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 3nue_1_A DATA FIRST_RESID -1 DATA SEQUENCE GAMNWTVDIP IDQLPSLPPL PTDLRTRLDA ALAKPAAQQP TWPADQALAM DATA SEQUENCE RTVLESVPPV TVPSEIVRLQ EQLAQVAKGE AFLLQGGDcA ETFMDNTEPH DATA SEQUENCE IRGNVRALLQ MAVVLTYGAS MPVVKVARIA GQYAKPRSAD IDALGLRSYR DATA SEQUENCE GDMINGFAPD AAAREHDPSR LVRAYANASA AMNLVRALTS SGLASLHLVH DATA SEQUENCE DWNREFVRTS PAGARYEALA TEIDRGLRFM SACGVADRNL QTAEIYASHE DATA SEQUENCE ALVLDYERAM LRLSDGDXGE PQLFDLSAHT VWIGERTRQI DGAHIAFAQV DATA SEQUENCE IANPVGVKLG PNMTPELAVE YVERLDPHNK PGRLTLVSRM GNHKVRDLLP DATA SEQUENCE PIVEKVQATG HQVIWQCDPM HGNTHXXXXG FKTRHFDRIV DEVQGFFEVH DATA SEQUENCE RALGTHPGGI HVEITGENVT XXLGGAQDIX XXXLAGRYET AcDPRLNTQQ DATA SEQUENCE SLELAFLVAE MLRD 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -1 G C 0.000 174.886 174.900 -0.023 0.000 0.946 -1 G CA 0.000 45.085 45.100 -0.025 0.000 0.502 0 A N 1.954 124.751 122.820 -0.038 0.000 2.393 0 A HA 0.772 5.092 4.320 -0.000 0.000 0.306 0 A C 0.643 178.193 177.584 -0.056 0.000 1.050 0 A CA -0.728 51.289 52.037 -0.033 0.000 0.724 0 A CB 1.207 20.192 19.000 -0.024 0.000 1.248 0 A HN 0.322 nan 8.150 nan 0.000 0.424 1 M N 1.742 121.330 119.600 -0.020 0.000 2.494 1 M HA 0.064 4.543 4.480 -0.000 0.000 0.232 1 M C 1.239 177.570 176.300 0.052 0.000 1.137 1 M CA 0.302 55.598 55.300 -0.007 0.000 1.012 1 M CB -0.950 31.665 32.600 0.025 0.000 1.567 1 M HN 0.847 nan 8.290 nan 0.000 0.486 2 N N -0.151 118.578 118.700 0.048 0.000 2.250 2 N HA -0.141 4.599 4.740 -0.000 0.000 0.181 2 N C -0.174 175.528 175.510 0.321 0.000 1.017 2 N CA 0.857 53.995 53.050 0.146 0.000 0.866 2 N CB 0.299 38.840 38.487 0.089 0.000 0.985 2 N HN 0.444 nan 8.380 nan 0.000 0.429 3 W N -0.211 121.094 121.300 0.010 0.000 3.038 3 W HA -0.182 4.478 4.660 -0.000 0.000 0.317 3 W C -0.682 175.845 176.519 0.013 0.000 1.226 3 W CA 0.133 57.484 57.345 0.011 0.000 0.612 3 W CB -2.196 27.271 29.460 0.012 0.000 2.296 3 W HN -0.165 nan 8.180 nan 0.000 1.251 4 T N 0.547 115.175 114.554 0.122 0.000 2.881 4 T HA 0.584 4.934 4.350 -0.000 0.000 0.290 4 T C 0.027 174.745 174.700 0.030 0.000 1.000 4 T CA -0.412 61.742 62.100 0.090 0.000 0.978 4 T CB 1.986 70.908 68.868 0.090 0.000 0.997 4 T HN 0.111 nan 8.240 nan 0.000 0.443 5 V N 0.541 120.469 119.914 0.023 0.000 2.509 5 V HA 0.629 4.749 4.120 -0.000 0.000 0.284 5 V C -0.563 175.536 176.094 0.008 0.000 1.047 5 V CA -0.814 61.487 62.300 0.001 0.000 0.952 5 V CB 1.224 33.043 31.823 -0.007 0.000 0.988 5 V HN 0.697 nan 8.190 nan 0.000 0.469 6 D N 5.252 125.652 120.400 0.000 0.000 2.373 6 D HA 0.441 5.081 4.640 -0.000 0.000 0.227 6 D C -0.245 176.051 176.300 -0.006 0.000 1.091 6 D CA -0.167 53.834 54.000 0.002 0.000 0.840 6 D CB 1.570 42.371 40.800 0.003 0.000 1.060 6 D HN 0.399 nan 8.370 nan 0.000 0.502 7 I N 3.446 124.011 120.570 -0.008 0.000 2.312 7 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 7 I C -1.847 174.261 176.117 -0.014 0.000 1.031 7 I CA -2.287 59.005 61.300 -0.014 0.000 1.293 7 I CB -0.080 37.909 38.000 -0.019 0.000 1.403 7 I HN -0.030 nan 8.210 nan 0.000 0.484 8 P HA 0.244 nan 4.420 nan 0.000 0.268 8 P C -0.223 177.068 177.300 -0.016 0.000 1.204 8 P CA -0.073 63.019 63.100 -0.014 0.000 0.768 8 P CB 0.580 32.272 31.700 -0.013 0.000 0.842 9 I N 2.998 123.556 120.570 -0.019 0.000 2.291 9 I HA 0.088 4.258 4.170 -0.000 0.000 0.292 9 I C 0.525 176.629 176.117 -0.022 0.000 1.064 9 I CA -0.324 60.963 61.300 -0.022 0.000 1.269 9 I CB 0.212 38.194 38.000 -0.029 0.000 1.418 9 I HN 0.216 nan 8.210 nan 0.000 0.485 10 D N 7.524 127.912 120.400 -0.019 0.000 2.458 10 D HA 0.014 4.654 4.640 -0.000 0.000 0.243 10 D C -0.088 176.197 176.300 -0.025 0.000 1.146 10 D CA 0.330 54.318 54.000 -0.019 0.000 0.877 10 D CB 0.902 41.693 40.800 -0.015 0.000 1.176 10 D HN 0.518 nan 8.370 nan 0.000 0.461 11 Q N 2.487 122.273 119.800 -0.024 0.000 2.421 11 Q HA 0.387 4.727 4.340 -0.000 0.000 0.242 11 Q C -0.363 175.622 176.000 -0.025 0.000 1.024 11 Q CA -0.254 55.532 55.803 -0.027 0.000 0.891 11 Q CB 1.089 29.812 28.738 -0.024 0.000 1.222 11 Q HN 0.265 nan 8.270 nan 0.000 0.483 12 L N 3.855 125.060 121.223 -0.030 0.000 2.329 12 L HA 0.525 4.865 4.340 -0.000 0.000 0.279 12 L C -1.817 175.036 176.870 -0.029 0.000 1.014 12 L CA -2.388 52.435 54.840 -0.028 0.000 0.814 12 L CB 0.928 42.969 42.059 -0.030 0.000 1.257 12 L HN 0.401 nan 8.230 nan 0.000 0.424 13 P HA 0.006 nan 4.420 nan 0.000 0.266 13 P C -0.452 176.832 177.300 -0.026 0.000 1.186 13 P CA -0.147 62.940 63.100 -0.022 0.000 0.767 13 P CB 0.528 32.218 31.700 -0.018 0.000 0.820 14 S N 2.008 117.693 115.700 -0.025 0.000 2.610 14 S HA 0.449 4.919 4.470 -0.000 0.000 0.273 14 S C 0.350 174.936 174.600 -0.023 0.000 1.274 14 S CA -0.896 57.287 58.200 -0.028 0.000 1.023 14 S CB 0.541 63.725 63.200 -0.027 0.000 0.962 14 S HN 0.316 nan 8.310 nan 0.000 0.523 15 L N 1.650 122.858 121.223 -0.025 0.000 2.475 15 L HA 0.428 4.768 4.340 -0.000 0.000 0.253 15 L C -1.659 175.201 176.870 -0.016 0.000 1.198 15 L CA -2.145 52.683 54.840 -0.020 0.000 0.814 15 L CB -0.276 41.770 42.059 -0.023 0.000 1.134 15 L HN 0.556 nan 8.230 nan 0.000 0.478 16 P HA 0.126 nan 4.420 nan 0.000 0.270 16 P C -2.483 174.812 177.300 -0.008 0.000 1.223 16 P CA -0.841 62.254 63.100 -0.009 0.000 0.785 16 P CB -0.626 31.070 31.700 -0.006 0.000 0.923 17 P HA 0.162 nan 4.420 nan 0.000 0.272 17 P C 0.160 177.459 177.300 -0.001 0.000 1.240 17 P CA -0.301 62.796 63.100 -0.005 0.000 0.791 17 P CB 0.646 32.344 31.700 -0.003 0.000 0.978 18 L N 1.581 122.804 121.223 0.001 0.000 2.503 18 L HA 0.056 4.396 4.340 -0.000 0.000 0.287 18 L C -1.606 175.266 176.870 0.003 0.000 1.252 18 L CA -1.330 53.513 54.840 0.004 0.000 0.835 18 L CB -0.912 41.151 42.059 0.007 0.000 1.099 18 L HN 0.330 nan 8.230 nan 0.000 0.516 19 P HA 0.063 nan 4.420 nan 0.000 0.272 19 P C 0.343 177.643 177.300 0.000 0.000 1.254 19 P CA -0.233 62.868 63.100 0.002 0.000 0.795 19 P CB 0.455 32.156 31.700 0.002 0.000 1.022 20 T N -1.081 113.473 114.554 -0.000 0.000 2.901 20 T HA -0.086 4.264 4.350 -0.000 0.000 0.252 20 T C 1.048 175.746 174.700 -0.002 0.000 1.035 20 T CA 1.475 63.575 62.100 -0.001 0.000 1.142 20 T CB -0.968 67.900 68.868 -0.000 0.000 0.869 20 T HN 0.530 nan 8.240 nan 0.000 0.442 21 D N 2.525 122.923 120.400 -0.003 0.000 2.126 21 D HA -0.149 4.491 4.640 -0.000 0.000 0.190 21 D C 1.910 178.205 176.300 -0.008 0.000 1.001 21 D CA 1.202 55.199 54.000 -0.005 0.000 0.841 21 D CB -0.997 39.800 40.800 -0.006 0.000 0.949 21 D HN 0.318 nan 8.370 nan 0.000 0.446 22 L N -0.739 120.477 121.223 -0.010 0.000 2.156 22 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 22 L C 2.770 179.631 176.870 -0.015 0.000 1.095 22 L CA 0.743 55.572 54.840 -0.018 0.000 0.770 22 L CB -0.257 41.790 42.059 -0.021 0.000 0.914 22 L HN -0.074 nan 8.230 nan 0.000 0.439 23 R N -0.532 119.964 120.500 -0.005 0.000 2.075 23 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 23 R C 2.342 178.644 176.300 0.003 0.000 1.126 23 R CA 1.912 58.013 56.100 0.001 0.000 0.963 23 R CB -0.424 29.878 30.300 0.004 0.000 0.858 23 R HN 0.279 nan 8.270 nan 0.000 0.435 24 T N 0.599 115.154 114.554 0.001 0.000 2.708 24 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 24 T C 1.716 176.416 174.700 -0.000 0.000 1.037 24 T CA 1.236 63.337 62.100 0.002 0.000 1.146 24 T CB -0.146 68.722 68.868 0.000 0.000 0.865 24 T HN 0.278 nan 8.240 nan 0.000 0.435 25 R N 0.438 120.934 120.500 -0.007 0.000 2.096 25 R HA -0.073 4.267 4.340 -0.000 0.000 0.240 25 R C 2.452 178.747 176.300 -0.009 0.000 1.139 25 R CA 1.204 57.297 56.100 -0.013 0.000 0.952 25 R CB -0.874 29.410 30.300 -0.026 0.000 0.854 25 R HN 0.279 nan 8.270 nan 0.000 0.436 26 L N 1.589 122.808 121.223 -0.007 0.000 2.027 26 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 26 L C 1.589 178.480 176.870 0.035 0.000 1.074 26 L CA 1.891 56.738 54.840 0.010 0.000 0.745 26 L CB -0.447 41.621 42.059 0.014 0.000 0.898 26 L HN 0.037 nan 8.230 nan 0.000 0.433 27 D N -0.087 120.328 120.400 0.026 0.000 2.123 27 D HA -0.197 4.443 4.640 -0.000 0.000 0.196 27 D C 2.152 178.467 176.300 0.025 0.000 0.992 27 D CA 1.569 55.585 54.000 0.027 0.000 0.833 27 D CB -0.186 40.626 40.800 0.020 0.000 0.954 27 D HN 0.512 nan 8.370 nan 0.000 0.455 28 A N 0.812 123.642 122.820 0.018 0.000 1.969 28 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 28 A C 2.292 179.889 177.584 0.021 0.000 1.169 28 A CA 1.844 53.891 52.037 0.015 0.000 0.635 28 A CB -0.474 18.531 19.000 0.008 0.000 0.810 28 A HN 0.231 nan 8.150 nan 0.000 0.445 29 A N -0.257 122.580 122.820 0.027 0.000 1.898 29 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 29 A C 1.997 179.611 177.584 0.051 0.000 1.181 29 A CA 1.364 53.426 52.037 0.041 0.000 0.620 29 A CB -0.483 18.547 19.000 0.049 0.000 0.819 29 A HN 0.446 nan 8.150 nan 0.000 0.442 30 L N -0.775 120.481 