 56.719 58.100 -0.269 0.000 1.307 180 Y CB 0.879 39.158 38.460 -0.301 0.000 1.282 180 Y HN 0.409 nan 8.280 nan 0.000 0.509 181 E N 0.162 120.116 120.200 -0.411 0.000 2.331 181 E HA 0.581 4.940 4.350 0.014 0.000 0.275 181 E C -2.176 174.081 176.600 -0.572 0.000 0.895 181 E CA -0.943 55.215 56.400 -0.403 0.000 0.753 181 E CB 2.100 31.738 29.700 -0.104 0.000 1.216 181 E HN 0.455 nan 8.360 nan 0.000 0.434 182 Y N -0.060 120.303 120.300 0.105 0.000 2.545 182 Y HA 0.434 4.993 4.550 0.014 0.000 0.348 182 Y C -0.259 175.684 175.900 0.072 0.000 1.002 182 Y CA -1.241 56.907 58.100 0.080 0.000 1.039 182 Y CB 2.283 40.795 38.460 0.087 0.000 1.271 182 Y HN 0.508 nan 8.280 nan 0.000 0.467 183 V N 1.182 121.233 119.914 0.228 0.000 2.347 183 V HA 0.470 4.599 4.120 0.014 0.000 0.280 183 V C -0.244 175.925 176.094 0.124 0.000 1.021 183 V CA -0.941 61.444 62.300 0.143 0.000 0.847 183 V CB 0.623 32.500 31.823 0.091 0.000 0.990 183 V HN 0.510 nan 8.190 nan 0.000 0.444 184 I N 3.811 124.444 120.570 0.106 0.000 2.578 184 I HA 0.128 4.306 4.170 0.014 0.000 0.286 184 I C 0.921 177.065 176.117 0.045 0.000 1.126 184 I CA 0.753 62.096 61.300 0.071 0.000 1.380 184 I CB 0.038 38.075 38.000 0.061 0.000 1.408 184 I HN 0.722 nan 8.210 nan 0.000 0.532 185 S N 6.515 122.233 115.700 0.030 0.000 2.474 185 S HA 0.078 4.557 4.470 0.014 0.000 0.276 185 S C 0.456 175.061 174.600 0.009 0.000 1.227 185 S CA -0.645 57.565 58.200 0.018 0.000 1.050 185 S CB 0.357 63.562 63.200 0.009 0.000 0.939 185 S HN 0.406 nan 8.310 nan 0.000 0.490 186 E N 3.309 123.515 120.200 0.010 0.000 3.298 186 E HA -0.167 4.191 4.350 0.014 0.000 0.224 186 E C 0.072 176.673 176.600 0.000 0.000 1.033 186 E CA 0.678 57.082 56.400 0.006 0.000 0.929 186 E CB -0.745 28.958 29.700 0.005 0.000 0.920 186 E HN 0.792 nan 8.360 nan 0.000 0.564 187 D N 2.413 122.813 120.400 -0.000 0.000 4.028 187 D HA -0.211 4.438 4.640 0.014 0.000 0.233 187 D C -1.065 175.228 176.300 -0.012 0.000 1.080 187 D CA 0.954 54.951 54.000 -0.006 0.000 1.181 187 D CB -0.120 40.677 40.800 -0.006 0.000 0.815 187 D HN 0.291 nan 8.370 nan 0.000 0.401 188 E N 1.537 121.727 120.200 -0.017 0.000 2.288 188 E HA 0.474 4.832 4.350 0.014 0.000 0.268 188 E C -0.701 175.874 176.600 -0.041 0.000 0.885 188 E CA -0.824 55.559 56.400 -0.028 0.000 0.767 188 E CB 1.172 30.855 29.700 -0.029 0.000 1.220 188 E HN 0.266 nan 8.360 nan 0.000 0.427 189 D N 2.357 122.728 120.400 -0.048 0.000 2.895 189 D HA 0.116 4.765 4.640 0.014 0.000 0.258 189 D C -0.104 176.146 176.300 -0.084 0.000 1.311 189 D CA -0.129 53.834 54.000 -0.061 0.000 0.843 189 D CB 0.169 40.937 40.800 -0.053 0.000 1.055 189 D HN 0.049 nan 8.370 nan 0.000 0.486 190 R N 1.316 121.758 120.500 -0.096 0.000 2.531 190 R HA 0.291 4.640 4.340 0.014 0.000 0.273 190 R C -2.470 173.723 176.300 -0.179 0.000 1.070 190 R CA -1.623 54.401 56.100 -0.127 0.000 1.112 190 R CB 0.694 30.916 30.300 -0.129 0.000 1.049 190 R HN -0.136 nan 8.270 nan 0.000 0.508 191 P HA -0.002 nan 4.420 nan 0.000 0.263 191 P C -0.470 176.613 177.300 -0.361 0.000 1.195 191 P CA 0.337 63.179 63.100 -0.431 0.000 0.762 191 P CB 0.155 31.527 31.700 -0.547 0.000 0.799 192 F N 0.036 119.926 119.950 -0.100 0.000 2.545 192 F HA -0.346 4.189 4.527 0.014 0.000 0.690 192 F C 1.938 177.661 175.800 -0.129 0.000 0.488 192 F CA 1.556 59.508 58.000 -0.080 0.000 0.791 192 F CB -2.358 36.628 39.000 -0.024 0.000 1.653 192 F HN 0.113 nan 8.300 nan 0.000 0.266 193 V N 1.724 121.590 119.914 -0.079 0.000 2.392 193 V HA -0.317 3.812 4.120 0.014 0.000 0.249 193 V C 2.320 178.379 176.094 -0.058 0.000 1.059 193 V CA 2.650 64.847 62.300 -0.171 0.000 1.051 193 V CB -0.899 30.706 31.823 -0.364 0.000 0.658 193 V HN 0.648 nan 8.190 nan 0.000 0.455 194 K N 0.784 121.147 120.400 -0.062 0.000 2.211 194 K HA -0.253 4.076 4.320 0.014 0.000 0.204 194 K C 1.361 177.957 176.600 -0.008 0.000 1.047 194 K CA 2.383 58.647 56.287 -0.037 0.000 0.935 194 K CB -0.499 31.970 32.500 -0.051 0.000 0.728 194 K HN 0.501 nan 8.250 nan 0.000 0.452 195 D N 1.259 121.668 120.400 0.014 0.000 2.183 195 D HA 0.000 4.649 4.640 0.014 0.000 0.205 195 D C 1.638 177.965 176.300 0.045 0.000 0.962 195 D CA 0.753 54.773 54.000 0.034 0.000 0.849 195 D CB 0.009 40.846 40.800 0.062 0.000 0.978 195 D HN 0.117 nan 8.370 nan 0.000 0.488 196 L N 0.822 122.081 121.223 0.059 0.000 2.549 196 L HA 0.013 4.362 4.340 0.014 0.000 0.229 196 L C 0.270 177.171 176.870 0.051 0.000 1.158 196 L CA -0.014 54.867 54.840 0.069 0.000 0.842 196 L CB -0.409 41.718 42.059 0.113 0.000 0.952 196 L HN -0.068 nan 8.230 nan 0.000 0.452 197 V N 0.923 120.856 119.914 0.033 0.000 2.637 197 V HA 0.245 4.374 4.120 0.014 0.000 0.296 197 V C 1.457 177.564 176.094 0.022 0.000 1.046 197 V CA 0.717 63.033 62.300 0.025 0.000 1.066 197 V CB 0.671 32.502 31.823 0.013 0.000 0.968 197 V HN 0.582 nan 8.190 nan 0.000 0.483 198 G N 3.388 112.200 108.800 0.021 0.000 2.166 198 G HA2 -0.224 3.744 3.960 0.014 0.000 0.260 198 G HA3 -0.224 3.744 3.960 0.014 0.000 0.260 198 G C 0.239 175.149 174.900 0.016 0.000 0.986 198 G CA 0.137 45.247 45.100 0.016 0.000 0.683 198 G HN 0.550 nan 8.290 nan 0.000 0.527 199 K N 0.238 120.651 120.400 0.021 0.000 2.118 199 K HA 0.506 4.835 4.320 0.014 0.000 0.267 199 K C 0.328 176.935 176.600 0.012 0.000 0.991 199 K CA -0.556 55.742 56.287 0.018 0.000 0.916 199 K CB 1.959 34.476 32.500 0.027 0.000 1.041 199 K HN 0.340 nan 8.250 nan 0.000 0.455 200 K N 1.546 121.948 120.400 0.004 0.000 2.211 200 K HA 0.177 4.506 4.320 0.014 0.000 0.237 200 K C -0.347 176.245 176.600 -0.013 0.000 1.002 200 K CA -0.646 55.637 56.287 -0.007 0.000 0.885 200 K CB 1.363 33.859 32.500 -0.008 0.000 1.136 200 K HN 0.441 nan 8.250 nan 0.000 0.448 201 K N 0.463 120.845 120.400 -0.029 0.000 2.489 201 K HA -0.021 4.308 4.320 0.014 0.000 0.278 201 K C 0.438 177.024 176.600 -0.025 0.000 1.000 201 K CA 1.566 57.831 56.287 -0.037 0.000 1.012 201 K CB -0.073 32.390 32.500 -0.061 0.000 0.903 201 K HN 0.831 nan 8.250 nan 0.000 0.485 202 G N 2.950 111.737 108.800 -0.021 0.000 2.195 202 G HA2 -0.203 3.765 3.960 0.014 0.000 0.246 202 G HA3 -0.203 3.765 3.960 0.014 0.000 0.246 202 G C -0.190 174.704 174.900 -0.009 0.000 0.984 202 G CA 0.140 45.231 45.100 -0.015 0.000 0.633 202 G HN 0.728 nan 8.290 nan 0.000 0.525 203 D N -0.004 120.393 120.400 -0.005 0.000 2.382 203 D HA 0.478 5.127 4.640 0.014 0.000 0.240 203 D C 0.226 176.527 176.300 0.001 0.000 1.146 203 D CA 0.410 54.410 54.000 -0.000 0.000 0.897 203 D CB 2.036 42.840 40.800 0.005 0.000 1.197 203 D HN 0.348 nan 8.370 nan 0.000 0.432 204 V N 1.643 121.557 119.914 0.000 0.000 2.823 204 V HA 0.498 4.626 4.120 0.014 0.000 0.312 204 V C -1.061 175.036 176.094 0.005 0.000 1.072 204 V CA -0.509 61.789 62.300 -0.003 0.000 0.937 204 V CB 2.245 34.059 31.823 -0.016 0.000 1.013 204 V HN 0.249 nan 8.190 nan 0.000 0.430 205 V N 5.509 125.430 119.914 0.011 0.000 2.462 205 V HA 0.454 4.582 4.120 0.014 0.000 0.288 205 V C -0.246 175.867 176.094 0.032 0.000 1.020 205 V CA -0.546 61.771 62.300 0.028 0.000 0.857 205 V CB 1.420 33.276 31.823 0.054 0.000 1.013 205 V HN 0.960 nan 8.190 nan 0.000 0.431 206 E N 4.143 124.355 120.200 0.021 0.000 2.266 206 E HA 0.713 5.072 4.350 0.014 0.000 0.277 206 E C -1.242 175.389 176.600 0.052 0.000 1.018 206 E CA -0.493 55.921 56.400 0.024 0.000 0.840 206 E CB 1.342 31.040 29.700 -0.003 0.000 1.082 206 E HN 0.646 nan 8.360 nan 0.000 0.395 207 I N 3.005 123.629 120.570 0.089 0.000 2.534 207 I HA 0.256 4.435 4.170 0.014 0.000 0.288 207 I C -0.466 175.684 176.117 0.055 0.000 1.077 207 I CA -0.606 60.726 61.300 0.053 0.000 1.051 207 I CB 2.045 40.071 38.000 0.044 0.000 1.234 207 I HN 0.508 nan 8.210 nan 0.000 0.425 208 E N 4.911 125.119 120.200 0.014 0.000 2.227 208 E HA 0.782 5.140 4.350 0.014 0.000 0.268 208 E C -0.887 175.679 176.600 -0.057 0.000 0.990 208 E CA -0.710 55.707 56.400 0.027 0.000 0.856 208 E CB 1.531 31.235 29.700 0.008 0.000 1.159 208 E HN 0.427 nan 8.360 nan 0.000 0.401 209 R N 1.046 121.503 120.500 -0.072 0.000 2.634 209 R HA 0.276 4.625 4.340 0.014 0.000 0.263 209 R C -2.002 174.124 176.300 -0.290 0.000 1.060 209 R CA -0.526 55.439 56.100 -0.224 0.000 0.898 209 R CB 1.542 31.631 30.300 -0.352 0.000 1.253 209 R HN 0.570 nan 8.270 