121.223 0.056 0.000 2.554 30 L HA 0.024 4.364 4.340 -0.000 0.000 0.226 30 L C 2.626 179.510 176.870 0.023 0.000 1.137 30 L CA 0.472 55.338 54.840 0.043 0.000 0.863 30 L CB -0.249 41.844 42.059 0.057 0.000 0.985 30 L HN 0.435 nan 8.230 nan 0.000 0.451 31 A N -0.215 122.620 122.820 0.024 0.000 2.119 31 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 31 A C 1.139 178.733 177.584 0.016 0.000 1.153 31 A CA 0.479 52.527 52.037 0.019 0.000 0.692 31 A CB -0.170 18.841 19.000 0.018 0.000 0.799 31 A HN 0.226 nan 8.150 nan 0.000 0.458 32 K N 0.843 121.254 120.400 0.018 0.000 2.258 32 K HA 0.271 4.591 4.320 -0.000 0.000 0.264 32 K C -2.510 174.099 176.600 0.015 0.000 1.007 32 K CA -1.714 54.585 56.287 0.019 0.000 0.941 32 K CB 0.256 32.772 32.500 0.027 0.000 0.966 32 K HN 0.132 nan 8.250 nan 0.000 0.480 33 P HA 0.087 nan 4.420 nan 0.000 0.271 33 P C -1.546 175.774 177.300 0.032 0.000 1.218 33 P CA -0.368 62.747 63.100 0.024 0.000 0.780 33 P CB 1.059 32.776 31.700 0.029 0.000 0.901 34 A N 2.125 124.961 122.820 0.027 0.000 2.330 34 A HA 0.671 4.991 4.320 -0.000 0.000 0.313 34 A C 0.038 177.688 177.584 0.110 0.000 1.124 34 A CA -0.753 51.318 52.037 0.056 0.000 0.774 34 A CB 0.951 19.908 19.000 -0.071 0.000 1.198 34 A HN 0.608 nan 8.150 nan 0.000 0.465 35 A N 2.077 124.999 122.820 0.171 0.000 2.386 35 A HA 0.513 4.833 4.320 -0.000 0.000 0.248 35 A C 0.706 178.339 177.584 0.082 0.000 1.082 35 A CA 0.082 52.174 52.037 0.093 0.000 0.789 35 A CB -0.030 18.996 19.000 0.044 0.000 1.025 35 A HN 1.265 nan 8.150 nan 0.000 0.490 36 Q N -1.032 118.777 119.800 0.015 0.000 2.494 36 Q HA -0.145 4.195 4.340 -0.000 0.000 0.272 36 Q C -0.497 175.481 176.000 -0.037 0.000 1.145 36 Q CA 0.947 56.736 55.803 -0.022 0.000 0.943 36 Q CB -1.546 27.158 28.738 -0.056 0.000 1.338 36 Q HN 0.840 nan 8.270 nan 0.000 0.492 37 Q N 0.936 120.718 119.800 -0.030 0.000 2.299 37 Q HA 0.387 4.727 4.340 -0.000 0.000 0.246 37 Q C -1.750 174.138 176.000 -0.187 0.000 0.935 37 Q CA -1.603 54.145 55.803 -0.091 0.000 0.887 37 Q CB 0.239 28.943 28.738 -0.058 0.000 1.223 37 Q HN 0.098 nan 8.270 nan 0.000 0.439 38 P HA -0.029 nan 4.420 nan 0.000 0.266 38 P C 0.154 177.177 177.300 -0.462 0.000 1.193 38 P CA 0.217 62.946 63.100 -0.618 0.000 0.770 38 P CB 0.305 30.994 31.700 -1.684 0.000 0.836 39 T N -1.847 112.625 114.554 -0.137 0.000 3.258 39 T HA 0.262 4.612 4.350 -0.000 0.000 0.263 39 T C 0.136 174.824 174.700 -0.020 0.000 0.983 39 T CA -0.780 61.235 62.100 -0.141 0.000 0.907 39 T CB -0.958 67.800 68.868 -0.184 0.000 1.096 39 T HN 0.388 nan 8.240 nan 0.000 0.556 40 W N 1.130 122.498 121.300 0.112 0.000 2.161 40 W HA 0.667 5.327 4.660 -0.000 0.000 0.344 40 W C -2.713 173.833 176.519 0.045 0.000 1.262 40 W CA -3.534 53.857 57.345 0.075 0.000 1.270 40 W CB -1.168 28.347 29.460 0.093 0.000 1.126 40 W HN -0.057 nan 8.180 nan 0.000 0.598 41 P HA 0.150 nan 4.420 nan 0.000 0.267 41 P C 0.690 178.091 177.300 0.169 0.000 1.200 41 P CA 0.313 63.522 63.100 0.181 0.000 0.772 41 P CB 0.669 32.432 31.700 0.105 0.000 0.855 42 A N 2.798 125.693 122.820 0.124 0.000 1.972 42 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 42 A C 1.745 179.354 177.584 0.042 0.000 1.169 42 A CA 1.928 54.022 52.037 0.095 0.000 0.635 42 A CB -1.009 18.035 19.000 0.073 0.000 0.810 42 A HN 0.695 nan 8.150 nan 0.000 0.446 43 D N -0.495 119.921 120.400 0.027 0.000 2.123 43 D HA -0.192 4.448 4.640 -0.000 0.000 0.200 43 D C 1.827 178.110 176.300 -0.027 0.000 0.976 43 D CA 1.448 55.450 54.000 0.002 0.000 0.831 43 D CB -0.824 39.980 40.800 0.007 0.000 0.974 43 D HN 0.598 nan 8.370 nan 0.000 0.469 44 Q N 0.495 120.273 119.800 -0.038 0.000 2.084 44 Q HA -0.023 4.316 4.340 -0.000 0.000 0.202 44 Q C 2.451 178.334 176.000 -0.195 0.000 0.978 44 Q CA 1.657 57.399 55.803 -0.100 0.000 0.844 44 Q CB -0.252 28.430 28.738 -0.094 0.000 0.898 44 Q HN 0.417 nan 8.270 nan 0.000 0.426 45 A N 0.976 123.667 122.820 -0.215 0.000 1.883 45 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 45 A C 2.046 179.552 177.584 -0.129 0.000 1.186 45 A CA 1.414 53.296 52.037 -0.258 0.000 0.624 45 A CB -0.689 18.275 19.000 -0.060 0.000 0.822 45 A HN 0.359 nan 8.150 nan 0.000 0.444 46 L N -0.323 120.862 121.223 -0.063 0.000 2.056 46 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 46 L C 2.667 179.501 176.870 -0.059 0.000 1.078 46 L CA 2.158 56.974 54.840 -0.041 0.000 0.749 46 L CB -0.980 41.067 42.059 -0.019 0.000 0.901 46 L HN 0.351 nan 8.230 nan 0.000 0.433 47 A N -0.687 122.091 122.820 -0.071 0.000 1.883 47 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 47 A C 2.183 179.714 177.584 -0.087 0.000 1.186 47 A CA 2.259 54.254 52.037 -0.070 0.000 0.624 47 A CB -0.511 18.449 19.000 -0.067 0.000 0.822 47 A HN 0.483 nan 8.150 nan 0.000 0.444 48 M N -0.880 118.646 119.600 -0.125 0.000 2.200 48 M HA -0.023 4.457 4.480 -0.000 0.000 0.265 48 M C 2.150 178.391 176.300 -0.098 0.000 1.066 48 M CA 1.152 56.375 55.300 -0.129 0.000 1.127 48 M CB -1.215 31.263 32.600 -0.203 0.000 1.379 48 M HN 0.402 nan 8.290 nan 0.000 0.420 49 R N -0.351 120.096 120.500 -0.088 0.000 2.103 49 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 49 R C 2.148 178.407 176.300 -0.070 0.000 1.142 49 R CA 1.911 57.974 56.100 -0.062 0.000 0.960 49 R CB -0.693 29.585 30.300 -0.037 0.000 0.858 49 R HN 0.387 nan 8.270 nan 0.000 0.439 50 T N 0.709 115.224 114.554 -0.064 0.000 2.746 50 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 50 T C 2.022 176.677 174.700 -0.076 0.000 1.039 50 T CA 1.292 63.356 62.100 -0.060 0.000 1.142 50 T CB -0.188 68.651 68.868 -0.048 0.000 0.866 50 T HN -0.001 nan 8.240 nan 0.000 0.444 51 V N 1.749 121.614 119.914 -0.083 0.000 2.252 51 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 51 V C 2.493 178.498 176.094 -0.148 0.000 1.056 51 V CA 1.650 63.892 62.300 -0.098 0.000 1.022 51 V CB -0.712 31.059 31.823 -0.087 0.000 0.641 51 V HN 0.454 nan 8.190 nan 0.000 0.445 52 L N -0.515 120.609 121.223 -0.165 0.000 2.275 52 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 52 L C 2.496 179.225 176.870 -0.235 0.000 1.119 52 L CA 1.221 55.904 54.840 -0.262 0.000 0.790 52 L CB -0.587 41.346 42.059 -0.210 0.000 0.919 52 L HN 0.438 nan 8.230 nan 0.000 0.443 53 E N -0.102 120.009 120.200 -0.148 0.000 2.204 53 E HA -0.159 4.190 4.350 -0.000 0.000 0.195 53 E C 1.792 178.326 176.600 -0.110 0.000 0.990 53 E CA 1.450 57.784 56.400 -0.110 0.000 0.821 53 E CB 0.123 29.780 29.700 -0.071 0.000 0.750 53 E HN 0.486 nan 8.360 nan 0.000 0.477 54 S N -0.351 115.275 115.700 -0.124 0.000 2.539 54 S HA 0.111 4.580 4.470 -0.000 0.000 0.221 54 S C 0.681 175.206 174.600 -0.124 0.000 0.987 54 S CA -0.449 57.691 58.200 -0.101 0.000 0.929 54 S CB -0.120 63.037 63.200 -0.072 0.000 0.832 54 S HN 0.098 nan 8.310 nan 0.000 0.492 55 V N -0.386 119.397 119.914 -0.217 0.000 3.003 55 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 55 V C -2.851 173.168 176.094 -0.126 0.000 1.078 55 V CA -2.220 59.932 62.300 -0.246 0.000 1.083 55 V CB -0.501 30.939 31.823 -0.638 0.000 1.039 55 V HN -0.006 nan 8.190 nan 0.000 0.481 56 P HA 0.242 nan 4.420 nan 0.000 0.265 56 P C -2.499 174.876 177.300 0.126 0.000 1.193 56 P CA -0.655 62.484 63.100 0.065 0.000 0.765 56 P CB -0.283 31.476 31.700 0.100 0.000 0.823 57 P HA 0.005 nan 4.420 nan 0.000 0.272 57 P C 0.558 177.932 177.300 0.124 0.000 1.230 57 P CA -0.093 63.060 63.100 0.088 0.000 0.788 57 P CB 0.846 32.561 31.700 0.026 0.000 0.949 58 V N 0.112 120.100 119.914 0.124 0.000 2.488 58 V HA -0.035 4.085 4.120 -0.000 0.000 0.246 58 V C 1.517 177.603 176.094 -0.013 0.000 1.046 58 V CA 2.281 64.624 62.300 0.072 0.000 1.053 58 V CB -0.943 30.936 31.823 0.093 0.000 0.679 58 V HN 0.804 nan 8.190 nan 0.000 0.458 59 T N -1.437 113.077 114.554 -0.066 0.000 2.907 59 T HA 0.731 5.081 4.350 -0.000 0.000 0.290 59 T C -0.723 173.944 174.700 -0.055 0.000 1.066 59 T CA -0.325 61.696 62.100 -0.131 0.000 1.012 59 T CB 2.090 70.699 68.868 -0.431 0.000 1.184 59 T HN 0.247 nan 8.240 nan 0.000 0.522 60 V N -1.908 117.991 119.914 -0.026 0.000 2.864 60 V HA 0.599 4.719 4.120 -0.000 0.000 0.314 60 V C -2.320 173.673 176.094 -0.169 0.000 1.073 60 V CA -2.653 59.600 62.300 -0.078 0.000 0.956 60 V CB 1.326 33.122 31.823 -0.045 0.000 1.023 60 V HN 0.605 nan 8.190 nan 0.000 0.435 61 P HA -0.168 nan 4.420 nan 0.000 0.216 61 P C 1.959 179.023 177.300 -0.393 0.000 1.153 61 P CA 2.359 64.990 63.100 -0.781 0.000 0.858 61 P CB 0.120 31.273 31.700 -0.911 0.000 0.789 62 S N -0.658 114.928 115.700 -0.189 0.000 2.447 62 S HA -0.163 4.307 4.470 -0.000 0.000 0.233 62 S C 1.814 176.417 174.600 0.005 0.000 1.006 62 S CA 1.000 59.158 58.200 -0.070 0.000 0.957 62 S CB -0.975 62.201 63.200 -0.039 0.000 0.773 62 S HN 0.199 nan 8.310 nan 0.000 0.507 63 E N 0.848 121.076 120.200 0.047 0.000 2.110 63 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 63 E C 1.952 178.659 176.600 0.178 0.000 0.988 63 E CA 1.497 57.989 56.400 0.153 0.000 0.804 63 E CB -0.318 29.558 29.700 0.294 0.000 0.745 63 E HN 0.617 nan 8.360 nan 0.000 0.458 64 I N 0.591 121.254 120.570 0.155 0.000 2.286 64 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 64 I C 2.329 178.533 176.117 0.146 0.000 1.104 64 I CA 0.572 61.986 61.300 0.190 0.000 1.397 64 I CB -0.121 38.024 38.000 0.241 0.000 1.072 64 I HN -0.029 nan 8.210 nan 0.000 0.417 65 V N 0.893 120.884 119.914 0.127 0.000 2.287 65 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 65 V C 2.644 178.774 176.094 0.060 0.000 1.053 65 V CA 2.036 64.406 62.300 0.116 0.000 1.027 65 V CB -0.793 31.089 31.823 0.097 0.000 0.646 65 V HN 0.411 nan 8.190 nan 0.000 0.447 66 R N -0.409 120.124 120.500 0.055 0.000 2.094 66 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 66 R C 2.325 178.621 176.300 -0.007 0.000 1.137 66 R CA 2.162 58.290 56.100 0.046 0.000 0.943 66 R CB -0.485 29.867 30.300 0.086 0.000 0.850 66 R HN 0.438 nan 8.270 nan 0.000 0.433 67 L N 1.281 122.450 121.223 -0.090 0.000 2.042 67 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 67 L C 2.360 179.120 176.870 -0.184 0.000 1.076 67 L CA 2.052 56.682 54.840 -0.350 0.000 0.749 67 L CB -0.764 40.926 42.059 -0.615 0.000 0.893 67 L HN 0.244 nan 8.230 nan 0.000 0.432 68 Q N 0.191 119.947 119.800 -0.075 0.000 2.077 68 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 68 Q C 2.043 178.023 176.000 -0.034 0.000 0.989 68 Q CA 2.415 58.197 55.803 -0.035 0.000 0.853 68 Q CB -0.269 28.479 28.738 0.018 0.000 0.907 68 Q HN 0.713 nan 8.270 nan 0.000 0.418 69 E N -0.398 119.790 120.200 -0.020 0.000 2.110 69 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 69 E C 2.187 178.773 176.600 -0.023 0.000 0.988 69 E CA 1.234 57.626 56.400 -0.014 0.000 0.804 69 E CB -0.131 29.570 29.700 0.001 0.000 0.745 69 E HN 0.528 nan 8.360 nan 0.000 0.458 70 Q N 0.483 120.260 119.800 -0.038 0.000 2.119 70 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 70 Q C 2.323 178.296 176.000 -0.045 0.000 0.972 70 Q CA 0.858 56.641 55.803 -0.034 0.000 0.847 70 Q CB -0.013 28.703 28.738 -0.036 0.000 0.903 70 Q HN 0.298 nan 8.270 nan 0.000 0.433 71 L N 0.134 121.311 121.223 -0.076 0.000 2.201 71 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 71 L C 2.470 179.314 176.870 -0.043 0.000 1.105 71 L CA 0.643 55.442 54.840 -0.068 0.000 0.775 71 L CB -0.591 41.415 42.059 -0.089 0.000 0.913 71 L HN 0.212 nan 8.230 nan 0.000 0.440 72 A N -0.314 122.485 122.820 -0.036 0.000 1.908 72 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 72 A C 2.277 179.846 177.584 -0.025 0.000 1.181 72 A CA 1.450 53.471 52.037 -0.027 0.000 0.627 72 A CB -0.356 18.631 19.000 -0.021 0.000 0.818 72 A HN 0.380 nan 8.150 nan 0.000 0.445 73 Q N -0.275 119.512 119.800 -0.021 0.000 2.119 73 Q HA -0.090 4.250 4.340 -0.000 0.000 0.201 73 Q C 2.347 178.336 176.000 -0.018 0.000 0.972 73 Q CA 1.510 57.301 55.803 -0.020 0.000 0.847 73 Q CB -0.995 27.739 28.738 -0.007 0.000 0.903 73 Q HN 0.501 nan 8.270 nan 0.000 0.433 74 V N 1.502 121.420 119.914 0.007 0.000 2.287 74 V HA -0.281 3.838 4.120 -0.000 0.000 0.248 74 V C 2.417 178.542 176.094 0.052 0.000 1.053 74 V CA 1.924 64.257 62.300 0.056 0.000 1.027 74 V CB -1.231 30.613 31.823 0.035 0.000 0.646 74 V HN 0.343 nan 8.190 nan 0.000 0.447 75 A N -0.351 122.473 122.820 0.006 0.000 1.978 75 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 75 A C 2.131 179.705 177.584 -0.017 0.000 1.170 75 A CA 1.866 53.903 52.037 0.000 0.000 0.636 75 A CB -0.417 18.563 19.000 -0.032 0.000 0.810 75 A HN 0.585 nan 8.150 nan 0.000 0.448 76 K N -1.287 119.078 120.400 -0.059 0.000 2.458 76 K HA 0.273 4.593 4.320 -0.000 0.000 0.194 76 K C 0.841 177.327 176.600 -0.191 0.000 1.024 76 K CA 0.427 56.665 56.287 -0.083 0.000 1.108 76 K CB -0.046 32.418 32.500 -0.060 0.000 0.846 76 K HN 0.645 nan 8.250 nan 0.000 0.518 77 G N 1.727 110.278 108.800 -0.414 0.000 2.137 77 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.237 77 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.237 77 G C 0.220 174.810 174.900 -0.517 0.000 1.002 77 G CA 0.155 44.676 45.100 -0.965 0.000 0.702 77 G HN 0.460 nan 8.290 nan 0.000 0.515 78 E N -0.683 119.373 120.200 -0.240 0.000 2.630 78 E HA 0.590 4.940 4.350 -0.000 0.000 0.218 78 E C 0.779 177.391 176.600 0.019 0.000 0.977 78 E CA 0.589 56.943 56.400 -0.077 0.000 1.038 78 E CB 0.844 30.511 29.700 -0.055 0.000 1.051 78 E HN 0.967 nan 8.360 nan 0.000 0.487 79 A N 0.424 123.297 122.820 0.088 0.000 2.588 79 A HA 0.702 5.022 4.320 -0.000 0.000 0.290 79 A C -2.029 175.752 177.584 0.329 0.000 1.136 79 A CA -0.614 51.521 52.037 0.163 0.000 0.681 79 A CB 1.135 20.191 19.000 0.094 0.000 1.282 79 A HN 0.111 nan 8.150 nan 0.000 0.421 80 F N 0.089 120.107 119.950 0.115 0.000 2.556 80 F HA 0.658 5.185 4.527 -0.000 0.000 0.314 80 F C -1.248 174.583 175.800 0.052 0.000 1.106 80 F CA -0.990 57.075 58.000 0.109 0.000 0.911 80 F CB 1.923 40.981 39.000 0.097 0.000 1.190 80 F HN 0.522 nan 8.300 nan 0.000 0.448 81 L N 7.179 128.098 121.223 -0.506 0.000 2.257 81 L HA 0.557 4.897 4.340 -0.000 0.000 0.290 81 L C -1.581 175.050 176.870 -0.399 0.000 1.044 81 L CA -0.552 54.081 54.840 -0.345 0.000 0.810 81 L CB 0.908 42.785 42.059 -0.302 0.000 1.193 81 L HN 0.619 nan 8.230 nan 0.000 0.425 82 L N 5.301 126.436 121.223 -0.147 0.000 2.305 82 L HA 0.591 4.931 4.340 -0.000 0.000 0.284 82 L C -0.831 175.969 176.870 -0.116 0.000 1.013 82 L CA 0.093 54.880 54.840 -0.088 0.000 0.819 82 L CB 1.401 43.486 42.059 0.044 0.000 1.227 82 L HN 0.810 nan 8.230 nan 0.000 0.417 83 Q N 3.474 123.154 119.800 -0.200 0.000 2.304 83 Q HA 0.801 5.140 4.340 -0.000 0.000 0.270 83 Q C -1.088 174.721 176.000 -0.317 0.000 1.035 83 Q CA -0.587 55.031 55.803 -0.308 0.000 0.781 83 Q CB 2.041 30.443 28.738 -0.559 0.000 1.261 83 Q HN 0.981 nan 8.270 nan 0.000 0.444 84 G N 0.930 109.611 108.800 -0.198 0.000 2.667 84 G HA2 0.734 4.694 3.960 -0.000 0.000 0.294 84 G HA3 0.734 4.694 3.960 -0.000 0.000 0.294 84 G C -1.003 173.876 174.900 -0.034 0.000 1.467 84 G CA -0.006 45.037 45.100 -0.095 0.000 0.852 84 G HN 0.929 nan 8.290 nan 0.000 0.521 85 G N -0.193 108.609 108.800 0.004 0.000 2.333 85 G HA2 0.426 4.386 3.960 -0.000 0.000 0.288 85 G HA3 0.426 4.386 3.960 -0.000 0.000 0.288 85 G C -1.620 173.306 174.900 0.043 0.000 1.286 85 G CA -0.735 44.373 45.100 0.014 0.000 0.865 85 G HN 0.657 nan 8.290 nan 0.000 0.506 86 D N -0.417 120.013 120.400 0.050 0.000 2.506 86 D HA 0.140 4.780 4.640 -0.000 0.000 0.234 86 D C 1.599 177.959 176.300 0.101 0.000 1.143 86 D CA 0.438 54.483 54.000 0.075 0.000 0.871 86 D CB 1.502 42.365 40.800 0.104 0.000 1.190 86 D HN 0.635 nan 8.370 nan 0.000 0.459 87 c N 2.274 120.929 118.600 0.091 0.000 2.446 87 c HA 0.219 4.789 4.570 -0.000 0.000 0.277 87 c C 0.820 174.978 174.090 0.114 0.000 1.275 87 c CA 1.016 57.423 56.329 0.130 0.000 1.727 87 c CB -0.707 41.864 42.510 0.102 0.000 2.010 87 c HN 0.614 nan 8.230 nan 0.000 0.486 88 A N 0.632 123.491 122.820 0.066 0.000 2.375 88 A HA 0.629 4.949 4.320 -0.000 0.000 0.295 88 A C -0.778 176.816 177.584 0.017 0.000 1.066 88 A CA -0.451 51.605 52.037 0.033 0.000 0.722 88 A CB 0.642 19.666 19.000 0.041 0.000 1.206 88 A HN 0.655 nan 8.150 nan 0.000 0.435 89 E N 1.128 121.310 120.200 -0.029 0.000 2.373 89 E HA 0.442 4.792 4.350 -0.000 0.000 0.263 89 E C 0.302 176.980 176.600 0.129 0.000 1.073 89 E CA -0.049 56.365 56.400 0.025 0.000 0.894 89 E CB 0.968 30.583 29.700 -0.142 0.000 1.008 89 E HN 0.709 nan 8.360 nan 0.000 0.420 90 T N -1.499 113.115 114.554 0.099 0.000 2.932 90 T HA 0.296 4.646 4.350 -0.000 0.000 0.289 90 T C 0.493 175.294 174.700 0.169 0.000 1.039 90 T CA -0.796 61.318 62.100 0.022 0.000 1.024 90 T CB 0.519 69.328 68.868 -0.097 0.000 1.090 90 T HN 0.218 nan 8.240 nan 0.000 0.496 91 F N 0.657 120.624 119.950 0.029 0.000 2.171 91 F HA 0.031 4.558 4.527 -0.000 0.000 0.300 91 F C 2.505 178.293 175.800 -0.020 0.000 1.090 91 F CA 0.593 58.572 58.000 -0.034 0.000 1.293 91 F CB -1.078 37.865 39.000 -0.095 0.000 1.013 91 F HN 0.407 nan 8.300 nan 0.000 0.486 92 M N -0.235 119.445 119.600 0.133 0.000 2.159 92 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 92 M C 0.957 177.255 176.300 -0.004 0.000 1.063 92 M CA 1.481 56.810 55.300 0.048 0.000 1.110 92 M CB -0.986 31.612 32.600 -0.002 0.000 1.374 92 M HN 0.047 nan 8.290 nan 0.000 0.411 93 D N -0.470 119.892 120.400 -0.063 0.000 2.325 93 D HA 0.009 4.649 4.640 -0.000 0.000 0.225 93 D C 0.321 176.583 176.300 -0.063 0.000 1.096 93 D CA 0.131 54.028 54.000 -0.172 0.000 0.844 93 D CB -0.609 39.911 40.800 -0.465 0.000 0.925 93 D HN 0.211 nan 8.370 nan 0.000 0.513 94 N N 1.577 120.325 118.700 0.080 0.000 3.178 94 N HA -0.019 4.721 4.740 -0.000 0.000 0.300 94 N C -0.641 174.939 