nan 0.000 0.461 210 E N 2.479 122.477 120.200 -0.335 0.000 2.224 210 E HA 0.442 4.801 4.350 0.014 0.000 0.265 210 E C -1.423 175.100 176.600 -0.127 0.000 0.878 210 E CA -0.650 55.618 56.400 -0.220 0.000 0.759 210 E CB 1.052 30.695 29.700 -0.094 0.000 1.164 210 E HN 0.466 nan 8.360 nan 0.000 0.414 211 Y N 2.140 122.555 120.300 0.193 0.000 2.326 211 Y HA 0.201 4.759 4.550 0.014 0.000 0.329 211 Y C -0.470 175.525 175.900 0.158 0.000 0.973 211 Y CA -1.506 56.721 58.100 0.211 0.000 1.162 211 Y CB 1.491 40.145 38.460 0.324 0.000 1.147 211 Y HN 0.611 nan 8.280 nan 0.000 0.456 212 E N 1.910 122.259 120.200 0.248 0.000 2.149 212 E HA -0.166 4.193 4.350 0.014 0.000 0.191 212 E C 1.277 177.940 176.600 0.105 0.000 1.384 212 E CA 1.587 58.075 56.400 0.147 0.000 0.698 212 E CB -1.285 28.495 29.700 0.133 0.000 1.086 212 E HN 1.081 nan 8.360 nan 0.000 0.338 213 G N -0.844 107.997 108.800 0.068 0.000 2.317 213 G HA2 -0.376 3.593 3.960 0.014 0.000 0.227 213 G HA3 -0.376 3.593 3.960 0.014 0.000 0.227 213 G C 0.257 175.137 174.900 -0.033 0.000 1.042 213 G CA 0.166 45.277 45.100 0.019 0.000 0.623 213 G HN 0.333 nan 8.290 nan 0.000 0.509 214 K N 1.391 121.760 120.400 -0.051 0.000 2.201 214 K HA 0.535 4.864 4.320 0.014 0.000 0.278 214 K C 0.039 176.371 176.600 -0.447 0.000 1.027 214 K CA -0.383 55.760 56.287 -0.241 0.000 0.909 214 K CB 1.326 33.673 32.500 -0.255 0.000 1.062 214 K HN 0.195 nan 8.250 nan 0.000 0.465 215 K N 2.191 122.323 120.400 -0.446 0.000 2.174 215 K HA 0.280 4.609 4.320 0.014 0.000 0.275 215 K C -1.066 175.206 176.600 -0.547 0.000 1.015 215 K CA -0.437 55.621 56.287 -0.382 0.000 0.933 215 K CB 0.656 33.050 32.500 -0.176 0.000 1.025 215 K HN 0.359 nan 8.250 nan 0.000 0.463 216 Y N 0.169 120.479 120.300 0.017 0.000 2.373 216 Y HA 0.233 4.791 4.550 0.014 0.000 0.336 216 Y C -0.153 175.876 175.900 0.217 0.000 0.979 216 Y CA -0.878 57.290 58.100 0.113 0.000 1.080 216 Y CB 2.108 40.669 38.460 0.169 0.000 1.190 216 Y HN 0.488 nan 8.280 nan 0.000 0.446 217 T N 2.318 117.074 114.554 0.337 0.000 2.902 217 T HA 0.538 4.897 4.350 0.014 0.000 0.283 217 T C -1.158 173.693 174.700 0.251 0.000 1.009 217 T CA -0.773 61.503 62.100 0.292 0.000 1.051 217 T CB 0.875 69.819 68.868 0.126 0.000 0.999 217 T HN 0.425 nan 8.240 nan 0.000 0.474 218 Y N 0.960 121.260 120.300 -0.000 0.000 2.332 218 Y HA 0.367 4.926 4.550 0.014 0.000 0.326 218 Y C 0.455 176.286 175.900 -0.114 0.000 0.978 218 Y CA -1.092 56.990 58.100 -0.030 0.000 1.205 218 Y CB 1.459 39.961 38.460 0.069 0.000 1.131 218 Y HN 0.307 nan 8.280 nan 0.000 0.462 219 K N 4.664 124.997 120.400 -0.113 0.000 2.281 219 K HA 0.422 4.750 4.320 0.014 0.000 0.272 219 K C -1.356 175.187 176.600 -0.096 0.000 1.048 219 K CA -0.794 55.403 56.287 -0.149 0.000 0.898 219 K CB 1.350 33.653 32.500 -0.327 0.000 1.128 219 K HN 0.432 nan 8.250 nan 0.000 0.460 220 L N 2.871 124.068 121.223 -0.044 0.000 2.287 220 L HA 0.273 4.622 4.340 0.014 0.000 0.287 220 L C -0.031 176.826 176.870 -0.021 0.000 1.022 220 L CA -0.057 54.758 54.840 -0.041 0.000 0.814 220 L CB 1.351 43.400 42.059 -0.017 0.000 1.217 220 L HN 0.543 nan 8.230 nan 0.000 0.420 221 E N 2.533 122.715 120.200 -0.029 0.000 2.158 221 E HA 0.408 4.766 4.350 0.014 0.000 0.271 221 E C -1.142 175.457 176.600 -0.002 0.000 0.911 221 E CA -0.760 55.630 56.400 -0.017 0.000 0.767 221 E CB 1.523 31.207 29.700 -0.025 0.000 1.120 221 E HN 0.306 nan 8.360 nan 0.000 0.405 222 V N 5.014 124.932 119.914 0.008 0.000 2.446 222 V HA -0.020 4.109 4.120 0.014 0.000 0.276 222 V C 0.904 176.993 176.094 -0.009 0.000 1.030 222 V CA 0.345 62.652 62.300 0.013 0.000 1.033 222 V CB 0.945 32.778 31.823 0.015 0.000 0.993 222 V HN 0.811 nan 8.190 nan 0.000 0.477 223 E N 2.942 123.136 120.200 -0.010 0.000 2.127 223 E HA 0.147 4.505 4.350 0.014 0.000 0.191 223 E C 0.510 177.073 176.600 -0.061 0.000 0.964 223 E CA 0.535 56.921 56.400 -0.024 0.000 0.832 223 E CB 0.428 30.123 29.700 -0.008 0.000 0.790 223 E HN 0.785 nan 8.360 nan 0.000 0.465 224 E N -1.554 118.592 120.200 -0.089 0.000 2.388 224 E HA 0.383 4.742 4.350 0.014 0.000 0.280 224 E C -1.927 174.500 176.600 -0.289 0.000 1.019 224 E CA -0.597 55.650 56.400 -0.256 0.000 0.806 224 E CB 1.682 31.128 29.700 -0.423 0.000 1.246 224 E HN -0.182 nan 8.360 nan 0.000 0.443 225 V N 4.230 123.914 119.914 -0.382 0.000 2.409 225 V HA 0.483 4.611 4.120 0.014 0.000 0.290 225 V C -0.914 175.022 176.094 -0.263 0.000 1.017 225 V CA -0.677 61.502 62.300 -0.203 0.000 0.841 225 V CB 0.506 32.280 31.823 -0.081 0.000 1.003 225 V HN 0.597 nan 8.190 nan 0.000 0.426 226 Y N 2.011 122.326 120.300 0.025 0.000 2.458 226 Y HA 0.528 5.086 4.550 0.014 0.000 0.322 226 Y C 0.540 176.453 175.900 0.023 0.000 1.259 226 Y CA -0.850 57.262 58.100 0.021 0.000 1.302 226 Y CB 1.076 39.547 38.460 0.019 0.000 1.314 226 Y HN 0.406 nan 8.280 nan 0.000 0.509 227 K N 2.001 122.516 120.400 0.191 0.000 2.263 227 K HA 0.371 4.700 4.320 0.014 0.000 0.272 227 K C -0.914 175.744 176.600 0.096 0.000 1.033 227 K CA -0.555 55.798 56.287 0.111 0.000 0.884 227 K CB 0.590 33.135 32.500 0.075 0.000 1.107 227 K HN 0.708 nan 8.250 nan 0.000 0.460 228 R N 2.190 122.735 120.500 0.076 0.000 2.265 228 R HA 0.188 4.537 4.340 0.014 0.000 0.314 228 R C -0.655 175.668 176.300 0.038 0.000 1.053 228 R CA -0.159 55.972 56.100 0.052 0.000 0.931 228 R CB 1.188 31.517 30.300 0.048 0.000 1.024 228 R HN 0.636 nan 8.270 nan 0.000 0.457 229 T N 1.072 115.644 114.554 0.030 0.000 3.066 229 T HA 0.274 4.633 4.350 0.014 0.000 0.318 229 T C -0.284 174.427 174.700 0.018 0.000 0.979 229 T CA -1.013 61.100 62.100 0.023 0.000 1.025 229 T CB 0.588 69.469 68.868 0.022 0.000 1.002 229 T HN 0.153 nan 8.240 nan 0.000 0.453 230 L N 4.684 125.916 121.223 0.015 0.000 2.540 230 L HA 0.328 4.676 4.340 0.014 0.000 0.276 230 L C -1.562 175.316 176.870 0.014 0.000 1.212 230 L CA -0.912 53.936 54.840 0.013 0.000 0.893 230 L CB -0.632 41.430 42.059 0.005 0.000 1.138 230 L HN 0.457 nan 8.230 nan 0.000 0.491 231 P HA 0.137 nan 4.420 nan 0.000 0.275 231 P C -0.750 176.557 177.300 0.012 0.000 1.228 231 P CA -0.745 62.365 63.100 0.018 0.000 0.786 231 P CB 0.622 32.339 31.700 0.028 0.000 0.927 232 E N 1.895 122.100 120.200 0.008 0.000 2.390 232 E HA 0.180 4.538 4.350 0.014 0.000 0.261 232 E C -0.253 176.347 176.600 0.001 0.000 1.076 232 E CA -0.637 55.765 56.400 0.003 0.000 0.905 232 E CB 0.178 29.880 29.700 0.002 0.000 0.984 232 E HN 0.321 nan 8.360 nan 0.000 0.427 233 I N 2.952 123.519 120.570 -0.005 0.000 2.455 233 I HA 0.168 4.346 4.170 0.014 0.000 0.303 233 I C 0.579 176.692 176.117 -0.007 0.000 1.180 233 I CA 0.272 61.566 61.300 -0.010 0.000 1.469 233 I CB -0.602 37.387 38.000 -0.018 0.000 1.480 233 I HN 0.591 nan 8.210 nan 0.000 0.669 234 G N 3.208 112.007 108.800 -0.002 0.000 3.105 234 G HA2 0.275 4.243 3.960 0.014 0.000 0.277 234 G HA3 0.275 4.243 3.960 0.014 0.000 0.277 234 G C -0.135 174.767 174.900 0.004 0.000 1.375 234 G CA -0.389 44.711 45.100 0.001 0.000 0.962 234 G HN 0.425 nan 8.290 nan 0.000 0.541 235 D N -0.607 119.798 120.400 0.009 0.000 2.310 235 D HA -0.040 4.608 4.640 0.014 0.000 0.212 235 D C 2.078 178.392 176.300 0.023 0.000 0.965 235 D CA 1.242 55.252 54.000 0.018 0.000 0.879 235 D CB 0.234 41.046 40.800 0.020 0.000 0.921 235 D HN 0.716 nan 8.370 nan 0.000 0.510 236 E N 0.463 120.673 120.200 0.016 0.000 2.208 236 E HA -0.137 4.221 4.350 0.014 0.000 0.193 236 E C 1.780 178.392 176.600 0.019 0.000 0.988 236 E CA 0.379 56.788 56.400 0.015 0.000 0.828 236 E CB -0.187 29.518 29.700 0.008 0.000 0.763 236 E HN 0.165 nan 8.360 nan 0.000 0.478 237 L N 1.045 122.282 121.223 0.023 0.000 2.201 237 L HA 0.063 4.412 4.340 0.014 0.000 0.212 237 L C 2.274 179.174 176.870 0.051 0.000 1.105 237 L CA 1.715 56.579 54.840 0.039 0.000 0.775 237 L CB -0.653 41.421 42.059 0.025 0.000 0.913 237 L HN 0.270 nan 8.230 nan 0.000 0.440 238 A N -0.278 122.566 122.820 0.040 0.000 1.841 238 A HA -0.223 4.106 4.320 0.014 0.000 0.214 238 A C 2.243 179.904 177.584 0.128 0.000 1.195 238 A CA 1.817 53.895 52.037 0.069 0.000 0.611 238 A CB -0.468 18.581 19.000 0.083 0.000 0.835 238 A HN 0.455 nan 8.150 nan 0.000 0.443 239 K N 0.375 120.828 120.400 0.088 0.000 2.077 239 K HA -0.178 4.151 4.320 0.014 0.000 0.213 