175.510 0.116 0.000 1.242 94 N CA 0.055 53.203 53.050 0.164 0.000 1.192 94 N CB -0.177 38.446 38.487 0.228 0.000 1.463 94 N HN -0.027 nan 8.380 nan 0.000 0.539 95 T N -2.724 111.901 114.554 0.118 0.000 2.932 95 T HA 0.278 4.628 4.350 -0.000 0.000 0.289 95 T C 1.022 175.776 174.700 0.090 0.000 1.039 95 T CA -0.830 61.321 62.100 0.085 0.000 1.024 95 T CB 1.753 70.660 68.868 0.066 0.000 1.090 95 T HN 0.281 nan 8.240 nan 0.000 0.496 96 E N 0.774 121.007 120.200 0.055 0.000 2.070 96 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 96 E C -0.872 175.748 176.600 0.033 0.000 1.004 96 E CA 1.499 57.922 56.400 0.038 0.000 0.805 96 E CB -1.030 28.686 29.700 0.026 0.000 0.744 96 E HN 0.534 nan 8.360 nan 0.000 0.451 97 P HA -0.135 nan 4.420 nan 0.000 0.217 97 P C 0.810 178.131 177.300 0.036 0.000 1.150 97 P CA 1.574 64.689 63.100 0.025 0.000 0.832 97 P CB -0.091 31.626 31.700 0.029 0.000 0.787 98 H N -0.625 118.432 119.070 -0.022 0.000 2.343 98 H HA 0.037 4.593 4.556 -0.000 0.000 0.303 98 H C 1.832 177.144 175.328 -0.026 0.000 1.068 98 H CA 1.241 57.273 56.048 -0.027 0.000 1.359 98 H CB -0.904 28.850 29.762 -0.015 0.000 1.402 98 H HN -0.063 nan 8.280 nan 0.000 0.515 99 I N 0.079 120.627 120.570 -0.036 0.000 2.208 99 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 99 I C 2.638 178.690 176.117 -0.108 0.000 1.097 99 I CA 1.393 62.642 61.300 -0.084 0.000 1.363 99 I CB -0.266 37.741 38.000 0.012 0.000 1.051 99 I HN 0.229 nan 8.210 nan 0.000 0.413 100 R N 0.601 121.054 120.500 -0.078 0.000 2.189 100 R HA -0.088 4.252 4.340 -0.000 0.000 0.223 100 R C 2.268 178.475 176.300 -0.156 0.000 1.092 100 R CA 1.141 57.189 56.100 -0.087 0.000 0.989 100 R CB -0.296 29.970 30.300 -0.056 0.000 0.876 100 R HN 0.451 nan 8.270 nan 0.000 0.457 101 G N 0.073 108.764 108.800 -0.182 0.000 2.394 101 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.214 101 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.214 101 G C 1.098 175.860 174.900 -0.230 0.000 1.176 101 G CA 0.424 45.392 45.100 -0.221 0.000 0.786 101 G HN 0.270 nan 8.290 nan 0.000 0.533 102 N N 0.168 118.708 118.700 -0.266 0.000 2.216 102 N HA -0.046 4.694 4.740 -0.000 0.000 0.183 102 N C 2.253 177.684 175.510 -0.132 0.000 1.017 102 N CA 0.651 53.572 53.050 -0.215 0.000 0.861 102 N CB -0.291 38.038 38.487 -0.263 0.000 0.986 102 N HN 0.164 nan 8.380 nan 0.000 0.428 103 V N 1.032 120.879 119.914 -0.113 0.000 2.307 103 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 103 V C 2.440 178.506 176.094 -0.047 0.000 1.045 103 V CA 1.334 63.599 62.300 -0.058 0.000 1.024 103 V CB -0.349 31.453 31.823 -0.034 0.000 0.651 103 V HN 0.271 nan 8.190 nan 0.000 0.449 104 R N -0.140 120.297 120.500 -0.105 0.000 2.094 104 R HA -0.244 4.096 4.340 -0.000 0.000 0.239 104 R C 2.387 178.634 176.300 -0.087 0.000 1.137 104 R CA 1.921 57.932 56.100 -0.148 0.000 0.943 104 R CB -0.635 29.406 30.300 -0.433 0.000 0.850 104 R HN 0.537 nan 8.270 nan 0.000 0.433 105 A N 0.701 123.447 122.820 -0.124 0.000 1.902 105 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 105 A C 2.060 179.614 177.584 -0.051 0.000 1.181 105 A CA 1.121 53.101 52.037 -0.096 0.000 0.623 105 A CB -0.473 18.461 19.000 -0.109 0.000 0.818 105 A HN 0.297 nan 8.150 nan 0.000 0.443 106 L N -0.508 120.691 121.223 -0.041 0.000 2.093 106 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 106 L C 2.311 179.186 176.870 0.009 0.000 1.085 106 L CA 1.441 56.270 54.840 -0.019 0.000 0.755 106 L CB -0.329 41.719 42.059 -0.018 0.000 0.904 106 L HN 0.403 nan 8.230 nan 0.000 0.435 107 L N -1.312 119.932 121.223 0.034 0.000 2.027 107 L HA -0.228 4.112 4.340 -0.000 0.000 0.206 107 L C 2.614 179.531 176.870 0.078 0.000 1.074 107 L CA 1.276 56.159 54.840 0.071 0.000 0.745 107 L CB -0.527 41.610 42.059 0.130 0.000 0.898 107 L HN 0.335 nan 8.230 nan 0.000 0.433 108 Q N -0.516 119.343 119.800 0.100 0.000 2.077 108 Q HA -0.274 4.065 4.340 -0.000 0.000 0.206 108 Q C 2.334 178.330 176.000 -0.006 0.000 0.989 108 Q CA 1.960 57.818 55.803 0.090 0.000 0.853 108 Q CB -0.180 28.607 28.738 0.082 0.000 0.907 108 Q HN 0.502 nan 8.270 nan 0.000 0.418 109 M N -0.406 119.174 119.600 -0.033 0.000 2.080 109 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 109 M C 2.351 178.627 176.300 -0.040 0.000 1.068 109 M CA 1.577 56.840 55.300 -0.061 0.000 1.109 109 M CB -0.384 32.196 32.600 -0.034 0.000 1.342 109 M HN 0.255 nan 8.290 nan 0.000 0.405 110 A N -0.141 122.680 122.820 0.002 0.000 1.933 110 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 110 A C 2.243 179.830 177.584 0.005 0.000 1.175 110 A CA 1.628 53.680 52.037 0.024 0.000 0.628 110 A CB -0.990 18.033 19.000 0.038 0.000 0.814 110 A HN 0.313 nan 8.150 nan 0.000 0.444 111 V N -0.438 119.472 119.914 -0.005 0.000 2.261 111 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 111 V C 2.571 178.635 176.094 -0.049 0.000 1.047 111 V CA 2.101 64.391 62.300 -0.017 0.000 1.015 111 V CB -0.898 30.930 31.823 0.008 0.000 0.642 111 V HN 0.375 nan 8.190 nan 0.000 0.446 112 V N -0.238 119.597 119.914 -0.132 0.000 2.295 112 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 112 V C 2.309 178.320 176.094 -0.139 0.000 1.049 112 V CA 1.991 64.140 62.300 -0.250 0.000 1.024 112 V CB -0.560 30.876 31.823 -0.645 0.000 0.648 112 V HN 0.442 nan 8.190 nan 0.000 0.447 113 L N -0.477 120.679 121.223 -0.111 0.000 2.131 113 L HA -0.163 4.176 4.340 -0.000 0.000 0.210 113 L C 2.593 179.422 176.870 -0.069 0.000 1.092 113 L CA 1.776 56.559 54.840 -0.095 0.000 0.759 113 L CB -0.907 41.149 42.059 -0.005 0.000 0.903 113 L HN 0.346 nan 8.230 nan 0.000 0.435 114 T N -1.459 113.091 114.554 -0.007 0.000 2.737 114 T HA -0.230 4.120 4.350 -0.000 0.000 0.265 114 T C 1.711 176.407 174.700 -0.007 0.000 1.038 114 T CA 1.284 63.390 62.100 0.010 0.000 1.144 114 T CB -0.314 68.570 68.868 0.028 0.000 0.866 114 T HN 0.290 nan 8.240 nan 0.000 0.434 115 Y N 1.642 121.893 120.300 -0.083 0.000 2.145 115 Y HA -0.053 4.497 4.550 -0.000 0.000 0.286 115 Y C 2.514 178.371 175.900 -0.071 0.000 1.145 115 Y CA 1.457 59.512 58.100 -0.074 0.000 1.148 115 Y CB -0.670 37.737 38.460 -0.088 0.000 0.981 115 Y HN 0.204 nan 8.280 nan 0.000 0.507 116 G N -0.667 108.121 108.800 -0.019 0.000 2.402 116 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 116 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 116 G C 1.743 176.542 174.900 -0.168 0.000 1.162 116 G CA 0.726 45.776 45.100 -0.084 0.000 0.777 116 G HN 0.554 nan 8.290 nan 0.000 0.539 117 A N -0.314 122.392 122.820 -0.191 0.000 2.014 117 A HA 0.319 4.639 4.320 -0.000 0.000 0.218 117 A C 1.818 179.334 177.584 -0.114 0.000 1.163 117 A CA 1.517 53.447 52.037 -0.178 0.000 0.652 117 A CB -0.253 18.615 19.000 -0.221 0.000 0.808 117 A HN 0.759 nan 8.150 nan 0.000 0.449 118 S N -1.548 114.059 115.700 -0.155 0.000 3.635 118 S HA -0.171 4.299 4.470 -0.000 0.000 0.328 118 S C -0.036 174.529 174.600 -0.058 0.000 1.135 118 S CA 1.355 59.470 58.200 -0.143 0.000 0.942 118 S CB -2.110 61.005 63.200 -0.142 0.000 0.930 118 S HN 1.224 nan 8.310 nan 0.000 0.512 119 M N -3.283 116.303 119.600 -0.022 0.000 2.732 119 M HA 0.654 5.134 4.480 -0.000 0.000 0.272 119 M C -3.401 172.929 176.300 0.050 0.000 1.203 119 M CA -2.270 53.042 55.300 0.021 0.000 0.841 119 M CB 0.899 33.529 32.600 0.049 0.000 1.685 119 M HN -0.228 nan 8.290 nan 0.000 0.492 120 P HA 0.207 nan 4.420 nan 0.000 0.266 120 P C -1.074 176.296 177.300 0.117 0.000 1.193 120 P CA -0.293 62.848 63.100 0.069 0.000 0.770 120 P CB 0.492 32.226 31.700 0.056 0.000 0.836 121 V N 3.737 123.720 119.914 0.114 0.000 2.409 121 V HA 0.158 4.278 4.120 -0.000 0.000 0.291 121 V C 0.103 176.263 176.094 0.110 0.000 1.020 121 V CA -0.742 61.649 62.300 0.152 0.000 0.848 121 V CB 1.920 33.842 31.823 0.165 0.000 0.990 121 V HN 0.227 nan 8.190 nan 0.000 0.430 122 V N 5.714 125.681 119.914 0.090 0.000 2.470 122 V HA 0.231 4.351 4.120 -0.000 0.000 0.276 122 V C 0.329 176.473 176.094 0.084 0.000 1.040 122 V CA -0.440 61.908 62.300 0.081 0.000 1.008 122 V CB 0.678 32.505 31.823 0.007 0.000 0.990 122 V HN 0.803 nan 8.190 nan 0.000 0.477 123 K N 4.389 124.877 120.400 0.145 0.000 2.292 123 K HA 0.578 4.898 4.320 -0.000 0.000 0.270 123 K C -1.081 175.609 176.600 0.150 0.000 1.062 123 K CA -0.350 56.000 56.287 0.104 0.000 0.916 123 K CB 1.597 34.138 32.500 0.068 0.000 1.166 123 K HN 0.475 nan 8.250 nan 0.000 0.458 124 V N 2.684 122.646 119.914 0.081 0.000 2.407 124 V HA 0.438 4.558 4.120 -0.000 0.000 0.291 124 V C -0.132 175.987 176.094 0.042 0.000 1.018 124 V CA -0.995 61.366 62.300 0.101 0.000 0.842 124 V CB 1.379 33.229 31.823 0.046 0.000 0.996 124 V HN 0.838 nan 8.190 nan 0.000 0.426 125 A N 5.166 128.037 122.820 0.084 0.000 2.316 125 A HA 0.653 4.973 4.320 -0.000 0.000 0.284 125 A C 0.326 177.975 177.584 0.108 0.000 1.115 125 A CA -0.617 51.455 52.037 0.059 0.000 