239 K C 2.128 178.748 176.600 0.034 0.000 1.051 239 K CA 1.841 58.165 56.287 0.062 0.000 0.929 239 K CB -0.444 32.072 32.500 0.027 0.000 0.715 239 K HN 0.418 nan 8.250 nan 0.000 0.451 240 S N 0.624 116.323 115.700 -0.001 0.000 2.440 240 S HA -0.087 4.392 4.470 0.014 0.000 0.240 240 S C 1.075 175.614 174.600 -0.101 0.000 1.014 240 S CA 1.073 59.203 58.200 -0.116 0.000 0.980 240 S CB -0.057 63.064 63.200 -0.131 0.000 0.775 240 S HN 0.093 nan 8.310 nan 0.000 0.499 241 V N 2.230 122.207 119.914 0.106 0.000 2.611 241 V HA 0.366 4.494 4.120 0.014 0.000 0.286 241 V C -0.009 176.217 176.094 0.221 0.000 1.118 241 V CA -0.821 61.605 62.300 0.209 0.000 1.334 241 V CB -1.279 30.692 31.823 0.246 0.000 1.555 241 V HN 0.336 nan 8.190 nan 0.000 0.594 242 N N 1.183 119.956 118.700 0.120 0.000 6.901 242 N HA -0.216 4.532 4.740 0.014 0.000 0.422 242 N C 0.130 175.671 175.510 0.052 0.000 0.947 242 N CA 0.668 53.765 53.050 0.077 0.000 1.386 242 N CB -0.272 38.258 38.487 0.072 0.000 0.815 242 N HN 0.636 nan 8.380 nan 0.000 0.301 243 N N 0.923 119.604 118.700 -0.032 0.000 2.250 243 N HA -0.049 4.700 4.740 0.014 0.000 0.256 243 N C 0.707 176.056 175.510 -0.268 0.000 1.302 243 N CA 1.213 54.206 53.050 -0.096 0.000 0.894 243 N CB 0.285 38.716 38.487 -0.093 0.000 1.067 243 N HN 0.622 nan 8.380 nan 0.000 0.487 244 E N -1.826 118.201 120.200 -0.288 0.000 4.308 244 E HA -0.293 4.066 4.350 0.014 0.000 0.178 244 E C -0.461 175.908 176.600 -0.385 0.000 1.202 244 E CA 1.669 57.798 56.400 -0.451 0.000 2.440 244 E CB -1.068 28.163 29.700 -0.782 0.000 1.767 244 E HN 0.456 nan 8.360 nan 0.000 0.455 245 F N 1.191 121.146 119.950 0.009 0.000 2.412 245 F HA 0.374 4.909 4.527 0.014 0.000 0.348 245 F C 1.469 177.273 175.800 0.006 0.000 1.102 245 F CA 0.119 58.124 58.000 0.009 0.000 1.196 245 F CB 0.648 39.656 39.000 0.013 0.000 1.144 245 F HN 0.047 nan 8.300 nan 0.000 0.541 246 E N -0.125 120.174 120.200 0.164 0.000 2.421 246 E HA 0.064 4.423 4.350 0.014 0.000 0.209 246 E C -0.024 176.628 176.600 0.087 0.000 0.871 246 E CA 0.204 56.661 56.400 0.094 0.000 1.064 246 E CB 0.677 30.407 29.700 0.050 0.000 1.075 246 E HN 0.766 nan 8.360 nan 0.000 0.513 247 T N -1.191 113.422 114.554 0.098 0.000 2.940 247 T HA 0.239 4.598 4.350 0.014 0.000 0.288 247 T C 0.830 175.562 174.700 0.054 0.000 1.033 247 T CA -0.759 61.379 62.100 0.064 0.000 1.033 247 T CB 1.864 70.761 68.868 0.049 0.000 1.079 247 T HN -0.006 nan 8.240 nan 0.000 0.496 248 L N 0.802 122.038 121.223 0.022 0.000 2.027 248 L HA 0.070 4.419 4.340 0.014 0.000 0.206 248 L C 2.518 179.376 176.870 -0.021 0.000 1.074 248 L CA 1.862 56.696 54.840 -0.009 0.000 0.745 248 L CB -0.988 41.064 42.059 -0.012 0.000 0.898 248 L HN 0.955 nan 8.230 nan 0.000 0.433 249 E N -0.966 119.233 120.200 -0.002 0.000 2.233 249 E HA -0.333 4.025 4.350 0.014 0.000 0.199 249 E C 2.065 178.670 176.600 0.009 0.000 1.004 249 E CA 1.459 57.859 56.400 0.001 0.000 0.819 249 E CB 0.040 29.747 29.700 0.011 0.000 0.738 249 E HN 0.587 nan 8.360 nan 0.000 0.478 250 Q N 0.477 120.298 119.800 0.035 0.000 2.096 250 Q HA -0.095 4.253 4.340 0.014 0.000 0.197 250 Q C 2.116 178.116 176.000 -0.001 0.000 0.964 250 Q CA 0.904 56.761 55.803 0.089 0.000 0.838 250 Q CB -0.437 28.410 28.738 0.182 0.000 0.906 250 Q HN 0.338 nan 8.270 nan 0.000 0.444 251 L N 0.672 121.793 121.223 -0.170 0.000 2.012 251 L HA -0.167 4.182 4.340 0.014 0.000 0.210 251 L C 1.997 178.670 176.870 -0.328 0.000 1.073 251 L CA 1.998 56.512 54.840 -0.543 0.000 0.748 251 L CB -0.470 41.336 42.059 -0.422 0.000 0.891 251 L HN 0.109 nan 8.230 nan 0.000 0.431 252 K N -0.522 119.780 120.400 -0.165 0.000 2.044 252 K HA -0.276 4.053 4.320 0.014 0.000 0.210 252 K C 2.081 178.648 176.600 -0.055 0.000 1.049 252 K CA 1.940 58.169 56.287 -0.097 0.000 0.927 252 K CB -0.277 32.189 32.500 -0.058 0.000 0.713 252 K HN 0.555 nan 8.250 nan 0.000 0.443 253 E N 0.575 120.757 120.200 -0.029 0.000 2.035 253 E HA -0.284 4.075 4.350 0.014 0.000 0.204 253 E C 2.037 178.649 176.600 0.021 0.000 1.025 253 E CA 1.951 58.358 56.400 0.013 0.000 0.835 253 E CB -0.226 29.501 29.700 0.045 0.000 0.764 253 E HN 0.192 nan 8.360 nan 0.000 0.457 254 S N 0.076 115.786 115.700 0.016 0.000 2.372 254 S HA -0.205 4.274 4.470 0.014 0.000 0.227 254 S C 2.127 176.744 174.600 0.028 0.000 1.044 254 S CA 1.712 59.944 58.200 0.052 0.000 1.050 254 S CB -0.450 62.772 63.200 0.037 0.000 0.901 254 S HN 0.401 nan 8.310 nan 0.000 0.447 255 L N 0.746 121.952 121.223 -0.027 0.000 2.141 255 L HA -0.030 4.318 4.340 0.014 0.000 0.209 255 L C 2.753 179.719 176.870 0.160 0.000 1.094 255 L CA 1.484 56.350 54.840 0.044 0.000 0.763 255 L CB -0.467 41.562 42.059 -0.049 0.000 0.908 255 L HN 0.393 nan 8.230 nan 0.000 0.437 256 K N 0.838 121.293 120.400 0.092 0.000 1.985 256 K HA -0.203 4.126 4.320 0.014 0.000 0.210 256 K C 2.115 178.749 176.600 0.056 0.000 1.047 256 K CA 1.464 57.801 56.287 0.083 0.000 0.932 256 K CB 0.046 32.569 32.500 0.038 0.000 0.716 256 K HN 0.124 nan 8.250 nan 0.000 0.439 257 K N 0.529 120.960 120.400 0.052 0.000 2.113 257 K HA -0.230 4.099 4.320 0.014 0.000 0.208 257 K C 2.118 178.745 176.600 0.045 0.000 1.047 257 K CA 1.750 58.065 56.287 0.046 0.000 0.928 257 K CB -0.093 32.441 32.500 0.057 0.000 0.716 257 K HN 0.381 nan 8.250 nan 0.000 0.446 258 E N 0.060 120.306 120.200 0.076 0.000 2.208 258 E HA -0.109 4.250 4.350 0.014 0.000 0.193 258 E C 1.929 178.536 176.600 0.011 0.000 0.988 258 E CA 0.924 57.375 56.400 0.085 0.000 0.828 258 E CB 0.092 29.883 29.700 0.153 0.000 0.763 258 E HN 0.390 nan 8.360 nan 0.000 0.478 259 G N 1.078 109.835 108.800 -0.071 0.000 2.441 259 G HA2 -0.196 3.773 3.960 0.014 0.000 0.212 259 G HA3 -0.196 3.773 3.960 0.014 0.000 0.212 259 G C 1.534 176.283 174.900 -0.252 0.000 1.164 259 G CA 0.461 45.266 45.100 -0.491 0.000 0.811 259 G HN 0.152 nan 8.290 nan 0.000 0.535 260 K N 0.568 120.904 120.400 -0.107 0.000 2.160 260 K HA -0.152 4.177 4.320 0.014 0.000 0.206 260 K C 2.178 178.803 176.600 0.042 0.000 1.047 260 K CA 1.719 58.007 56.287 0.002 0.000 0.930 260 K CB -0.144 32.365 32.500 0.014 0.000 0.720 260 K HN 0.456 nan 8.250 nan 0.000 0.450 261 E N 0.199 120.399 120.200 -0.000 0.000 2.017 261 E HA -0.214 4.145 4.350 0.014 0.000 0.193 261 E C 1.914 178.511 176.600 -0.005 0.000 0.997 261 E CA 1.375 57.778 56.400 0.004 0.000 0.804 261 E CB -0.113 29.592 29.700 0.007 0.000 0.757 261 E HN 0.278 nan 8.360 nan 0.000 0.448 262 I N 0.542 121.089 120.570 -0.038 0.000 2.454 262 I HA -0.214 3.964 4.170 0.014 0.000 0.254 262 I C 1.860 177.974 176.117 -0.006 0.000 1.156 262 I CA 1.088 62.364 61.300 -0.039 0.000 1.433 262 I CB -0.432 37.520 38.000 -0.080 0.000 1.082 262 I HN 0.272 nan 8.210 nan 0.000 0.432 263 Y N 1.279 121.492 120.300 -0.145 0.000 2.130 263 Y HA -0.184 4.374 4.550 0.014 0.000 0.287 263 Y C 2.181 178.037 175.900 -0.074 0.000 1.124 263 Y CA 1.819 59.850 58.100 -0.116 0.000 1.118 263 Y CB -0.663 37.721 38.460 -0.127 0.000 0.994 263 Y HN 0.181 nan 8.280 nan 0.000 0.497 264 D N -0.339 120.020 120.400 -0.068 0.000 2.239 264 D HA -0.202 4.446 4.640 0.014 0.000 0.202 264 D C 2.263 178.462 176.300 -0.169 0.000 0.993 264 D CA 1.453 55.354 54.000 -0.166 0.000 0.874 264 D CB -0.450 40.332 40.800 -0.030 0.000 0.922 264 D HN 0.374 nan 8.370 nan 0.000 0.464 265 V N 0.282 120.128 119.914 -0.113 0.000 2.379 265 V HA -0.112 4.017 4.120 0.014 0.000 0.243 265 V C 1.880 177.905 176.094 -0.115 0.000 1.035 265 V CA 1.422 63.667 62.300 -0.091 0.000 1.035 265 V CB 0.042 31.838 31.823 -0.045 0.000 0.673 265 V HN 0.057 nan 8.190 nan 0.000 0.457 266 E N -0.828 119.299 120.200 -0.122 0.000 2.158 266 E HA -0.155 4.203 4.350 0.014 0.000 0.191 266 E C 1.900 178.409 176.600 -0.152 0.000 0.982 266 E CA 1.366 57.704 56.400 -0.104 0.000 0.823 266 E CB 0.015 29.682 29.700 -0.056 0.000 0.766 266 E HN 0.530 nan 8.360 nan 0.000 0.468 267 M N 0.869 120.297 119.600 -0.286 0.000 2.299 267 M HA -0.022 4.466 4.480 0.014 0.000 0.264 267 M C 2.006 178.152 176.300 -0.257 0.000 1.095 267 M CA 1.428 56.526 55.300 -0.337 0.000 1.165 267 M CB 0.146 32.288 32.600 -0.763 0.000 1.349 267 M HN -0.218 nan 8.290 nan 0.000 0.446 268 K N 0.034 120.273 120.400 -0.268 0.000 2.034 268 K HA -0.303 4.026 4.320 0.014 0.000 0.214 268 K