0.812 125 A CB 0.403 19.434 19.000 0.052 0.000 1.064 125 A HN 0.829 nan 8.150 nan 0.000 0.489 126 R N 1.168 121.727 120.500 0.098 0.000 2.429 126 R HA 0.505 4.845 4.340 -0.000 0.000 0.302 126 R C -0.802 175.562 176.300 0.107 0.000 1.268 126 R CA 0.387 56.598 56.100 0.186 0.000 1.090 126 R CB -0.192 30.244 30.300 0.225 0.000 1.102 126 R HN 0.686 nan 8.270 nan 0.000 0.522 127 I N -0.428 120.200 120.570 0.097 0.000 3.066 127 I HA 0.325 4.495 4.170 -0.000 0.000 0.307 127 I C -0.796 175.333 176.117 0.021 0.000 1.366 127 I CA -0.454 60.864 61.300 0.030 0.000 0.972 127 I CB 1.933 39.958 38.000 0.041 0.000 1.307 127 I HN 0.630 nan 8.210 nan 0.000 0.470 128 A N 3.647 126.448 122.820 -0.030 0.000 2.846 128 A HA 0.094 4.413 4.320 -0.000 0.000 0.287 128 A C 0.819 178.388 177.584 -0.025 0.000 1.469 128 A CA 1.374 53.425 52.037 0.024 0.000 0.757 128 A CB -2.242 16.805 19.000 0.078 0.000 1.033 128 A HN 2.221 nan 8.150 nan 0.000 0.516 129 G N -2.086 106.503 108.800 -0.351 0.000 3.288 129 G HA2 0.203 4.163 3.960 -0.000 0.000 0.219 129 G HA3 0.203 4.163 3.960 -0.000 0.000 0.219 129 G C 0.095 174.560 174.900 -0.725 0.000 0.944 129 G CA 0.680 45.476 45.100 -0.507 0.000 0.854 129 G HN 1.420 nan 8.290 nan 0.000 0.632 130 Q N 1.023 120.457 119.800 -0.610 0.000 3.223 130 Q HA 0.454 4.794 4.340 -0.000 0.000 0.299 130 Q C -0.051 175.734 176.000 -0.360 0.000 1.385 130 Q CA -0.258 55.359 55.803 -0.311 0.000 0.942 130 Q CB -0.772 27.918 28.738 -0.079 0.000 1.748 130 Q HN 0.534 nan 8.270 nan 0.000 0.523 131 Y N -0.683 119.517 120.300 -0.167 0.000 2.612 131 Y HA 0.594 5.144 4.550 -0.000 0.000 0.250 131 Y C 0.056 175.810 175.900 -0.242 0.000 1.175 131 Y CA -0.220 57.758 58.100 -0.203 0.000 1.205 131 Y CB 0.594 38.940 38.460 -0.190 0.000 1.201 131 Y HN 0.348 nan 8.280 nan 0.000 0.532 132 A N 1.081 123.843 122.820 -0.096 0.000 2.488 132 A HA 0.779 5.099 4.320 -0.000 0.000 0.298 132 A C -0.928 176.568 177.584 -0.146 0.000 1.044 132 A CA -0.884 51.062 52.037 -0.151 0.000 0.693 132 A CB 1.471 20.392 19.000 -0.131 0.000 1.272 132 A HN 0.216 nan 8.150 nan 0.000 0.402 133 K N 2.075 122.365 120.400 -0.184 0.000 2.469 133 K HA 0.804 5.124 4.320 -0.000 0.000 0.254 133 K C -3.130 173.391 176.600 -0.132 0.000 0.939 133 K CA -1.925 54.282 56.287 -0.134 0.000 0.812 133 K CB 2.638 35.066 32.500 -0.120 0.000 1.301 133 K HN 0.378 nan 8.250 nan 0.000 0.433 134 P HA 0.201 nan 4.420 nan 0.000 0.274 134 P C -0.965 176.301 177.300 -0.057 0.000 1.246 134 P CA -0.545 62.506 63.100 -0.081 0.000 0.795 134 P CB 0.626 32.285 31.700 -0.069 0.000 1.006 135 R N 0.143 120.619 120.500 -0.042 0.000 2.725 135 R HA 0.293 4.633 4.340 -0.000 0.000 0.277 135 R C 1.182 177.479 176.300 -0.005 0.000 0.987 135 R CA -0.583 55.509 56.100 -0.013 0.000 0.901 135 R CB 1.602 31.899 30.300 -0.005 0.000 1.207 135 R HN 0.528 nan 8.270 nan 0.000 0.463 136 S N -0.237 115.468 115.700 0.008 0.000 2.446 136 S HA 0.129 4.599 4.470 -0.000 0.000 0.225 136 S C 0.920 175.526 174.600 0.009 0.000 1.016 136 S CA 0.163 58.369 58.200 0.009 0.000 0.943 136 S CB 0.311 63.521 63.200 0.017 0.000 0.786 136 S HN 0.638 nan 8.310 nan 0.000 0.508 137 A N 1.791 124.619 122.820 0.013 0.000 2.317 137 A HA 0.606 4.926 4.320 -0.000 0.000 0.327 137 A C 0.032 177.623 177.584 0.012 0.000 1.178 137 A CA -0.713 51.331 52.037 0.012 0.000 0.817 137 A CB 0.852 19.860 19.000 0.014 0.000 1.189 137 A HN 0.140 nan 8.150 nan 0.000 0.489 138 D N 1.088 121.492 120.400 0.007 0.000 2.213 138 D HA 0.063 4.703 4.640 -0.000 0.000 0.205 138 D C 0.293 176.597 176.300 0.006 0.000 0.961 138 D CA 1.126 55.129 54.000 0.005 0.000 0.853 138 D CB -0.035 40.763 40.800 -0.004 0.000 0.967 138 D HN 0.484 nan 8.370 nan 0.000 0.496 139 I N 1.855 122.427 120.570 0.004 0.000 2.447 139 I HA 0.203 4.373 4.170 -0.000 0.000 0.287 139 I C -0.594 175.524 176.117 0.001 0.000 1.023 139 I CA -1.165 60.136 61.300 0.000 0.000 1.083 139 I CB 1.919 39.915 38.000 -0.006 0.000 1.245 139 I HN -0.146 nan 8.210 nan 0.000 0.434 140 D N 5.131 125.531 120.400 -0.000 0.000 2.433 140 D HA 0.257 4.896 4.640 -0.000 0.000 0.255 140 D C 1.166 177.456 176.300 -0.018 0.000 1.226 140 D CA -0.490 53.507 54.000 -0.004 0.000 1.015 140 D CB 1.015 41.813 40.800 -0.004 0.000 1.091 140 D HN 0.539 nan 8.370 nan 0.000 0.527 141 A N -0.408 122.398 122.820 -0.024 0.000 2.131 141 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 141 A C 2.047 179.606 177.584 -0.041 0.000 1.158 141 A CA 0.897 52.914 52.037 -0.033 0.000 0.665 141 A CB -0.791 18.185 19.000 -0.041 0.000 0.795 141 A HN 0.572 nan 8.150 nan 0.000 0.460 142 L N -1.685 119.510 121.223 -0.046 0.000 2.592 142 L HA 0.231 4.570 4.340 -0.000 0.000 0.227 142 L C 1.541 178.388 176.870 -0.040 0.000 1.127 142 L CA 0.497 55.306 54.840 -0.051 0.000 0.884 142 L CB -0.182 41.835 42.059 -0.070 0.000 1.065 142 L HN 0.551 nan 8.230 nan 0.000 0.457 143 G N 0.846 109.628 108.800 -0.031 0.000 2.136 143 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 143 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 143 G C -0.022 174.865 174.900 -0.022 0.000 0.989 143 G CA -0.108 44.977 45.100 -0.024 0.000 0.682 143 G HN 0.223 nan 8.290 nan 0.000 0.522 144 L N -0.264 120.945 121.223 -0.024 0.000 2.334 144 L HA 0.595 4.935 4.340 -0.000 0.000 0.270 144 L C 1.321 178.190 176.870 -0.002 0.000 1.018 144 L CA -1.331 53.499 54.840 -0.017 0.000 0.811 144 L CB 0.957 42.998 42.059 -0.029 0.000 1.271 144 L HN 0.051 nan 8.230 nan 0.000 0.443 145 R N 0.863 121.368 120.500 0.008 0.000 2.537 145 R HA 0.048 4.388 4.340 -0.000 0.000 0.281 145 R C -0.153 176.182 176.300 0.059 0.000 0.988 145 R CA -0.158 55.959 56.100 0.029 0.000 1.077 145 R CB 0.129 30.451 30.300 0.037 0.000 0.932 145 R HN 0.569 nan 8.270 nan 0.000 0.409 146 S N 2.566 118.305 115.700 0.066 0.000 2.563 146 S HA -0.111 4.359 4.470 -0.000 0.000 0.284 146 S C -0.129 174.555 174.600 0.139 0.000 1.331 146 S CA -0.279 57.972 58.200 0.085 0.000 1.047 146 S CB 0.209 63.445 63.200 0.060 0.000 0.859 146 S HN 0.467 nan 8.310 nan 0.000 0.514 147 Y N 2.932 123.235 120.300 0.005 0.000 2.544 147 Y HA 0.086 4.636 4.550 -0.000 0.000 0.330 147 Y C 1.256 177.161 175.900 0.008 0.000 1.136 147 Y CA -0.055 58.055 58.100 0.016 0.000 1.417 147 Y CB 0.262 38.749 38.460 0.045 0.000 1.229 147 Y HN 0.593 nan 8.280 nan 0.000 0.532 148 R N 4.701 124.966 120.500 -0.391 0.000 2.577 148 R HA 0.297 4.637 4.340 -0.000 0.000 0.344 148 R C 0.020 175.960 176.300 -0.601 0.000 1.037 148 R CA 0.276 56.108 56.100 -0.446 0.000 1.102 148 R CB 0.569 30.671 30.300 -0.331 0.000 1.313 148 R HN 0.966 nan 8.270 nan 0.000 0.561 149 G N 1.334 109.451 108.800 -1.140 0.000 2.675 149 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 149 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 149 G C -0.345 174.362 174.900 -0.321 0.000 1.215 149 G CA -0.707 43.945 45.100 -0.746 0.000 0.777 149 G HN 0.071 nan 8.290 nan 0.000 0.638 150 D N 0.123 120.390 120.400 -0.222 0.000 2.265 150 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 150 D C 2.399 178.487 176.300 -0.354 0.000 0.977 150 D CA 1.387 55.117 54.000 -0.449 0.000 0.871 150 D CB -0.013 39.996 40.800 -1.319 0.000 0.925 150 D HN 0.497 nan 8.370 nan 0.000 0.485 151 M N -0.600 118.886 119.600 -0.190 0.000 2.460 151 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 151 M C 1.157 177.522 176.300 0.108 0.000 1.071 151 M CA 1.179 56.483 55.300 0.007 0.000 1.096 151 M CB 0.256 32.822 32.600 -0.056 0.000 1.408 151 M HN -0.018 nan 8.290 nan 0.000 0.463 152 I N -0.674 119.888 120.570 -0.012 0.000 3.443 152 I HA 0.072 4.242 4.170 -0.000 0.000 0.277 152 I C 0.215 176.329 176.117 -0.005 0.000 1.169 152 I CA -0.129 61.128 61.300 -0.071 0.000 1.419 152 I CB 0.322 38.068 38.000 -0.423 0.000 1.331 152 I HN 0.327 nan 8.210 nan 0.000 0.458 153 N N 0.228 118.938 118.700 0.016 0.000 3.243 153 N HA 0.362 5.102 4.740 -0.000 0.000 0.280 153 N C -0.589 175.070 175.510 0.248 0.000 1.545 153 N CA -0.492 52.648 53.050 0.149 0.000 0.854 153 N CB 0.427 39.018 38.487 0.174 0.000 1.612 153 N HN -0.052 nan 8.380 nan 0.000 0.577 154 G N -1.346 107.587 108.800 0.222 0.000 2.410 154 G HA2 0.399 4.359 3.960 -0.000 0.000 0.330 154 G HA3 0.399 4.359 3.960 -0.000 0.000 0.330 154 G C -0.408 174.503 174.900 0.017 0.000 1.142 154 G CA -0.733 44.465 45.100 0.162 0.000 0.902 154 G HN 0.473 nan 8.290 nan 0.000 0.491 155 F N 2.380 122.050 119.950 -0.466 0.000 2.293 155 F HA 0.200 4.727 4.527 -0.000 0.000 0.300 155 F C 1.969 177.558 175.800 -0.352 0.000 1.086 155 F CA 0.580 58.074 58.000 -0.844 0.000 1.375 155 F CB 0.022 38.537 39.000 -0.808 0.000 1.045 155 F HN 0.482 nan 8.300 nan 0.000 0.516 156 A N 2.168 124.898 122.820 -0.150 0.000 2.546 156 A HA 0.136 4.456 4.320 -0.000 0.000 0.243 156 A C -2.019 175.438 177.584 -0.211 0.000 1.063 156 A CA -0.835 51.114 52.037 -0.146 0.000 0.757 156 A CB -0.831 