C 1.956 178.483 176.600 -0.123 0.000 1.051 268 K CA 2.286 58.470 56.287 -0.172 0.000 0.931 268 K CB -0.346 32.066 32.500 -0.146 0.000 0.715 268 K HN 0.332 nan 8.250 nan 0.000 0.446 269 E N 0.482 120.613 120.200 -0.114 0.000 2.097 269 E HA -0.205 4.154 4.350 0.014 0.000 0.196 269 E C 1.917 178.471 176.600 -0.077 0.000 1.000 269 E CA 1.941 58.288 56.400 -0.088 0.000 0.804 269 E CB -0.566 29.085 29.700 -0.082 0.000 0.740 269 E HN 0.322 nan 8.360 nan 0.000 0.454 270 S N -1.028 114.623 115.700 -0.083 0.000 2.356 270 S HA -0.176 4.302 4.470 0.014 0.000 0.223 270 S C 2.015 176.582 174.600 -0.055 0.000 1.032 270 S CA 1.710 59.873 58.200 -0.062 0.000 1.005 270 S CB -0.278 62.886 63.200 -0.060 0.000 0.867 270 S HN 0.372 nan 8.310 nan 0.000 0.449 271 M N 0.637 120.197 119.600 -0.067 0.000 2.065 271 M HA -0.116 4.372 4.480 0.014 0.000 0.259 271 M C 2.549 178.820 176.300 -0.047 0.000 1.069 271 M CA 1.632 56.899 55.300 -0.054 0.000 1.110 271 M CB -0.535 32.028 32.600 -0.062 0.000 1.328 271 M HN 0.286 nan 8.290 nan 0.000 0.405 272 R N 0.296 120.763 120.500 -0.055 0.000 2.136 272 R HA -0.236 4.112 4.340 0.014 0.000 0.242 272 R C 2.074 178.350 176.300 -0.040 0.000 1.131 272 R CA 2.223 58.292 56.100 -0.051 0.000 0.937 272 R CB -0.661 29.603 30.300 -0.059 0.000 0.863 272 R HN 0.505 nan 8.270 nan 0.000 0.435 273 E N 0.248 120.425 120.200 -0.039 0.000 2.086 273 E HA -0.274 4.084 4.350 0.014 0.000 0.200 273 E C 2.169 178.758 176.600 -0.019 0.000 1.012 273 E CA 2.016 58.399 56.400 -0.027 0.000 0.812 273 E CB -0.060 29.623 29.700 -0.028 0.000 0.743 273 E HN 0.543 nan 8.360 nan 0.000 0.453 274 Q N 0.273 120.061 119.800 -0.020 0.000 2.245 274 Q HA -0.081 4.268 4.340 0.014 0.000 0.201 274 Q C 2.292 178.285 176.000 -0.012 0.000 0.955 274 Q CA 0.572 56.367 55.803 -0.013 0.000 0.870 274 Q CB -0.252 28.479 28.738 -0.012 0.000 0.945 274 Q HN 0.206 nan 8.270 nan 0.000 0.461 275 L N 0.995 122.208 121.223 -0.017 0.000 2.079 275 L HA -0.143 4.206 4.340 0.014 0.000 0.210 275 L C 2.028 178.891 176.870 -0.011 0.000 1.081 275 L CA 1.364 56.194 54.840 -0.016 0.000 0.752 275 L CB -0.513 41.532 42.059 -0.024 0.000 0.896 275 L HN 0.296 nan 8.230 nan 0.000 0.433 276 L N -0.243 120.973 121.223 -0.011 0.000 2.072 276 L HA -0.124 4.224 4.340 0.014 0.000 0.205 276 L C 2.377 179.251 176.870 0.007 0.000 1.079 276 L CA 1.633 56.472 54.840 -0.001 0.000 0.752 276 L CB -0.754 41.305 42.059 -0.000 0.000 0.906 276 L HN 0.387 nan 8.230 nan 0.000 0.436 277 E N -0.509 119.693 120.200 0.004 0.000 2.219 277 E HA -0.254 4.104 4.350 0.014 0.000 0.198 277 E C 1.434 178.039 176.600 0.008 0.000 0.998 277 E CA 1.267 57.672 56.400 0.008 0.000 0.818 277 E CB -0.035 29.668 29.700 0.005 0.000 0.741 277 E HN 0.480 nan 8.360 nan 0.000 0.477 278 K N -0.319 120.084 120.400 0.005 0.000 2.402 278 K HA 0.166 4.495 4.320 0.014 0.000 0.204 278 K C 1.578 178.180 176.600 0.004 0.000 1.056 278 K CA -0.200 56.090 56.287 0.004 0.000 1.069 278 K CB 0.552 33.053 32.500 0.001 0.000 0.888 278 K HN -0.011 nan 8.250 nan 0.000 0.546 279 L N 1.370 122.596 121.223 0.006 0.000 2.013 279 L HA -0.192 4.156 4.340 0.014 0.000 0.212 279 L C -0.987 175.888 176.870 0.008 0.000 1.073 279 L CA 1.846 56.691 54.840 0.007 0.000 0.753 279 L CB -1.115 40.950 42.059 0.011 0.000 0.890 279 L HN 0.048 nan 8.230 nan 0.000 0.432 280 P HA -0.210 nan 4.420 nan 0.000 0.218 280 P C 1.221 178.525 177.300 0.006 0.000 1.146 280 P CA 1.330 64.435 63.100 0.009 0.000 0.820 280 P CB 0.029 31.735 31.700 0.009 0.000 0.778 281 E N -0.506 119.697 120.200 0.005 0.000 2.058 281 E HA -0.194 4.165 4.350 0.014 0.000 0.194 281 E C 1.700 178.301 176.600 0.003 0.000 0.997 281 E CA 1.403 57.805 56.400 0.004 0.000 0.801 281 E CB -0.637 29.065 29.700 0.003 0.000 0.746 281 E HN 0.391 nan 8.360 nan 0.000 0.450 282 I N -2.085 118.487 120.570 0.003 0.000 3.684 282 I HA 0.083 4.261 4.170 0.014 0.000 0.304 282 I C -0.049 176.070 176.117 0.004 0.000 1.278 282 I CA -0.106 61.195 61.300 0.003 0.000 1.272 282 I CB 0.484 38.485 38.000 0.001 0.000 1.029 282 I HN -0.262 nan 8.210 nan 0.000 0.458 283 V N 1.304 121.221 119.914 0.006 0.000 2.732 283 V HA 0.543 4.671 4.120 0.014 0.000 0.310 283 V C -0.315 175.783 176.094 0.006 0.000 1.053 283 V CA -0.606 61.699 62.300 0.008 0.000 0.957 283 V CB 1.674 33.504 31.823 0.012 0.000 1.018 283 V HN 0.368 nan 8.190 nan 0.000 0.452 284 E N 3.114 123.318 120.200 0.007 0.000 2.307 284 E HA 0.584 4.942 4.350 0.014 0.000 0.280 284 E C -1.719 174.885 176.600 0.007 0.000 0.900 284 E CA -0.535 55.868 56.400 0.005 0.000 0.790 284 E CB 2.067 31.769 29.700 0.004 0.000 1.261 284 E HN 0.765 nan 8.360 nan 0.000 0.405 285 I N -0.060 120.514 120.570 0.007 0.000 2.892 285 I HA 0.593 4.772 4.170 0.014 0.000 0.306 285 I C -0.533 175.588 176.117 0.007 0.000 1.078 285 I CA -0.947 60.358 61.300 0.009 0.000 1.032 285 I CB 2.174 40.181 38.000 0.012 0.000 1.229 285 I HN 0.209 nan 8.210 nan 0.000 0.435 286 E N 4.048 124.253 120.200 0.008 0.000 2.089 286 E HA 0.520 4.879 4.350 0.014 0.000 0.284 286 E C -1.295 175.312 176.600 0.012 0.000 1.023 286 E CA -0.217 56.188 56.400 0.008 0.000 0.819 286 E CB 1.976 31.680 29.700 0.006 0.000 1.076 286 E HN 0.628 nan 8.360 nan 0.000 0.396 287 I N 1.516 122.093 120.570 0.012 0.000 2.656 287 I HA 0.151 4.330 4.170 0.014 0.000 0.292 287 I C -0.437 175.693 176.117 0.021 0.000 1.144 287 I CA -0.422 60.890 61.300 0.019 0.000 1.038 287 I CB 1.967 39.974 38.000 0.012 0.000 1.244 287 I HN 0.268 nan 8.210 nan 0.000 0.420 288 S N 5.204 120.928 115.700 0.040 0.000 2.516 288 S HA 0.052 4.531 4.470 0.014 0.000 0.282 288 S C 1.088 175.707 174.600 0.033 0.000 1.286 288 S CA 0.195 58.420 58.200 0.042 0.000 1.066 288 S CB 0.474 63.719 63.200 0.075 0.000 0.884 288 S HN 0.843 nan 8.310 nan 0.000 0.491 289 D N 3.384 123.794 120.400 0.016 0.000 2.170 289 D HA -0.237 4.412 4.640 0.014 0.000 0.193 289 D C 1.809 178.112 176.300 0.006 0.000 1.004 289 D CA 1.478 55.480 54.000 0.004 0.000 0.860 289 D CB 0.004 40.804 40.800 -0.001 0.000 0.931 289 D HN 0.712 nan 8.370 nan 0.000 0.448 290 R N 0.178 120.697 120.500 0.031 0.000 2.075 290 R HA -0.051 4.297 4.340 0.014 0.000 0.232 290 R C 2.327 178.642 176.300 0.025 0.000 1.126 290 R CA 2.051 58.176 56.100 0.041 0.000 0.963 290 R CB -1.036 29.313 30.300 0.082 0.000 0.858 290 R HN 0.079 nan 8.270 nan 0.000 0.435 291 T N 1.739 116.330 114.554 0.063 0.000 2.620 291 T HA -0.218 4.140 4.350 0.014 0.000 0.267 291 T C 1.758 176.396 174.700 -0.103 0.000 1.044 291 T CA 1.878 63.931 62.100 -0.079 0.000 1.161 291 T CB -0.378 68.510 68.868 0.035 0.000 0.862 291 T HN 0.139 nan 8.240 nan 0.000 0.438 292 L N 0.561 121.753 121.223 -0.052 0.000 1.943 292 L HA -0.150 4.199 4.340 0.014 0.000 0.215 292 L C 2.893 179.719 176.870 -0.073 0.000 1.074 292 L CA 1.792 56.594 54.840 -0.062 0.000 0.759 292 L CB -0.663 41.368 42.059 -0.046 0.000 0.888 292 L HN 0.337 nan 8.230 nan 0.000 0.433 293 E N 0.263 120.428 120.200 -0.057 0.000 2.187 293 E HA -0.266 4.093 4.350 0.014 0.000 0.199 293 E C 2.147 178.704 176.600 -0.072 0.000 1.004 293 E CA 1.358 57.722 56.400 -0.060 0.000 0.813 293 E CB -0.044 29.632 29.700 -0.041 0.000 0.736 293 E HN 0.454 nan 8.360 nan 0.000 0.468 294 I N 0.451 120.970 120.570 -0.085 0.000 2.094 294 I HA -0.317 3.861 4.170 0.014 0.000 0.234 294 I C 2.413 178.466 176.117 -0.106 0.000 1.063 294 I CA 0.862 62.101 61.300 -0.102 0.000 1.328 294 I CB -0.292 37.619 38.000 -0.149 0.000 1.058 294 I HN 0.133 nan 8.210 nan 0.000 0.400 295 L N 0.162 121.312 121.223 -0.121 0.000 2.230 295 L HA -0.304 4.045 4.340 0.014 0.000 0.217 295 L C 2.477 179.291 176.870 -0.093 0.000 1.090 295 L CA 1.078 55.855 54.840 -0.105 0.000 0.771 295 L CB -0.897 41.101 42.059 -0.101 0.000 0.892 295 L HN 0.191 nan 8.230 nan 0.000 0.438 296 V N -0.027 119.829 119.914 -0.098 0.000 2.261 296 V HA -0.267 3.862 4.120 0.014 0.000 0.246 296 V C 2.209 178.244 176.094 -0.097 0.000 1.047 296 V CA 2.143 64.377 62.300 -0.109 0.000 1.015 296 V CB -0.601 31.150 31.823 -0.119 0.000 0.642 296 V HN 0.527 nan 8.190 nan 0.000 0.446 297 N N 0.087 118.734 118.700 -0.088 0.000 2.166 297 N HA -0.189 4.560 4.740 0.014 0.000 0.186 297 N C 1.836 177.300 175.510 -0.077 0.000 1.019 297 N CA 1.237 54.238 53.050 -0.082 0.000 0.856 297 N CB -0.438 38.006 38.487 -0.072 0.000 0.993 297 N HN 0.578 nan 8.380 nan 0.000 0.426 298 E N 0.209 120.364 120.200 -0.076 0.000 2.396 298 E HA -0.088 4.271 4.350 0.014 0.000 0.200 298 E C 1.149 177.715 176.600 -0.056 0.000 1.023 298 E CA 0.665 57.024 56.400 -0.068 0.000 0.857 298 E CB 0.162 29.816 29.700 -0.077 0.000 0.775 298 E HN 0.388 nan 8.360 nan 0.000 0.525 299 A N 0.154 122.941 122.820 -0.055 0.000 1.969 299 A HA 0.115 4.443 4.320 0.014 0.000 0.205 299 A C 1.922 179.500 177.584 -0.010 0.000 1.364 299 A CA -0.113 51.906 52.037 -0.029 0.000 0.756 299 A CB -0.267 18.715 19.000 -0.031 0.000 0.988 299 A HN 0.147 nan 8.150 nan 0.000 0.490 300 I N 0.824 121.375 120.570 -0.031 0.000 2.091 300 I HA -0.360 3.818 4.170 0.014 0.000 0.239 300 I C 2.313 178.350 176.117 -0.134 0.000 1.061 300 I CA 1.595 62.869 61.300 -0.042 0.000 1.317 300 I CB -0.716 37.213 38.000 -0.118 0.000 1.031 300 I HN 0.367 nan 8.210 nan 0.000 0.401 301 N N 0.974 119.590 118.700 -0.139 0.000 2.027 301 N HA -0.277 4.472 4.740 0.014 0.000 0.200 301 N C 1.912 177.382 175.510 -0.066 0.000 1.042 301 N CA 1.652 54.629 53.050 -0.121 0.000 0.871 301 N CB -0.551 37.883 38.487 -0.088 0.000 1.063 301 N HN 0.316 nan 8.380 nan 0.000 0.438 302 R N 1.000 121.477 120.500 -0.038 0.000 2.397 302 R HA -0.041 4.308 4.340 0.014 0.000 0.213 302 R C 1.907 178.216 176.300 0.016 0.000 1.102 302 R CA 0.380 56.473 56.100 -0.012 0.000 1.040 302 R CB -0.063 30.230 30.300 -0.012 0.000 0.844 302 R HN 0.272 nan 8.270 nan 0.000 0.478 303 L N -0.377 120.864 121.223 0.030 0.000 2.145 303 L HA -0.035 4.313 4.340 0.014 0.000 0.201 303 L C 1.906 178.833 176.870 0.095 0.000 1.075 303 L CA 0.978 55.872 54.840 0.090 0.000 0.773 303 L CB -0.140 42.030 42.059 0.185 0.000 0.936 303 L HN 0.028 nan 8.230 nan 0.000 0.451 304 K N 0.102 120.539 120.400 0.062 0.000 2.362 304 K HA -0.170 4.158 4.320 0.014 0.000 0.202 304 K C 1.867 178.492 176.600 0.043 0.000 1.045 304 K CA 0.969 57.298 56.287 0.071 0.000 0.936 304 K CB -0.179 32.322 32.500 0.001 0.000 0.747 304 K HN 0.226 nan 8.250 nan 0.000 0.467 305 R N 0.769 121.285 120.500 0.025 0.000 2.339 305 R HA -0.065 4.284 4.340 0.014 0.000 0.199 305 R C 0.306 176.621 176.300 0.024 0.000 1.018 305 R CA 0.787 56.898 56.100 0.018 0.000 1.036 305 R CB 0.186 30.490 30.300 0.007 0.000 0.899 305 R HN 0.202 nan 8.270 nan 0.000 0.473 306 E N -1.702 118.520 120.200 0.037 0.000 2.810 306 E HA 0.194 4.553 4.350 0.014 0.000 0.214 306 E C 0.623 177.245 176.600 0.037 0.000 0.980 306 E CA 0.384 56.804 56.400 0.033 0.000 1.159 306 E CB 1.521 31.240 29.700 0.032 0.000 1.047 306 E HN 0.241 nan 8.360 nan 0.000 0.484 307 G N 1.583 110.412 108.800 0.048 0.000 2.302 307 G HA2 -0.472 3.497 3.960 0.014 0.000 0.263 307 G HA3 -0.472 3.497 3.960 0.014 0.000 0.263 307 G C 1.334 176.268 174.900 0.058 0.000 0.995 307 G CA 0.825 45.955 45.100 0.050 0.000 0.622 307 G HN 0.319 nan 8.290 nan 0.000 0.538 308 R N -0.963 119.575 120.500 0.062 0.000 2.117 308 R HA -0.178 4.171 4.340 0.014 0.000 0.243 308 R C 2.175 178.505 176.300 0.051 0.000 1.143 308 R CA 1.831 57.961 56.100 0.049 0.000 0.968 308 R CB -0.564 29.773 30.300 0.063 0.000 0.863 308 R HN 0.596 nan 8.270 nan 0.000 0.444 309 Y N 2.312 122.598 120.300 -0.023 0.000 2.151 309 Y HA -0.259 4.300 4.550 0.015 0.000 0.284 309 Y C 1.983 177.830 175.900 -0.089 0.000 1.166 309 Y CA 1.560 59.631 58.100 -0.048 0.000 1.163 309 Y CB -0.191 38.271 38.460 0.002 0.000 0.974 309 Y HN 0.092 nan 8.280 nan 0.000 0.511 310 E N -0.215 119.884 120.200 -0.167 0.000 2.038 310 E HA -0.308 4.051 4.350 0.014 0.000 0.195 310 E C 2.077 178.526 176.600 -0.252 0.000 1.000 310 E CA 1.918 58.178 56.400 -0.233 0.000 0.803 310 E CB -0.209 29.443 29.700 -0.079 0.000 0.750 310 E HN 0.665 nan 8.360 nan 0.000 0.448 311 Q N 0.622 120.319 119.800 -0.172 0.000 1.993 311 Q HA -0.160 4.188 4.340 0.014 0.000 0.202 311 Q C 2.330 178.192 176.000 -0.231 0.000 0.984 311 Q CA 1.463 57.169 55.803 -0.162 0.000 0.837 311 Q CB -0.314 28.359 28.738 -0.108 0.000 0.902 311 Q HN 0.294 nan 8.270 nan 0.000 0.423 312 I N 0.164 120.582 120.570 -0.254 0.000 2.113 312 I HA -0.317 3.862 4.170 0.014 0.000 0.242 312 I C 2.394 178.233 176.117 -0.463 0.000 1.064 312 I CA 1.187 62.298 61.300 -0.315 0.000 1.320 312 I CB -0.534 37.309 38.000 -0.263 0.000 1.028 312 I HN 0.132 nan 8.210 nan 0.000 0.406 313 V N 0.303 119.824 119.914 -0.655 0.000 2.392 313 V HA -0.221 3.907 4.120 0.014 0.000 0.249 313 V C 1.589 177.517 176.094 -0.277 0.000 1.059 313 V CA 2.045 63.987 62.300 -0.597 0.000 1.051 313 V CB -0.206 31.108 31.823 -0.848 0.000 0.658 313 V HN 0.399 nan 8.190 nan 0.000 0.455 314 S N 0.541 116.077 115.700 -0.274 0.000 3.324 314 S HA 0.211 4.690 4.470 0.014 0.000 0.229 314 S C 0.787 175.286 174.600 -0.169 0.000 1.417 314 S CA 0.472 58.566 58.200 -0.177 0.000 1.211 314 S CB -0.024 63.081 63.200 -0.159 0.000 1.157 314 S HN 0.886 nan 8.310 nan 0.000 0.491 315 S N -1.533 114.048 115.700 -0.197 0.000 2.583 315 S HA 0.264 4.742 4.470 0.014 0.000 0.264 315 S C -0.256 174.168 174.600 -0.294 0.000 1.008 315 S CA -0.410 57.633 58.200 -0.261 0.000 1.435 315 S CB -0.068 62.919 63.200 -0.355 0.000 1.236 315 S HN 0.377 nan 8.310 nan 0.000 0.669 316 Y N 2.769 123.031 120.300 -0.062 0.000 2.534 316 Y HA 0.561 5.120 4.550 0.014 0.000 0.329 316 Y C 1.658 177.554 175.900 -0.007 0.000 1.154 316 Y CA -1.023 57.072 58.100 -0.008 0.000 1.192 316 Y CB 0.754 39.239 38.460 0.042 0.000 1.275 316 Y HN -0.005 nan 8.280 nan 0.000 0.491 317 E N 0.242 120.562 120.200 0.200 0.000 2.051 317 E HA -0.094 4.265 4.350 0.014 0.000 0.192 317 E C 0.076 176.728 176.600 0.086 0.000 0.991 317 E CA 1.363 57.826 56.400 0.105 0.000 0.799 317 E CB 0.107 29.860 29.700 0.088 0.000 0.748 317 E HN 0.270 nan 8.360 nan 0.000 0.449 318 S N -1.159 114.604 115.700 0.105 0.000 2.537 318 S HA 0.066 4.545 4.470 0.014 0.000 0.270 318 S C 0.234 174.900 174.600 0.110 0.000 1.142 318 S CA -0.714 57.535 58.200 0.083 0.000 0.870 318 S CB 1.500 64.736 63.200 0.059 0.000 1.112 318 S HN 0.275 nan 8.310 nan 0.000 0.466 319 E N 1.930 122.198 120.200 0.113 0.000 2.171 319 E HA -0.222 4.137 4.350 0.014 0.000 0.197 319 E C 1.289 177.996 176.600 0.177 0.000 0.997 319 E CA 1.398 57.907 56.400 0.180 0.000 0.810 319 E CB -0.176 29.636 29.700 0.186 0.000 0.738 319 E HN 0.752 nan 8.360 nan 0.000 0.467 320 E N 0.987 121.245 120.200 0.096 0.000 2.150 320 E HA -0.157 4.202 4.350 0.014 0.000 0.193 320 E C 1.726 178.327 176.600 0.003 0.000 0.985 320 E CA 0.745 57.172 56.400 0.044 0.000 0.814 320 E CB 0.201 29.918 29.700 0.029 0.000 0.752 320 E HN 0.176 nan 8.360 nan 0.000 0.466 321 K N 0.107 120.514 120.400 0.011 0.000 2.155 321 K HA -0.109 4.219 4.320 0.014 0.000 0.203 321 K C 1.962 178.463 176.600 -0.166 0.000 1.052 321 K CA 0.515 56.775 56.287 -0.045 0.000 0.948 321 K CB -0.421 32.081 32.500 0.003 0.000 0.728 321 K HN 0.163 nan 8.250 nan 0.000 0.448 322 F N 2.707 122.457 119.950 -0.334 0.000 2.022 322 F HA -0.124 4.412 4.527 0.014 0.000 0.293 322 F C 2.542 178.179 175.800 -0.272 0.000 1.142 322 F CA 1.366 59.036 58.000 -0.550 0.000 1.177 322 F CB -0.553 38.273 39.000 -0.291 0.000 0.982 322 F HN -0.148 nan 8.300 nan 0.000 0.473 323 R N 0.415 120.657 120.500 -0.430 0.000 2.165 323 R HA -0.299 4.049 4.340 0.014 0.000 0.254 323 R C 2.387 178.476 176.300 -0.353 0.000 1.153 323 R CA 2.333 58.169 56.100 -0.439 0.000 0.971 323 R CB -0.701 29.519 30.300 -0.132 0.000 0.878 323 R HN 0.606 nan 8.270 nan 0.000 0.449 324 E N -0.338 119.718 120.200 -0.241 0.000 2.072 324 E HA -0.239 4.120 4.350 0.014 0.000 0.191 324 E C 1.833 178.312 176.600 -0.202 0.000 0.985 324 E CA 1.523 57.817 56.400 -0.176 0.000 0.801 324 E CB 0.039 29.672 29.700 -0.113 0.000 0.750 324 E HN 0.329 nan 8.360 nan 0.000 0.452 325 E N 0.504 120.544 120.200 -0.268 0.000 2.047 325 E HA -0.174 4.185 4.350 0.014 0.000 0.191 325 E C 2.062 178.519 176.600 -0.239 0.000 0.987 325 E CA 0.728 56.996 56.400 -0.220 0.000 0.799 325 E CB -0.262 29.289 29.700 -0.248 0.000 0.752 325 E HN 0.196 nan 8.360 nan 0.000 0.449 326 L N 0.919 121.882 121.223 -0.433 0.000 2.187 326 L HA -0.183 4.166 4.340 0.014 0.000 0.213 326 L C 2.179 178.898 176.870 -0.252 0.000 1.100 326 L CA 1.732 56.323 54.840 -0.414 0.000 