18.148 19.000 -0.034 0.000 0.991 156 A HN 0.211 nan 8.150 nan 0.000 0.503 157 P HA 0.105 nan 4.420 nan 0.000 0.231 157 P C -1.052 176.186 177.300 -0.103 0.000 1.756 157 P CA 0.341 63.328 63.100 -0.188 0.000 0.990 157 P CB -0.491 31.098 31.700 -0.184 0.000 1.973 158 D N -0.755 119.601 120.400 -0.074 0.000 2.661 158 D HA 0.233 4.873 4.640 -0.000 0.000 0.228 158 D C 0.514 176.806 176.300 -0.014 0.000 1.210 158 D CA -0.867 53.111 54.000 -0.037 0.000 0.826 158 D CB 1.555 42.340 40.800 -0.025 0.000 1.542 158 D HN -0.077 nan 8.370 nan 0.000 0.447 159 A N 1.732 124.549 122.820 -0.005 0.000 1.884 159 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 159 A C 2.231 179.830 177.584 0.025 0.000 1.197 159 A CA 3.127 55.169 52.037 0.007 0.000 0.637 159 A CB -1.178 17.825 19.000 0.004 0.000 0.827 159 A HN 0.811 nan 8.150 nan 0.000 0.450 160 A N -0.368 122.468 122.820 0.027 0.000 1.883 160 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 160 A C 2.526 180.146 177.584 0.060 0.000 1.186 160 A CA 2.407 54.469 52.037 0.042 0.000 0.624 160 A CB -1.140 17.883 19.000 0.038 0.000 0.822 160 A HN 1.266 nan 8.150 nan 0.000 0.444 161 A N -0.980 121.870 122.820 0.050 0.000 2.024 161 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 161 A C 2.044 179.686 177.584 0.097 0.000 1.164 161 A CA 1.357 53.434 52.037 0.066 0.000 0.643 161 A CB -0.335 18.686 19.000 0.036 0.000 0.806 161 A HN 0.378 nan 8.150 nan 0.000 0.451 162 R N 0.266 120.819 120.500 0.088 0.000 2.317 162 R HA 0.115 4.455 4.340 -0.000 0.000 0.208 162 R C -0.369 176.039 176.300 0.179 0.000 0.914 162 R CA 0.008 56.186 56.100 0.130 0.000 1.060 162 R CB -0.119 30.233 30.300 0.086 0.000 1.015 162 R HN 0.440 nan 8.270 nan 0.000 0.498 163 E N 1.221 121.508 120.200 0.146 0.000 2.392 163 E HA 0.002 4.352 4.350 -0.000 0.000 0.264 163 E C -0.234 176.544 176.600 0.297 0.000 1.024 163 E CA 0.235 56.731 56.400 0.160 0.000 0.903 163 E CB 0.350 30.116 29.700 0.110 0.000 0.963 163 E HN 0.247 nan 8.360 nan 0.000 0.432 164 H N 2.231 121.370 119.070 0.114 0.000 2.944 164 H HA 0.054 4.610 4.556 -0.000 0.000 0.278 164 H C -0.193 175.372 175.328 0.395 0.000 1.083 164 H CA -0.099 56.054 56.048 0.176 0.000 1.479 164 H CB 0.678 30.444 29.762 0.006 0.000 1.486 164 H HN 0.238 nan 8.280 nan 0.000 0.493 165 D N 5.685 126.398 120.400 0.521 0.000 2.425 165 D HA 0.109 4.749 4.640 -0.000 0.000 0.240 165 D C -2.007 174.424 176.300 0.219 0.000 1.080 165 D CA -2.063 52.152 54.000 0.358 0.000 0.836 165 D CB 2.194 43.112 40.800 0.196 0.000 1.125 165 D HN 0.283 nan 8.370 nan 0.000 0.525 166 P HA -0.069 nan 4.420 nan 0.000 0.234 166 P C 1.263 178.333 177.300 -0.384 0.000 1.167 166 P CA 0.489 63.043 63.100 -0.910 0.000 0.763 166 P CB 0.089 31.068 31.700 -1.202 0.000 0.835 167 S N -0.333 115.274 115.700 -0.154 0.000 2.474 167 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 167 S C 1.848 176.435 174.600 -0.022 0.000 0.997 167 S CA 0.422 58.576 58.200 -0.076 0.000 0.949 167 S CB -0.837 62.346 63.200 -0.029 0.000 0.766 167 S HN 0.112 nan 8.310 nan 0.000 0.517 168 R N 0.530 121.053 120.500 0.037 0.000 2.285 168 R HA 0.242 4.581 4.340 -0.000 0.000 0.213 168 R C 1.777 178.139 176.300 0.104 0.000 1.068 168 R CA 0.634 56.815 56.100 0.135 0.000 1.004 168 R CB -0.519 29.929 30.300 0.247 0.000 0.873 168 R HN 0.440 nan 8.270 nan 0.000 0.467 169 L N -0.464 120.775 121.223 0.025 0.000 2.093 169 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 169 L C 2.091 179.052 176.870 0.151 0.000 1.085 169 L CA 0.959 55.863 54.840 0.107 0.000 0.755 169 L CB -0.256 41.849 42.059 0.076 0.000 0.904 169 L HN 0.013 nan 8.230 nan 0.000 0.435 170 V N -0.544 119.406 119.914 0.060 0.000 2.407 170 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 170 V C 2.584 178.693 176.094 0.025 0.000 1.041 170 V CA 1.411 63.758 62.300 0.078 0.000 1.040 170 V CB -0.559 31.273 31.823 0.013 0.000 0.671 170 V HN 0.388 nan 8.190 nan 0.000 0.455 171 R N 0.300 120.742 120.500 -0.097 0.000 2.105 171 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 171 R C 2.301 178.241 176.300 -0.601 0.000 1.135 171 R CA 1.655 57.543 56.100 -0.352 0.000 0.967 171 R CB -0.420 29.643 30.300 -0.394 0.000 0.861 171 R HN 0.505 nan 8.270 nan 0.000 0.442 172 A N 0.089 122.727 122.820 -0.303 0.000 1.877 172 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 172 A C 2.005 179.555 177.584 -0.057 0.000 1.186 172 A CA 1.510 53.411 52.037 -0.227 0.000 0.620 172 A CB -0.951 17.999 19.000 -0.083 0.000 0.822 172 A HN 0.627 nan 8.150 nan 0.000 0.443 173 Y N 0.701 121.051 120.300 0.083 0.000 2.145 173 Y HA -0.101 4.449 4.550 -0.000 0.000 0.286 173 Y C 2.611 178.530 175.900 0.032 0.000 1.145 173 Y CA 1.401 59.602 58.100 0.168 0.000 1.148 173 Y CB -0.661 37.893 38.460 0.157 0.000 0.981 173 Y HN 0.302 nan 8.280 nan 0.000 0.507 174 A N 0.844 123.520 122.820 -0.241 0.000 1.908 174 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 174 A C 2.173 179.569 177.584 -0.314 0.000 1.181 174 A CA 2.014 53.860 52.037 -0.317 0.000 0.627 174 A CB -0.943 17.962 19.000 -0.159 0.000 0.818 174 A HN 0.683 nan 8.150 nan 0.000 0.445 175 N N -0.017 118.495 118.700 -0.313 0.000 2.188 175 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 175 N C 1.945 177.454 175.510 -0.002 0.000 1.018 175 N CA 1.289 54.230 53.050 -0.182 0.000 0.858 175 N CB -0.258 38.043 38.487 -0.310 0.000 0.989 175 N HN 0.501 nan 8.380 nan 0.000 0.426 176 A N 0.312 123.147 122.820 0.025 0.000 1.897 176 A HA -0.065 4.255 4.320 -0.000 0.000 0.215 176 A C 2.465 180.021 177.584 -0.047 0.000 1.181 176 A CA 1.428 53.528 52.037 0.106 0.000 0.620 176 A CB -0.714 18.399 19.000 0.187 0.000 0.821 176 A HN 0.251 nan 8.150 nan 0.000 0.443 177 S N -0.398 115.151 115.700 -0.251 0.000 2.356 177 S HA -0.068 4.402 4.470 -0.000 0.000 0.223 177 S C 2.211 176.735 174.600 -0.126 0.000 1.032 177 S CA 1.597 59.642 58.200 -0.260 0.000 1.005 177 S CB -0.452 62.409 63.200 -0.565 0.000 0.867 177 S HN 0.780 nan 8.310 nan 0.000 0.449 178 A N 1.190 123.938 122.820 -0.120 0.000 1.902 178 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 178 A C 2.414 179.991 177.584 -0.012 0.000 1.181 178 A CA 1.874 53.877 52.037 -0.056 0.000 0.623 178 A CB -1.289 17.677 19.000 -0.056 0.000 0.818 178 A HN 0.690 nan 8.150 nan 0.000 0.443 179 A N -1.110 121.718 122.820 0.013 0.000 1.902 179 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 179 A C 2.186 179.789 177.584 0.032 0.000 1.181 179 A CA 2.187 54.249 52.037 0.043 0.000 0.623 179 A CB -0.486 18.563 19.000 0.082 0.000 0.818 179 A HN 0.522 nan 8.150 nan 0.000 0.443 180 M N 0.398 120.014 119.600 0.026 0.000 2.117 180 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 180 M C 1.761 178.074 176.300 0.023 0.000 1.065 180 M CA 2.114 57.434 55.300 0.032 0.000 1.114 180 M CB -0.720 31.899 32.600 0.031 0.000 1.361 180 M HN 0.534 nan 8.290 nan 0.000 0.408 181 N N -0.151 118.554 118.700 0.008 0.000 2.061 181 N HA -0.206 4.534 4.740 -0.000 0.000 0.193 181 N C 1.527 177.044 175.510 0.012 0.000 1.030 181 N CA 1.787 54.841 53.050 0.008 0.000 0.856 181 N CB -0.417 38.069 38.487 -0.002 0.000 1.023 181 N HN 0.376 nan 8.380 nan 0.000 0.424 182 L N 0.137 121.367 121.223 0.013 0.000 2.017 182 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 182 L C 2.150 179.030 176.870 0.015 0.000 1.073 182 L CA 1.347 56.197 54.840 0.015 0.000 0.745 182 L CB -0.860 41.210 42.059 0.019 0.000 0.894 182 L HN 0.107 nan 8.230 nan 0.000 0.432 183 V N -0.084 119.841 119.914 0.017 0.000 2.332 183 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 183 V C 2.709 178.808 176.094 0.007 0.000 1.055 183 V CA 2.223 64.532 62.300 0.014 0.000 1.038 183 V CB -0.700 31.137 31.823 0.023 0.000 0.651 183 V HN 0.468 nan 8.190 nan 0.000 0.450 184 R N 0.087 120.593 120.500 0.010 0.000 2.075 184 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 184 R C 2.479 178.780 176.300 0.003 0.000 1.126 184 R CA 1.369 57.470 56.100 0.002 0.000 0.963 184 R CB -0.657 29.649 30.300 0.010 0.000 0.858 184 R HN 0.526 nan 8.270 nan 0.000 0.435 185 A N 1.429 124.254 122.820 0.009 0.000 1.865 185 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 185 A C 2.193 179.787 177.584 0.015 0.000 1.191 185 A CA 1.333 53.377 52.037 0.012 0.000 0.623 185 A CB -0.648 18.360 19.000 0.014 0.000 0.826 185 A HN 0.180 nan 8.150 nan 0.000 0.444 186 L N -0.256 120.978 121.223 0.018 0.000 2.056 186 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 186 L C 2.951 179.838 176.870 0.029 0.000 1.078 186 L CA 1.815 56.672 54.840 0.029 0.000 0.749 186 L CB -0.827 41.250 42.059 0.030 0.000 0.901 186 L HN 0.653 nan 8.230 nan 0.000 0.433 187 T N -3.989 110.572 114.554 0.013 0.000 2.995 187 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 187 T C 1.803 176.501 174.700 -0.002 0.000 1.091 187 T CA 1.019 63.121 62.100 0.003 0.000 1.128 187 T CB -0.272 