0.765 326 L CB -0.333 41.245 42.059 -0.802 0.000 0.904 326 L HN 0.092 nan 8.230 nan 0.000 0.437 327 K N -0.232 120.032 120.400 -0.226 0.000 1.963 327 K HA -0.274 4.054 4.320 0.014 0.000 0.216 327 K C 2.111 178.650 176.600 -0.102 0.000 1.045 327 K CA 1.936 58.135 56.287 -0.148 0.000 0.954 327 K CB -0.363 32.061 32.500 -0.126 0.000 0.732 327 K HN 0.350 nan 8.250 nan 0.000 0.442 328 E N 0.517 120.665 120.200 -0.087 0.000 2.171 328 E HA -0.268 4.090 4.350 0.014 0.000 0.197 328 E C 2.136 178.709 176.600 -0.045 0.000 0.997 328 E CA 1.339 57.706 56.400 -0.055 0.000 0.810 328 E CB -0.042 29.632 29.700 -0.044 0.000 0.738 328 E HN 0.266 nan 8.360 nan 0.000 0.467 329 R N 0.312 120.780 120.500 -0.055 0.000 2.133 329 R HA -0.191 4.157 4.340 0.014 0.000 0.247 329 R C 2.060 178.342 176.300 -0.029 0.000 1.151 329 R CA 1.990 58.071 56.100 -0.033 0.000 0.971 329 R CB -0.230 30.048 30.300 -0.036 0.000 0.866 329 R HN 0.317 nan 8.270 nan 0.000 0.447 330 I N -0.127 120.415 120.570 -0.047 0.000 2.494 330 I HA -0.145 4.034 4.170 0.014 0.000 0.250 330 I C 2.219 178.318 176.117 -0.030 0.000 1.112 330 I CA 0.153 61.428 61.300 -0.041 0.000 1.438 330 I CB -0.434 37.531 38.000 -0.058 0.000 1.111 330 I HN 0.166 nan 8.210 nan 0.000 0.431 331 L N 1.623 122.826 121.223 -0.034 0.000 2.051 331 L HA -0.282 4.067 4.340 0.014 0.000 0.214 331 L C 1.986 178.850 176.870 -0.009 0.000 1.076 331 L CA 2.084 56.910 54.840 -0.023 0.000 0.758 331 L CB -0.881 41.163 42.059 -0.026 0.000 0.890 331 L HN 0.212 nan 8.230 nan 0.000 0.433 332 D N -0.530 119.866 120.400 -0.007 0.000 2.144 332 D HA -0.175 4.473 4.640 0.014 0.000 0.199 332 D C 1.795 178.103 176.300 0.014 0.000 0.984 332 D CA 1.466 55.468 54.000 0.004 0.000 0.834 332 D CB -0.117 40.686 40.800 0.004 0.000 0.955 332 D HN 0.490 nan 8.370 nan 0.000 0.465 333 D N 0.751 121.158 120.400 0.011 0.000 2.097 333 D HA -0.079 4.570 4.640 0.014 0.000 0.197 333 D C 2.425 178.744 176.300 0.033 0.000 0.984 333 D CA 0.413 54.429 54.000 0.025 0.000 0.826 333 D CB -0.068 40.742 40.800 0.017 0.000 0.973 333 D HN 0.372 nan 8.370 nan 0.000 0.460 334 I N -0.570 120.007 120.570 0.012 0.000 2.163 334 I HA -0.251 3.927 4.170 0.014 0.000 0.243 334 I C 2.088 178.226 176.117 0.035 0.000 1.085 334 I CA 1.177 62.485 61.300 0.014 0.000 1.347 334 I CB -0.405 37.590 38.000 -0.008 0.000 1.044 334 I HN -0.185 nan 8.210 nan 0.000 0.408 335 K N 1.167 121.583 120.400 0.027 0.000 2.015 335 K HA -0.257 4.071 4.320 0.014 0.000 0.220 335 K C 2.326 178.957 176.600 0.051 0.000 1.055 335 K CA 2.551 58.857 56.287 0.032 0.000 0.951 335 K CB -0.338 32.174 32.500 0.021 0.000 0.725 335 K HN 0.394 nan 8.250 nan 0.000 0.449 336 R N 0.830 121.364 120.500 0.057 0.000 2.127 336 R HA -0.190 4.159 4.340 0.014 0.000 0.228 336 R C 2.118 178.494 176.300 0.127 0.000 1.125 336 R CA 2.102 58.247 56.100 0.074 0.000 0.904 336 R CB -0.679 29.667 30.300 0.077 0.000 0.831 336 R HN 0.240 nan 8.270 nan 0.000 0.431 337 D N -0.363 120.151 120.400 0.190 0.000 2.191 337 D HA -0.237 4.412 4.640 0.014 0.000 0.190 337 D C 1.920 178.418 176.300 0.330 0.000 1.007 337 D CA 1.626 55.843 54.000 0.363 0.000 0.865 337 D CB -0.185 40.731 40.800 0.195 0.000 0.929 337 D HN 0.085 nan 8.370 nan 0.000 0.447 338 R N 0.234 120.835 120.500 0.169 0.000 2.070 338 R HA -0.077 4.272 4.340 0.014 0.000 0.233 338 R C 2.199 178.563 176.300 0.107 0.000 1.137 338 R CA 1.053 57.228 56.100 0.126 0.000 0.945 338 R CB -0.704 29.639 30.300 0.071 0.000 0.845 338 R HN 0.064 nan 8.270 nan 0.000 0.430 339 V N 0.901 120.861 119.914 0.076 0.000 2.380 339 V HA -0.277 3.852 4.120 0.014 0.000 0.251 339 V C 2.190 178.301 176.094 0.028 0.000 1.063 339 V CA 2.041 64.367 62.300 0.043 0.000 1.055 339 V CB -0.471 31.368 31.823 0.028 0.000 0.657 339 V HN 0.310 nan 8.190 nan 0.000 0.455 340 I N 0.571 121.162 120.570 0.035 0.000 2.094 340 I HA -0.264 3.914 4.170 0.014 0.000 0.234 340 I C 2.713 178.810 176.117 -0.034 0.000 1.063 340 I CA 2.010 63.281 61.300 -0.049 0.000 1.328 340 I CB -0.832 37.075 38.000 -0.155 0.000 1.058 340 I HN 0.464 nan 8.210 nan 0.000 0.400 341 E N 1.398 121.643 120.200 0.075 0.000 2.136 341 E HA -0.277 4.081 4.350 0.014 0.000 0.208 341 E C 2.081 178.720 176.600 0.065 0.000 1.035 341 E CA 2.277 58.758 56.400 0.135 0.000 0.838 341 E CB -0.989 28.889 29.700 0.297 0.000 0.748 341 E HN 0.354 nan 8.360 nan 0.000 0.459 342 V N 1.906 121.854 119.914 0.057 0.000 2.214 342 V HA -0.289 3.839 4.120 0.014 0.000 0.244 342 V C 2.693 178.795 176.094 0.013 0.000 1.045 342 V CA 2.198 64.518 62.300 0.034 0.000 0.993 342 V CB -0.781 31.060 31.823 0.030 0.000 0.633 342 V HN 0.257 nan 8.190 nan 0.000 0.449 343 L N 0.321 121.544 121.223 0.000 0.000 2.263 343 L HA -0.215 4.133 4.340 0.014 0.000 0.216 343 L C 2.526 179.384 176.870 -0.021 0.000 1.111 343 L CA 1.334 56.167 54.840 -0.012 0.000 0.773 343 L CB -0.776 41.271 42.059 -0.020 0.000 0.906 343 L HN 0.419 nan 8.230 nan 0.000 0.439 344 A N -0.763 122.041 122.820 -0.026 0.000 1.968 344 A HA -0.203 4.125 4.320 0.014 0.000 0.217 344 A C 2.319 179.895 177.584 -0.014 0.000 1.169 344 A CA 1.417 53.432 52.037 -0.035 0.000 0.638 344 A CB -0.316 18.651 19.000 -0.056 0.000 0.812 344 A HN 0.519 nan 8.150 nan 0.000 0.446 345 Q N 0.049 119.850 119.800 0.001 0.000 2.008 345 Q HA -0.160 4.189 4.340 0.014 0.000 0.196 345 Q C 1.710 177.711 176.000 0.003 0.000 0.973 345 Q CA 1.356 57.163 55.803 0.008 0.000 0.826 345 Q CB -0.288 28.461 28.738 0.018 0.000 0.894 345 Q HN 0.736 nan 8.270 nan 0.000 0.439 346 E N 0.385 120.586 120.200 0.002 0.000 2.187 346 E HA -0.192 4.167 4.350 0.014 0.000 0.199 346 E C 1.442 178.039 176.600 -0.004 0.000 1.004 346 E CA 0.921 57.321 56.400 0.000 0.000 0.813 346 E CB 0.048 29.748 29.700 -0.001 0.000 0.736 346 E HN 0.241 nan 8.360 nan 0.000 0.468 347 K N -0.689 119.706 120.400 -0.008 0.000 2.358 347 K HA 0.113 4.442 4.320 0.014 0.000 0.200 347 K C 0.935 177.528 176.600 -0.011 0.000 1.030 347 K CA 0.562 56.842 56.287 -0.012 0.000 1.097 347 K CB 1.292 33.782 32.500 -0.018 0.000 0.862 347 K HN 0.236 nan 8.250 nan 0.000 0.534 348 G N 2.377 111.173 108.800 -0.008 0.000 2.225 348 G HA2 -0.229 3.740 3.960 0.014 0.000 0.267 348 G HA3 -0.229 3.740 3.960 0.014 0.000 0.267 348 G C 0.164 175.058 174.900 -0.010 0.000 1.024 348 G CA -0.107 44.990 45.100 -0.005 0.000 0.784 348 G HN 0.190 nan 8.290 nan 0.000 0.507 349 I N 0.931 121.490 120.570 -0.017 0.000 2.471 349 I HA 0.553 4.732 4.170 0.014 0.000 0.286 349 I C 0.662 176.765 176.117 -0.024 0.000 1.079 349 I CA 0.137 61.421 61.300 -0.026 0.000 1.398 349 I CB 1.042 39.016 38.000 -0.043 0.000 1.403 349 I HN 0.285 nan 8.210 nan 0.000 0.530 350 S N 5.796 121.484 115.700 -0.019 0.000 2.537 350 S HA 0.536 5.014 4.470 0.014 0.000 0.270 350 S C -1.160 173.434 174.600 -0.009 0.000 1.142 350 S CA -0.598 57.596 58.200 -0.010 0.000 0.870 350 S CB 1.758 64.960 63.200 0.003 0.000 1.112 350 S HN 0.202 nan 8.310 nan 0.000 0.466 351 V N 6.204 126.117 119.914 -0.003 0.000 2.353 351 V HA 0.351 4.479 4.120 0.014 0.000 0.264 351 V C 0.385 176.488 176.094 0.015 0.000 1.049 351 V CA -0.864 61.438 62.300 0.003 0.000 0.896 351 V CB 0.342 32.169 31.823 0.006 0.000 1.025 351 V HN 0.867 nan 8.190 nan 0.000 0.475 352 N N 2.918 121.625 118.700 0.012 0.000 2.513 352 N HA 0.045 4.793 4.740 0.014 0.000 0.274 352 N C 0.771 176.294 175.510 0.021 0.000 1.189 352 N CA -0.329 52.730 53.050 0.016 0.000 0.975 352 N CB 1.157 39.651 38.487 0.012 0.000 1.157 352 N HN 0.519 nan 8.380 nan 0.000 0.465 353 D N 0.706 121.120 120.400 0.024 0.000 2.268 353 D HA -0.284 4.365 4.640 0.014 0.000 0.189 353 D C 1.141 177.457 176.300 0.026 0.000 1.010 353 D CA 2.179 56.195 54.000 0.026 0.000 0.862 353 D CB 0.058 40.871 40.800 0.023 0.000 0.943 353 D HN 0.767 nan 8.370 nan 0.000 0.451 354 E N -0.346 119.866 120.200 0.021 0.000 2.204 354 E HA -0.191 4.167 4.350 0.014 0.000 0.195 354 E C 2.034 178.646 176.600 0.020 0.000 0.990 354 E CA 0.868 57.280 56.400 0.019 0.000 0.821 354 E CB -0.112 29.597 29.700 0.015 0.000 0.750 354 E HN 0.516 nan 8.360 nan 0.000 0.477 355 E N 0.458 120.669 120.200 0.018 0.000 2.250 355 E HA -0.084 4.274 4.350 0.014 0.000 0.192 355 E C 1.922 178.536 176.600 0.024 0.000 0.986 355 E CA -0.040 56.369 56.400 0.016 0.000 0.849 355 E CB 0.198 29.904 29.700 0.009 0.000 0.797 355 E HN 0.083 nan 8.360 nan 0.000 0.482 356 L N 1.462 122.704 121.223 0.031 0.000 2.275 356 L HA -0.098 4.251 4.340 0.014 0.000 0.215 356 L C 1.443 178.346 176.870 0.055 0.000 1.119 356 L CA 1.705 56.572 54.840 0.045 0.000 0.790 356 L CB -0.058 42.031 42.059 0.049 0.000 0.919 356 L HN 0.060 nan 8.230 nan 0.000 0.443 357 E N -0.801 119.428 120.200 0.048 0.000 2.170 357 E HA -0.123 4.235 4.350 0.014 0.000 0.191 357 E C 1.996 178.626 176.600 0.051 0.000 0.981 357 E CA 0.627 57.059 56.400 0.054 0.000 0.830 357 E CB 0.014 29.739 29.700 0.043 0.000 0.775 357 E HN 0.462 nan 8.360 nan 0.000 0.470 358 K N 0.657 121.079 120.400 0.037 0.000 2.152 358 K HA -0.209 4.120 4.320 0.014 0.000 0.206 358 K C 2.022 178.640 176.600 0.030 0.000 1.048 358 K CA 1.341 57.645 56.287 0.028 0.000 0.933 358 K CB 0.032 32.543 32.500 0.018 0.000 0.721 358 K HN -0.022 nan 8.250 nan 0.000 0.447 359 E N 0.857 121.077 120.200 0.034 0.000 2.122 359 E HA -0.004 4.354 4.350 0.014 0.000 0.190 359 E C 1.782 178.408 176.600 0.044 0.000 0.977 359 E CA 0.927 57.344 56.400 0.028 0.000 0.820 359 E CB -0.038 29.675 29.700 0.022 0.000 0.770 359 E HN 0.231 nan 8.360 nan 0.000 0.462 360 A N 1.506 124.377 122.820 0.084 0.000 1.948 360 A HA -0.285 4.044 4.320 0.014 0.000 0.220 360 A C 2.019 179.689 177.584 0.144 0.000 1.177 360 A CA 2.043 54.173 52.037 0.154 0.000 0.636 360 A CB -0.888 18.216 19.000 0.174 0.000 0.815 360 A HN 0.565 nan 8.150 nan 0.000 0.449 361 E N -1.018 119.238 120.200 0.092 0.000 2.347 361 E HA -0.131 4.228 4.350 0.014 0.000 0.196 361 E C 1.329 177.952 176.600 0.038 0.000 1.008 361 E CA 0.856 57.300 56.400 0.073 0.000 0.852 361 E CB -0.166 29.564 29.700 0.050 0.000 0.783 361 E HN 0.507 nan 8.360 nan 0.000 0.505 362 E N 0.739 120.955 120.200 0.026 0.000 2.358 362 E HA -0.000 4.358 4.350 0.014 0.000 0.195 362 E C 1.781 178.404 176.600 0.038 0.000 1.010 362 E CA 0.548 56.963 56.400 0.024 0.000 0.856 362 E CB 0.244 29.965 29.700 0.035 0.000 0.795 362 E HN 0.465 nan 8.360 nan 0.000 0.504 363 L N -0.811 120.370 121.223 -0.070 0.000 2.640 363 L HA 0.262 4.610 4.340 0.014 0.000 0.230 363 L C 2.120 178.871 176.870 -0.199 0.000 1.123 363 L CA 0.183 54.827 54.840 -0.326 0.000 0.900 363 L CB -0.079 41.346 42.059 -1.056 0.000 1.146 363 L HN -0.063 nan 8.230 nan 0.000 0.484 364 A N 1.754 124.626 122.820 0.087 0.000 1.933 364 A HA -0.052 4.277 4.320 0.014 0.000 0.218 364 A C -0.009 177.632 177.584 0.094 0.000 1.175 364 A CA 1.357 53.526 52.037 0.220 0.000 0.628 364 A CB -1.334 17.761 19.000 0.158 0.000 0.814 364 A HN 0.272 nan 8.150 nan 0.000 0.444 365 P HA -0.097 nan 4.420 nan 0.000 0.215 365 P C 1.159 178.341 177.300 -0.197 0.000 1.157 365 P CA 0.901 63.868 63.100 -0.222 0.000 0.856 365 P CB -0.290 31.124 31.700 -0.476 0.000 0.786 366 F N -1.122 118.792 119.950 -0.060 0.000 2.102 366 F HA -0.113 4.422 4.527 0.014 0.000 0.298 366 F C 2.522 178.336 175.800 0.023 0.000 1.105 366 F CA 0.926 58.878 58.000 -0.080 0.000 1.239 366 F CB -1.774 37.098 39.000 -0.214 0.000 0.991 366 F HN -0.083 nan 8.300 nan 0.000 0.474 367 W N 0.450 121.866 121.300 0.193 0.000 2.468 367 W HA 0.108 4.776 4.660 0.014 0.000 0.262 367 W C 1.834 178.392 176.519 0.064 0.000 1.241 367 W CA 1.632 59.042 57.345 0.108 0.000 1.232 367 W CB -1.363 28.148 29.460 0.084 0.000 1.124 367 W HN 0.244 nan 8.180 nan 0.000 0.597 368 G N 1.309 110.256 108.800 0.244 0.000 2.225 368 G HA2 -0.285 3.684 3.960 0.014 0.000 0.264 368 G HA3 -0.285 3.684 3.960 0.014 0.000 0.264 368 G C -0.064 174.908 174.900 0.120 0.000 1.060 368 G CA 0.352 45.532 45.100 0.134 0.000 0.833 368 G HN 0.391 nan 8.290 nan 0.000 0.498 369 I N -2.836 117.824 120.570 0.150 0.000 3.067 369 I HA 0.865 5.044 4.170 0.014 0.000 0.312 369 I C 0.544 176.714 176.117 0.087 0.000 1.073 369 I CA -0.822 60.543 61.300 0.108 0.000 1.016 369 I CB 1.996 40.061 38.000 0.108 0.000 1.227 369 I HN 0.322 nan 8.210 nan 0.000 0.456 370 S N 1.887 117.622 115.700 0.059 0.000 2.533 370 S HA 0.267 4.745 4.470 0.014 0.000 0.282 370 S C -1.838 172.800 174.600 0.064 0.000 1.304 370 S CA -0.735 57.493 58.200 0.047 0.000 1.063 370 S CB 0.438 63.656 63.200 0.031 0.000 0.881 370 S HN 0.610 nan 8.310 nan 0.000 0.493 371 P HA -0.145 nan 4.420 nan 0.000 0.217 371 P C 0.361 177.702 177.300 0.070 0.000 1.148 371 P CA 1.428 64.571 63.100 0.072 0.000 0.834 371 P CB -0.044 31.683 31.700 0.045 0.000 0.783 372 D N -1.774 118.655 120.400 0.048 0.000 2.194 372 D HA -0.070 4.578 4.640 0.014 0.000 0.204 372 D C 2.009 178.329 176.300 0.034 0.000 0.964 372 D CA 0.657 54.680 54.000 0.037 0.000 0.846 372 D CB -0.496 40.320 40.800 0.025 0.000 0.962 372 D HN 0.093 nan 8.370 nan 0.000 0.490 373 R N 0.592 121.111 120.500 0.032 0.000 2.092 373 R HA -0.039 4.310 4.340 0.014 0.000 0.231 373 R C 2.003 178.306 176.300 0.005 0.000 1.119 373 R CA 1.170 57.277 56.100 0.011 0.000 0.970 373 R CB -0.096 30.206 30.300 0.004 0.000 0.864 373 R HN 0.148 nan 8.270 nan 0.000 0.440 374 A N 1.377 124.228 122.820 0.052 0.000 1.851 374 A HA -0.223 4.106 4.320 0.014 0.000 0.216 374 A C 1.945 179.566 177.584 0.062 0.000 1.195 374 A CA 1.835 53.921 52.037 0.082 0.000 0.622 374 A CB -0.453 18.694 19.000 0.245 0.000 0.831 374 A HN 0.331 nan 8.150 nan 0.000 0.444 375 K N -0.306 120.136 120.400 0.069 0.000 2.103 375 K HA -0.101 4.228 4.320 0.014 0.000 0.207 375 K C 2.409 179.026 176.600 0.029 0.000 1.048 375 K CA 1.328 57.646 56.287 0.053 0.000 0.930 375 K CB -0.264 32.265 32.500 0.048 0.000 0.716 375 K HN 0.394 nan 8.250 nan 0.000 0.444 376 S N 1.160 116.870 115.700 0.017 0.000 2.365 376 S HA -0.142 4.337 4.470 0.014 0.000 0.225 376 S C 1.760 176.355 174.600 -0.009 0.000 1.039 376 S CA 1.155 59.356 58.200 0.002 0.000 1.033 376 S CB -0.165 63.032 63.200 -0.005 0.000 0.887 376 S HN 0.174 nan 8.310 nan 0.000 0.447 377 L N 1.111 122.319 121.223 -0.024 0.000 2.240 377 L HA 0.102 4.451 4.340 0.014 0.000 0.211 377 L C 1.996 178.851 176.870 -0.025 0.000 1.106 377 L CA 1.222 56.033 54.840 -0.049 0.000 0.793 377 L CB -0.443 41.547 42.059 -0.116 0.000 0.927 377 L HN 0.127 nan 8.230 nan 0.000 0.446 378 V N -0.428 119.490 119.914 0.005 0.000 2.302 378 V HA -0.229 3.900 4.120 0.014 0.000 0.243 378 V C 2.539 178.648 176.094 0.025 0.000 1.036 378 V CA 1.809 64.127 62.300 0.030 0.000 1.020 378 V CB -0.584 31.278 31.823 0.064 0.000 0.657 378 V HN 0.456 nan 8.190 nan 0.000 0.453 379 K N 0.408 120.821 120.400 0.022 0.000 2.063 379 K HA -0.196 4.132 4.320 0.014 0.000 0.208 379 K C 2.116 178.722 176.600 0.010 0.000 1.048 379 K CA 1.743 58.041 56.287 0.018 0.000 0.928 379 K CB -0.273 32.237 32.500 0.017 0.000 0.713 379 K HN 0.419 nan 8.250 nan 0.000 0.442 380 A N 1.267 124.089 122.820 0.003 0.000 1.872 380 A HA -0.055 4.274 4.320 0.014 0.000 0.214 380 A C 1.361 178.942 177.584 -0.005 0.000 1.187 380 A CA 0.554 52.589 52.037 -0.003 0.000 0.614 380 A CB -0.235 18.759 19.000 -0.011 0.000 0.826 380 A HN 0.284 nan 8.150 nan 0.000 0.442 381 R N -0.160 120.335 120.500 -0.009 0.000 2.459 381 R HA 0.275 4.624 4.340 0.014 0.000 0.281 381 R C 0.174 176.476 176.300 0.003 0.000 1.050 381 R CA -0.202 55.893 56.100 -0.009 0.000 1.055 381 R CB 0.446 30.733 30.300 -0.022 0.000 1.045 381 R HN 0.432 nan 8.270 nan 0.000 0.495 382 Q N 2.364 122.166 119.800 0.004 0.000 2.182 382 Q HA 0.020 4.369 4.340 0.014 0.000 0.270 382 Q C -0.628 175.379 176.000 0.010 0.000 0.861 382 Q CA 0.053 55.863 55.803 0.011 0.000 1.098 382 Q CB 0.632 29.375 28.738 0.009 0.000 1.188 382 Q HN 0.739 nan 8.270 nan 0.000 0.464 383 D N -0.708 119.698 120.400 0.009 0.000 2.526 383 D HA -0.035 4.614 4.640 0.014 0.000 0.293 383 D C 1.352 177.664 176.300 0.020 0.000 1.081 383 D CA 0.054 54.058 54.000 0.006 0.000 0.924 383 D CB 0.519 41.316 40.800 -0.005 0.000 1.498 383 D HN 0.333 nan 8.370 nan 0.000 0.497 384 L N 1.633 122.869 121.223 0.022 0.000 2.209 384 L HA 0.167 4.516 4.340 0.014 0.000 0.207 384 L C 2.595 179.512 176.870 0.078 0.000 1.094 384 L CA 0.779 55.648 54.840 0.048 0.000 0.790 384 L CB -0.322 41.743 42.059 0.011 0.000 0.932 384 L HN -0.095 nan 8.230 nan 0.000 0.447 385 R N -0.452 120.083 120.500 0.058 0.000 2.112 385 R HA -0.202 4.146 4.340 0.014 0.000 0.242 385 R C 1.999 178.349 176.300 0.083 0.000 