68.582 68.868 -0.024 0.000 0.891 187 T HN 0.404 nan 8.240 nan 0.000 0.492 188 S N 1.236 116.935 115.700 -0.001 0.000 2.535 188 S HA 0.160 4.630 4.470 -0.000 0.000 0.214 188 S C 1.697 176.301 174.600 0.006 0.000 0.980 188 S CA 0.220 58.419 58.200 -0.003 0.000 0.907 188 S CB -0.167 63.029 63.200 -0.005 0.000 0.790 188 S HN 0.622 nan 8.310 nan 0.000 0.510 189 S N -0.987 114.722 115.700 0.015 0.000 2.819 189 S HA 0.648 5.118 4.470 -0.000 0.000 0.249 189 S C 1.070 175.687 174.600 0.028 0.000 1.030 189 S CA 0.257 58.468 58.200 0.019 0.000 1.052 189 S CB 0.450 63.662 63.200 0.020 0.000 1.017 189 S HN 1.097 nan 8.310 nan 0.000 0.576 190 G N 0.943 109.764 108.800 0.033 0.000 3.033 190 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.208 190 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.208 190 G C 0.456 175.394 174.900 0.062 0.000 1.006 190 G CA 0.075 45.198 45.100 0.038 0.000 0.808 190 G HN 0.409 nan 8.290 nan 0.000 0.499 191 L N 1.806 123.087 121.223 0.096 0.000 2.217 191 L HA 0.605 4.945 4.340 -0.000 0.000 0.211 191 L C 2.446 179.420 176.870 0.174 0.000 1.107 191 L CA 2.615 57.565 54.840 0.185 0.000 0.783 191 L CB -0.055 42.107 42.059 0.171 0.000 0.919 191 L HN 0.504 nan 8.230 nan 0.000 0.442 192 A N -1.654 121.218 122.820 0.086 0.000 2.415 192 A HA 0.222 4.542 4.320 -0.000 0.000 0.248 192 A C 1.047 178.636 177.584 0.008 0.000 1.299 192 A CA 0.125 52.197 52.037 0.059 0.000 0.899 192 A CB -0.522 18.497 19.000 0.032 0.000 0.997 192 A HN 0.275 nan 8.150 nan 0.000 0.506 193 S N 0.169 115.862 115.700 -0.012 0.000 2.498 193 S HA 0.177 4.647 4.470 -0.000 0.000 0.281 193 S C 1.247 175.785 174.600 -0.103 0.000 1.265 193 S CA -0.439 57.731 58.200 -0.050 0.000 1.071 193 S CB 0.090 63.267 63.200 -0.038 0.000 0.894 193 S HN 0.481 nan 8.310 nan 0.000 0.491 194 L N 6.187 127.325 121.223 -0.143 0.000 2.043 194 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 194 L C 1.849 178.593 176.870 -0.211 0.000 1.075 194 L CA 2.199 56.917 54.840 -0.202 0.000 0.752 194 L CB -0.933 40.947 42.059 -0.298 0.000 0.891 194 L HN 0.915 nan 8.230 nan 0.000 0.432 195 H N -2.041 116.985 119.070 -0.073 0.000 2.357 195 H HA -0.128 4.428 4.556 -0.000 0.000 0.301 195 H C 1.972 177.203 175.328 -0.162 0.000 1.082 195 H CA 1.483 57.488 56.048 -0.071 0.000 1.342 195 H CB -0.079 29.648 29.762 -0.059 0.000 1.389 195 H HN 0.319 nan 8.280 nan 0.000 0.511 196 L N 0.448 121.577 121.223 -0.156 0.000 2.017 196 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 196 L C 2.020 178.371 176.870 -0.865 0.000 1.073 196 L CA 1.196 55.758 54.840 -0.464 0.000 0.745 196 L CB -0.434 41.364 42.059 -0.436 0.000 0.894 196 L HN 0.088 nan 8.230 nan 0.000 0.432 197 V N -0.712 118.850 119.914 -0.587 0.000 2.343 197 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 197 V C 2.547 178.589 176.094 -0.087 0.000 1.051 197 V CA 2.097 64.180 62.300 -0.360 0.000 1.036 197 V CB -1.085 30.754 31.823 0.028 0.000 0.654 197 V HN 0.650 nan 8.190 nan 0.000 0.451 198 H N 0.399 119.384 119.070 -0.141 0.000 2.457 198 H HA -0.110 4.446 4.556 -0.000 0.000 0.294 198 H C 2.010 177.326 175.328 -0.020 0.000 1.064 198 H CA 1.491 57.520 56.048 -0.032 0.000 1.330 198 H CB -0.231 29.518 29.762 -0.022 0.000 1.395 198 H HN 0.396 nan 8.280 nan 0.000 0.541 199 D N -0.227 120.080 120.400 -0.155 0.000 2.123 199 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 199 D C 1.842 178.089 176.300 -0.088 0.000 0.992 199 D CA 0.927 54.816 54.000 -0.186 0.000 0.833 199 D CB -0.379 40.277 40.800 -0.239 0.000 0.954 199 D HN 0.514 nan 8.370 nan 0.000 0.455 200 W N 1.417 122.725 121.300 0.014 0.000 2.363 200 W HA -0.057 4.603 4.660 -0.000 0.000 0.296 200 W C 2.008 178.558 176.519 0.052 0.000 1.212 200 W CA 0.322 57.686 57.345 0.032 0.000 1.260 200 W CB -1.178 28.300 29.460 0.031 0.000 1.131 200 W HN 0.040 nan 8.180 nan 0.000 0.530 201 N N 0.295 119.121 118.700 0.210 0.000 2.166 201 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 201 N C 1.768 177.366 175.510 0.146 0.000 1.019 201 N CA 1.275 54.442 53.050 0.195 0.000 0.856 201 N CB -0.607 37.966 38.487 0.143 0.000 0.993 201 N HN 0.213 nan 8.380 nan 0.000 0.426 202 R N 0.334 120.790 120.500 -0.072 0.000 2.090 202 R HA -0.051 4.289 4.340 -0.000 0.000 0.228 202 R C 1.870 178.193 176.300 0.039 0.000 1.110 202 R CA 0.881 56.949 56.100 -0.054 0.000 0.973 202 R CB -0.109 30.112 30.300 -0.131 0.000 0.869 202 R HN 0.158 nan 8.270 nan 0.000 0.440 203 E N 0.632 120.888 120.200 0.092 0.000 2.153 203 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 203 E C 1.462 178.143 176.600 0.136 0.000 0.988 203 E CA 1.131 57.598 56.400 0.112 0.000 0.811 203 E CB -0.216 29.584 29.700 0.166 0.000 0.746 203 E HN 0.301 nan 8.360 nan 0.000 0.466 204 F N -0.115 119.868 119.950 0.055 0.000 2.113 204 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 204 F C 1.941 177.747 175.800 0.011 0.000 1.103 204 F CA 1.286 59.312 58.000 0.043 0.000 1.248 204 F CB -0.541 38.505 39.000 0.077 0.000 0.999 204 F HN -0.074 nan 8.300 nan 0.000 0.475 205 V N 1.012 120.840 119.914 -0.143 0.000 2.568 205 V HA -0.261 3.859 4.120 -0.000 0.000 0.253 205 V C 2.576 178.523 176.094 -0.245 0.000 1.072 205 V CA 2.181 64.307 62.300 -0.291 0.000 1.084 205 V CB -0.794 30.988 31.823 -0.068 0.000 0.676 205 V HN 0.350 nan 8.190 nan 0.000 0.469 206 R N -0.245 120.167 120.500 -0.147 0.000 2.173 206 R HA -0.056 4.284 4.340 -0.000 0.000 0.208 206 R C 2.124 178.352 176.300 -0.119 0.000 1.035 206 R CA 1.523 57.561 56.100 -0.104 0.000 1.004 206 R CB 0.127 30.398 30.300 -0.048 0.000 0.917 206 R HN 0.694 nan 8.270 nan 0.000 0.462 207 T N -3.499 110.966 114.554 -0.148 0.000 2.975 207 T HA 0.101 4.451 4.350 -0.000 0.000 0.261 207 T C 0.616 175.217 174.700 -0.166 0.000 0.984 207 T CA -0.129 61.902 62.100 -0.116 0.000 0.911 207 T CB 0.344 69.182 68.868 -0.050 0.000 1.127 207 T HN 0.037 nan 8.240 nan 0.000 0.514 208 S N 2.900 118.408 115.700 -0.319 0.000 2.576 208 S HA 0.302 4.772 4.470 -0.000 0.000 0.276 208 S C -1.018 173.436 174.600 -0.245 0.000 1.339 208 S CA -1.023 56.974 58.200 -0.338 0.000 1.039 208 S CB 1.138 63.887 63.200 -0.752 0.000 0.902 208 S HN 0.149 nan 8.310 nan 0.000 0.516 209 P HA 0.057 nan 4.420 nan 0.000 0.221 209 P C 1.070 178.288 177.300 -0.138 0.000 1.150 209 P CA 1.158 64.185 63.100 -0.122 0.000 0.800 209 P CB -0.200 31.452 31.700 -0.080 0.000 0.787 210 A N 0.194 122.929 122.820 -0.142 0.000 2.119 210 A HA 0.170 4.490 4.320 -0.000 0.000 0.216 210 A C 2.444 179.885 177.584 -0.238 0.000 1.152 210 A CA 1.096 53.050 52.037 -0.138 0.000 0.708 210 A CB -1.700 17.311 19.000 0.018 0.000 0.805 210 A HN 0.233 nan 8.150 nan 0.000 0.460 211 G N 0.665 109.276 108.800 -0.314 0.000 2.679 211 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.222 211 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.222 211 G C 1.786 176.521 174.900 -0.275 0.000 1.164 211 G CA 1.886 46.764 45.100 -0.370 0.000 0.769 211 G HN 0.955 nan 8.290 nan 0.000 0.610 212 A N 0.253 122.931 122.820 -0.236 0.000 1.958 212 A HA -0.165 4.155 4.320 -0.000 0.000 0.221 212 A C 2.356 179.785 177.584 -0.259 0.000 1.178 212 A CA 2.124 54.041 52.037 -0.199 0.000 0.642 212 A CB -0.542 18.364 19.000 -0.157 0.000 0.816 212 A HN 0.425 nan 8.150 nan 0.000 0.453 213 R N -2.030 118.218 120.500 -0.420 0.000 2.120 213 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 213 R C 0.675 176.602 176.300 -0.622 0.000 1.123 213 R CA 1.669 57.400 56.100 -0.615 0.000 0.975 213 R CB -0.186 29.526 30.300 -0.980 0.000 0.866 213 R HN 0.659 nan 8.270 nan 0.000 0.446 214 Y N -0.518 119.661 120.300 -0.201 0.000 2.555 214 Y HA 0.167 4.717 4.550 -0.000 0.000 0.259 214 Y C 1.694 177.468 175.900 -0.211 0.000 1.179 214 Y CA -0.506 57.409 58.100 -0.308 0.000 1.230 214 Y CB 0.181 38.161 38.460 -0.799 0.000 1.146 214 Y HN 0.050 nan 8.280 nan 0.000 0.526 215 E N 1.240 121.409 120.200 -0.051 0.000 2.072 215 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 215 E C 2.166 178.789 176.600 0.039 0.000 0.985 215 E CA 1.135 57.525 56.400 -0.016 0.000 0.801 215 E CB 0.165 29.837 29.700 -0.048 0.000 0.750 215 E HN 0.411 nan 8.360 nan 0.000 0.452 216 A N 1.434 124.277 122.820 0.039 0.000 1.858 216 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 216 A C 2.253 179.904 177.584 0.110 0.000 1.190 216 A CA 1.532 53.605 52.037 0.061 0.000 0.617 216 A CB -0.786 18.243 19.000 0.048 0.000 0.827 216 A HN 0.345 nan 8.150 nan 0.000 0.443 217 L N -0.333 121.001 121.223 0.184 0.000 2.093 217 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 217 L C 2.693 179.714 176.870 0.252 0.000 1.085 217 L CA 2.046 57.034 54.840 0.248 0.000 0.755 217 L CB -0.799 41.514 42.059 0.422 0.000 0.904 217 L HN 0.360 nan 8.230 nan 0.000 0.435 218 A N -1.885 121.141 122.820 0.343 0.000 1.902 218 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 218 A C 2.319 180.048 