1.137 385 R CA 1.972 58.112 56.100 0.067 0.000 0.944 385 R CB -0.082 30.245 30.300 0.046 0.000 0.857 385 R HN 0.355 nan 8.270 nan 0.000 0.435 386 E N -0.273 119.970 120.200 0.071 0.000 2.170 386 E HA -0.142 4.217 4.350 0.014 0.000 0.191 386 E C 1.746 178.414 176.600 0.113 0.000 0.981 386 E CA 0.584 57.035 56.400 0.085 0.000 0.830 386 E CB 0.045 29.774 29.700 0.049 0.000 0.775 386 E HN 0.461 nan 8.360 nan 0.000 0.470 387 E N 0.595 120.850 120.200 0.092 0.000 2.077 387 E HA -0.173 4.186 4.350 0.014 0.000 0.193 387 E C 2.142 178.848 176.600 0.176 0.000 0.989 387 E CA 0.578 57.044 56.400 0.109 0.000 0.800 387 E CB 0.061 29.812 29.700 0.085 0.000 0.746 387 E HN 0.042 nan 8.360 nan 0.000 0.452 388 L N 1.284 122.605 121.223 0.163 0.000 2.056 388 L HA -0.130 4.218 4.340 0.014 0.000 0.207 388 L C 2.486 179.446 176.870 0.150 0.000 1.078 388 L CA 1.621 56.558 54.840 0.162 0.000 0.749 388 L CB -0.449 41.712 42.059 0.170 0.000 0.901 388 L HN 0.005 nan 8.230 nan 0.000 0.433 389 R N -0.663 119.929 120.500 0.153 0.000 2.088 389 R HA -0.266 4.083 4.340 0.014 0.000 0.232 389 R C 2.363 178.760 176.300 0.163 0.000 1.136 389 R CA 2.424 58.606 56.100 0.137 0.000 0.926 389 R CB -1.057 29.324 30.300 0.135 0.000 0.837 389 R HN 0.718 nan 8.270 nan 0.000 0.429 390 W N 1.543 122.855 121.300 0.019 0.000 2.338 390 W HA -0.242 4.426 4.660 0.014 0.000 0.304 390 W C 1.690 178.214 176.519 0.009 0.000 1.212 390 W CA 1.805 59.158 57.345 0.013 0.000 1.264 390 W CB -0.766 28.701 29.460 0.012 0.000 1.142 390 W HN 0.282 nan 8.180 nan 0.000 0.512 391 A N 1.546 124.477 122.820 0.185 0.000 1.873 391 A HA -0.250 4.078 4.320 0.014 0.000 0.218 391 A C 2.222 179.733 177.584 -0.121 0.000 1.193 391 A CA 2.760 54.807 52.037 0.016 0.000 0.629 391 A CB -1.288 17.793 19.000 0.134 0.000 0.826 391 A HN 0.392 nan 8.150 nan 0.000 0.447 392 I N -0.593 119.947 120.570 -0.049 0.000 2.113 392 I HA -0.336 3.842 4.170 0.014 0.000 0.242 392 I C 2.569 178.611 176.117 -0.125 0.000 1.064 392 I CA 1.985 63.247 61.300 -0.064 0.000 1.320 392 I CB -0.495 37.496 38.000 -0.016 0.000 1.028 392 I HN 0.525 nan 8.210 nan 0.000 0.406 393 L N 0.906 122.030 121.223 -0.164 0.000 2.042 393 L HA -0.264 4.084 4.340 0.014 0.000 0.210 393 L C 2.661 179.336 176.870 -0.326 0.000 1.076 393 L CA 1.836 56.544 54.840 -0.218 0.000 0.749 393 L CB -0.446 41.486 42.059 -0.212 0.000 0.893 393 L HN 0.136 nan 8.230 nan 0.000 0.432 394 K N 0.534 120.623 120.400 -0.518 0.000 2.044 394 K HA -0.253 4.076 4.320 0.014 0.000 0.210 394 K C 2.139 178.581 176.600 -0.263 0.000 1.049 394 K CA 2.080 58.062 56.287 -0.508 0.000 0.927 394 K CB -0.243 31.888 32.500 -0.615 0.000 0.713 394 K HN 0.522 nan 8.250 nan 0.000 0.443 395 R N 0.059 120.441 120.500 -0.196 0.000 2.369 395 R HA -0.042 4.306 4.340 0.014 0.000 0.200 395 R C 1.171 177.405 176.300 -0.111 0.000 1.046 395 R CA 0.876 56.900 56.100 -0.126 0.000 1.057 395 R CB 0.118 30.360 30.300 -0.096 0.000 0.888 395 R HN 0.076 nan 8.270 nan 0.000 0.474 396 K N 0.127 120.450 120.400 -0.129 0.000 2.344 396 K HA 0.107 4.435 4.320 0.014 0.000 0.200 396 K C 1.874 178.415 176.600 -0.099 0.000 1.132 396 K CA 0.461 56.687 56.287 -0.102 0.000 0.935 396 K CB 0.292 32.731 32.500 -0.101 0.000 1.089 396 K HN 0.000 nan 8.250 nan 0.000 0.496 397 V N 2.321 122.158 119.914 -0.128 0.000 2.453 397 V HA -0.170 3.958 4.120 0.014 0.000 0.247 397 V C 2.343 178.382 176.094 -0.092 0.000 1.048 397 V CA 1.334 63.566 62.300 -0.112 0.000 1.049 397 V CB -0.354 31.380 31.823 -0.148 0.000 0.672 397 V HN 0.166 nan 8.190 nan 0.000 0.457 398 L N -0.348 120.814 121.223 -0.101 0.000 1.994 398 L HA -0.201 4.147 4.340 0.014 0.000 0.208 398 L C 2.371 179.203 176.870 -0.064 0.000 1.071 398 L CA 1.818 56.611 54.840 -0.077 0.000 0.745 398 L CB -0.726 41.285 42.059 -0.079 0.000 0.892 398 L HN 0.296 nan 8.230 nan 0.000 0.431 399 D N -0.115 120.244 120.400 -0.068 0.000 2.127 399 D HA -0.232 4.417 4.640 0.014 0.000 0.190 399 D C 2.308 178.579 176.300 -0.048 0.000 1.000 399 D CA 1.262 55.227 54.000 -0.057 0.000 0.839 399 D CB -0.272 40.494 40.800 -0.058 0.000 0.955 399 D HN 0.110 nan 8.370 nan 0.000 0.446 400 L N 0.066 121.260 121.223 -0.049 0.000 1.971 400 L HA -0.220 4.129 4.340 0.014 0.000 0.215 400 L C 2.645 179.494 176.870 -0.035 0.000 1.072 400 L CA 1.245 56.061 54.840 -0.040 0.000 0.758 400 L CB -0.876 41.159 42.059 -0.041 0.000 0.889 400 L HN 0.189 nan 8.230 nan 0.000 0.433 401 L N -0.517 120.683 121.223 -0.038 0.000 2.042 401 L HA -0.266 4.083 4.340 0.014 0.000 0.210 401 L C 2.564 179.417 176.870 -0.028 0.000 1.076 401 L CA 1.008 55.830 54.840 -0.031 0.000 0.749 401 L CB -0.516 41.524 42.059 -0.033 0.000 0.893 401 L HN 0.275 nan 8.230 nan 0.000 0.432 402 L N -0.353 120.850 121.223 -0.033 0.000 2.456 402 L HA -0.268 4.080 4.340 0.014 0.000 0.225 402 L C 2.244 179.098 176.870 -0.026 0.000 1.142 402 L CA 1.051 55.872 54.840 -0.031 0.000 0.796 402 L CB -0.412 41.623 42.059 -0.039 0.000 0.920 402 L HN 0.458 nan 8.230 nan 0.000 0.446 403 Q N -0.884 118.902 119.800 -0.024 0.000 2.403 403 Q HA -0.075 4.273 4.340 0.014 0.000 0.203 403 Q C 1.217 177.208 176.000 -0.015 0.000 0.932 403 Q CA 0.438 56.230 55.803 -0.019 0.000 0.945 403 Q CB 0.340 29.067 28.738 -0.019 0.000 1.045 403 Q HN 0.551 nan 8.270 nan 0.000 0.511 404 E N -0.174 120.017 120.200 -0.015 0.000 2.453 404 E HA 0.022 4.380 4.350 0.014 0.000 0.211 404 E C 0.431 177.025 176.600 -0.010 0.000 0.897 404 E CA -0.041 56.352 56.400 -0.012 0.000 1.063 404 E CB 0.994 30.686 29.700 -0.012 0.000 1.080 404 E HN 0.113 nan 8.360 nan 0.000 0.512 405 V N -0.067 119.840 119.914 -0.012 0.000 3.319 405 V HA 0.190 4.318 4.120 0.014 0.000 0.303 405 V C 0.248 176.337 176.094 -0.008 0.000 1.094 405 V CA -0.708 61.586 62.300 -0.010 0.000 1.106 405 V CB 0.749 32.564 31.823 -0.013 0.000 1.099 405 V HN -0.080 nan 8.190 nan 0.000 0.476 406 K N 1.979 122.376 120.400 -0.006 0.000 2.263 406 K HA 0.432 4.761 4.320 0.014 0.000 0.282 406 K C -0.941 175.657 176.600 -0.003 0.000 1.089 406 K CA -0.287 55.998 56.287 -0.003 0.000 0.907 406 K CB 1.316 33.815 32.500 -0.002 0.000 1.148 406 K HN 0.623 nan 8.250 nan 0.000 0.470 407 V N 4.405 124.318 119.914 -0.002 0.000 2.368 407 V HA 0.124 4.252 4.120 0.014 0.000 0.266 407 V C 0.524 176.621 176.094 0.004 0.000 1.045 407 V CA -0.531 61.768 62.300 -0.001 0.000 0.899 407 V CB 0.683 32.506 31.823 -0.000 0.000 1.006 407 V HN 0.515 nan 8.190 nan 0.000 0.470 408 K N 4.529 124.932 120.400 0.005 0.000 2.227 408 K HA 0.539 4.868 4.320 0.014 0.000 0.280 408 K C -0.924 175.684 176.600 0.013 0.000 1.041 408 K CA -0.427 55.865 56.287 0.008 0.000 0.905 408 K CB 1.377 33.881 32.500 0.006 0.000 1.068 408 K HN 0.476 nan 8.250 nan 0.000 0.470 409 V N 5.302 125.225 119.914 0.016 0.000 2.427 409 V HA 0.313 4.442 4.120 0.014 0.000 0.286 409 V C -0.425 175.680 176.094 0.019 0.000 1.034 409 V CA -0.741 61.573 62.300 0.023 0.000 0.893 409 V CB 1.528 33.365 31.823 0.023 0.000 0.982 409 V HN 0.551 nan 8.190 nan 0.000 0.452 410 V N 4.188 124.116 119.914 0.024 0.000 2.769 410 V HA 0.527 4.656 4.120 0.014 0.000 0.312 410 V C -0.160 175.944 176.094 0.017 0.000 1.061 410 V CA -0.957 61.354 62.300 0.018 0.000 0.931 410 V CB 1.970 33.804 31.823 0.019 0.000 1.010 410 V HN 0.998 nan 8.190 nan 0.000 0.433 411 E N 2.940 123.146 120.200 0.010 0.000 2.249 411 E HA 0.523 4.882 4.350 0.014 0.000 0.280 411 E C -2.740 173.864 176.600 0.006 0.000 1.016 411 E CA -1.982 54.421 56.400 0.005 0.000 0.830 411 E CB 0.913 30.614 29.700 0.001 0.000 1.081 411 E HN 0.432 nan 8.360 nan 0.000 0.395 412 P HA -0.104 nan 4.420 nan 0.000 0.263 412 P C -0.175 177.128 177.300 0.006 0.000 1.168 412 P CA 0.282 63.386 63.100 0.006 0.000 0.759 412 P CB 0.631 32.331 31.700 0.001 0.000 0.782 413 K N 1.384 121.789 120.400 0.009 0.000 2.313 413 K HA 0.163 4.492 4.320 0.014 0.000 0.197 413 K C 0.956 177.560 176.600 0.007 0.000 1.061 413 K CA 0.490 56.782 56.287 0.007 0.000 0.980 413 K CB 0.296 32.800 32.500 0.008 0.000 0.888 413 K HN 0.636 nan 8.250 nan 0.000 0.502 414 G N 0.000 108.806 108.800 0.010 0.000 5.446 414 G HA2 0.000 3.969 3.960 0.014 0.000 0.244 414 G HA3 0.000 3.969 3.960 0.014 0.000 0.244 414 G CA 0.000 45.106 45.100 0.010 0.000 0.502 414 G HN 0.000 nan 8.290 nan 0.000 0.925