177.584 0.242 0.000 1.181 218 A CA 2.292 54.555 52.037 0.375 0.000 0.623 218 A CB -1.124 18.042 19.000 0.277 0.000 0.818 218 A HN 0.468 nan 8.150 nan 0.000 0.443 219 T N -0.911 113.725 114.554 0.136 0.000 2.821 219 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 219 T C 1.868 176.590 174.700 0.036 0.000 1.046 219 T CA 1.480 63.631 62.100 0.086 0.000 1.139 219 T CB -0.134 68.766 68.868 0.052 0.000 0.871 219 T HN 0.713 nan 8.240 nan 0.000 0.454 220 E N 0.390 120.589 120.200 -0.001 0.000 2.106 220 E HA -0.078 4.271 4.350 -0.000 0.000 0.192 220 E C 2.077 178.498 176.600 -0.298 0.000 0.984 220 E CA 0.835 57.189 56.400 -0.076 0.000 0.806 220 E CB -0.157 29.532 29.700 -0.018 0.000 0.750 220 E HN 0.486 nan 8.360 nan 0.000 0.458 221 I N 1.069 121.368 120.570 -0.453 0.000 2.142 221 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 221 I C 2.330 178.223 176.117 -0.372 0.000 1.078 221 I CA 1.594 62.469 61.300 -0.709 0.000 1.343 221 I CB -0.397 37.222 38.000 -0.635 0.000 1.046 221 I HN 0.202 nan 8.210 nan 0.000 0.405 222 D N 0.965 121.326 120.400 -0.065 0.000 2.126 222 D HA -0.245 4.395 4.640 -0.000 0.000 0.190 222 D C 2.301 178.623 176.300 0.037 0.000 1.001 222 D CA 1.779 55.835 54.000 0.093 0.000 0.841 222 D CB 0.004 40.934 40.800 0.216 0.000 0.949 222 D HN 0.102 nan 8.370 nan 0.000 0.446 223 R N -0.545 119.966 120.500 0.018 0.000 2.120 223 R HA 0.004 4.344 4.340 -0.000 0.000 0.234 223 R C 2.471 178.814 176.300 0.072 0.000 1.123 223 R CA 1.146 57.267 56.100 0.034 0.000 0.975 223 R CB -0.472 29.832 30.300 0.007 0.000 0.866 223 R HN 0.281 nan 8.270 nan 0.000 0.446 224 G N 0.923 109.747 108.800 0.039 0.000 2.459 224 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 224 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 224 G C 1.371 176.377 174.900 0.176 0.000 1.183 224 G CA 0.529 45.724 45.100 0.158 0.000 0.776 224 G HN 0.151 nan 8.290 nan 0.000 0.552 225 L N -0.317 120.948 121.223 0.070 0.000 2.017 225 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 225 L C 3.243 180.225 176.870 0.185 0.000 1.073 225 L CA 1.232 56.137 54.840 0.109 0.000 0.745 225 L CB -0.258 41.860 42.059 0.099 0.000 0.894 225 L HN 0.162 nan 8.230 nan 0.000 0.432 226 R N -1.048 119.547 120.500 0.159 0.000 2.075 226 R HA -0.181 4.159 4.340 -0.000 0.000 0.232 226 R C 2.276 178.689 176.300 0.188 0.000 1.126 226 R CA 1.481 57.664 56.100 0.138 0.000 0.963 226 R CB -0.513 29.848 30.300 0.102 0.000 0.858 226 R HN 0.233 nan 8.270 nan 0.000 0.435 227 F N 1.289 121.264 119.950 0.041 0.000 2.115 227 F HA -0.371 4.156 4.527 -0.000 0.000 0.300 227 F C 2.230 178.055 175.800 0.041 0.000 1.092 227 F CA 1.386 59.409 58.000 0.039 0.000 1.245 227 F CB 0.011 39.038 39.000 0.044 0.000 0.995 227 F HN 0.017 nan 8.300 nan 0.000 0.481 228 M N -0.632 118.982 119.600 0.024 0.000 2.086 228 M HA -0.235 4.245 4.480 -0.000 0.000 0.261 228 M C 2.276 178.548 176.300 -0.047 0.000 1.067 228 M CA 1.925 57.180 55.300 -0.074 0.000 1.116 228 M CB -0.510 32.098 32.600 0.014 0.000 1.348 228 M HN 0.067 nan 8.290 nan 0.000 0.407 229 S N 0.849 116.567 115.700 0.030 0.000 2.356 229 S HA -0.119 4.351 4.470 -0.000 0.000 0.223 229 S C 2.098 176.686 174.600 -0.020 0.000 1.032 229 S CA 1.375 59.579 58.200 0.007 0.000 1.005 229 S CB -0.520 62.680 63.200 -0.001 0.000 0.867 229 S HN 0.570 nan 8.310 nan 0.000 0.449 230 A N 0.244 123.063 122.820 -0.003 0.000 1.978 230 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 230 A C 2.154 179.708 177.584 -0.050 0.000 1.170 230 A CA 1.458 53.500 52.037 0.008 0.000 0.636 230 A CB -1.058 18.002 19.000 0.100 0.000 0.810 230 A HN 0.622 nan 8.150 nan 0.000 0.448 231 C N -1.075 118.136 119.300 -0.148 0.000 2.626 231 C HA 0.419 4.879 4.460 -0.000 0.000 0.266 231 C C 1.850 176.777 174.990 -0.106 0.000 1.317 231 C CA 0.089 59.000 59.018 -0.178 0.000 1.716 231 C CB -1.397 26.128 27.740 -0.358 0.000 1.819 231 C HN 1.077 nan 8.230 nan 0.000 0.578 232 G N 1.607 110.364 108.800 -0.072 0.000 2.273 232 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.280 232 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.280 232 G C 0.134 175.007 174.900 -0.045 0.000 1.047 232 G CA 0.457 45.530 45.100 -0.045 0.000 0.869 232 G HN 1.035 nan 8.290 nan 0.000 0.502 233 V N -2.230 117.652 119.914 -0.054 0.000 2.843 233 V HA 0.711 4.831 4.120 -0.000 0.000 0.305 233 V C 1.133 177.214 176.094 -0.022 0.000 1.065 233 V CA -0.237 62.036 62.300 -0.045 0.000 1.116 233 V CB 1.066 32.858 31.823 -0.052 0.000 0.968 233 V HN 1.902 nan 8.190 nan 0.000 0.487 234 A N 3.575 126.383 122.820 -0.019 0.000 2.535 234 A HA 0.166 4.486 4.320 -0.000 0.000 0.290 234 A C 1.038 178.619 177.584 -0.006 0.000 1.270 234 A CA 0.427 52.458 52.037 -0.011 0.000 0.937 234 A CB -0.656 18.338 19.000 -0.011 0.000 1.096 234 A HN 1.112 nan 8.150 nan 0.000 0.534 235 D N 2.864 123.266 120.400 0.004 0.000 2.325 235 D HA -0.088 4.552 4.640 -0.000 0.000 0.234 235 D C 1.242 177.548 176.300 0.009 0.000 1.122 235 D CA -0.109 53.901 54.000 0.016 0.000 0.850 235 D CB -0.112 40.718 40.800 0.050 0.000 0.921 235 D HN 0.686 nan 8.370 nan 0.000 0.513 236 R N 0.763 121.264 120.500 0.001 0.000 2.081 236 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 236 R C 1.420 177.715 176.300 -0.008 0.000 1.131 236 R CA 1.177 57.276 56.100 -0.002 0.000 0.960 236 R CB -0.062 30.236 30.300 -0.003 0.000 0.856 236 R HN 0.097 nan 8.270 nan 0.000 0.436 237 N N 0.496 119.188 118.700 -0.013 0.000 2.521 237 N HA -0.061 4.679 4.740 -0.000 0.000 0.188 237 N C 1.016 176.507 175.510 -0.031 0.000 1.146 237 N CA 0.594 53.633 53.050 -0.018 0.000 0.893 237 N CB 0.296 38.773 38.487 -0.016 0.000 0.975 237 N HN 0.353 nan 8.380 nan 0.000 0.451 238 L N 0.225 121.425 121.223 -0.038 0.000 2.567 238 L HA 0.100 4.440 4.340 -0.000 0.000 0.225 238 L C 1.741 178.573 176.870 -0.064 0.000 1.119 238 L CA 0.276 55.071 54.840 -0.076 0.000 0.871 238 L CB 0.081 42.074 42.059 -0.110 0.000 1.036 238 L HN -0.058 nan 8.230 nan 0.000 0.459 239 Q N 0.011 119.794 119.800 -0.029 0.000 2.376 239 Q HA 0.089 4.429 4.340 -0.000 0.000 0.206 239 Q C 0.972 176.964 176.000 -0.014 0.000 0.921 239 Q CA 0.720 56.514 55.803 -0.014 0.000 0.911 239 Q CB 0.568 29.307 28.738 0.000 0.000 1.032 239 Q HN 0.522 nan 8.270 nan 0.000 0.510 240 T N -2.680 111.863 114.554 -0.018 0.000 2.865 240 T HA 0.855 5.205 4.350 -0.000 0.000 0.294 240 T C -1.035 173.651 174.700 -0.024 0.000 1.119 240 T CA -0.593 61.497 62.100 -0.017 0.000 1.007 240 T CB 2.414 71.272 68.868 -0.017 0.000 1.225 240 T HN 0.071 nan 8.240 nan 0.000 0.515 241 A N 0.603 123.405 122.820 -0.029 0.000 2.587 241 A HA 0.755 5.074 4.320 -0.000 0.000 0.293 241 A C -1.211 176.328 177.584 -0.075 0.000 1.087 241 A CA -0.987 51.029 52.037 -0.036 0.000 0.692 241 A CB 1.370 20.360 19.000 -0.018 0.000 1.291 241 A HN 0.875 nan 8.150 nan 0.000 0.407 242 E N 0.802 120.936 120.200 -0.110 0.000 2.156 242 E HA 0.517 4.867 4.350 -0.000 0.000 0.279 242 E C -1.127 175.298 176.600 -0.292 0.000 0.965 242 E CA -0.192 56.049 56.400 -0.264 0.000 0.789 242 E CB 1.623 31.119 29.700 -0.340 0.000 1.098 242 E HN 0.468 nan 8.360 nan 0.000 0.397 243 I N 4.300 124.675 120.570 -0.325 0.000 2.390 243 I HA 0.224 4.394 4.170 -0.000 0.000 0.283 243 I C -0.722 175.235 176.117 -0.267 0.000 1.016 243 I CA -0.742 60.440 61.300 -0.197 0.000 1.151 243 I CB 0.348 38.308 38.000 -0.066 0.000 1.293 243 I HN 0.458 nan 8.210 nan 0.000 0.458 244 Y N 4.034 124.311 120.300 -0.038 0.000 2.314 244 Y HA 0.449 4.999 4.550 -0.000 0.000 0.334 244 Y C 0.878 176.895 175.900 0.194 0.000 1.266 244 Y CA -0.267 57.818 58.100 -0.024 0.000 1.391 244 Y CB 0.838 39.226 38.460 -0.120 0.000 1.306 244 Y HN 0.584 nan 8.280 nan 0.000 0.558 245 A N 1.613 124.807 122.820 0.623 0.000 2.312 245 A HA 0.742 5.062 4.320 -0.000 0.000 0.326 245 A C -0.443 177.336 177.584 0.326 0.000 1.172 245 A CA -0.210 52.045 52.037 0.365 0.000 0.821 245 A CB 0.529 19.688 19.000 0.266 0.000 1.166 245 A HN 0.749 nan 8.150 nan 0.000 0.493 246 S N 1.295 117.160 115.700 0.275 0.000 2.607 246 S HA 0.900 5.370 4.470 -0.000 0.000 0.273 246 S C -0.933 173.834 174.600 0.279 0.000 1.148 246 S CA -0.588 57.764 58.200 0.254 0.000 0.833 246 S CB 1.673 65.074 63.200 0.335 0.000 1.130 246 S HN 1.553 nan 8.310 nan 0.000 0.470 247 H N -0.766 118.289 119.070 -0.025 0.000 3.037 247 H HA 0.450 5.005 4.556 -0.000 0.000 0.336 247 H C -1.249 173.337 175.328 -1.238 0.000 1.323 247 H CA -0.569 55.237 56.048 -0.404 0.000 1.159 247 H CB 0.962 30.595 29.762 -0.216 0.000 1.882 247 H HN 0.853 nan 8.280 nan 0.000 0.535 248 E N 1.235 120.381 120.200 -1.756 0.000 2.493 248 E HA 0.247 4.597 4.350 -0.000 0.000 0.255 248 E C -0.236 176.021 176.600 -0.572 0.000 0.999 248 E CA -0.061 55.416 56.400 -1.539 0.000 0.934 248 E CB 0.262 29.462 29.700 -0.833 0.000 0.940 248 E HN 0.588 nan 8.360 nan 0.000 0.473 249 A N 5.567 128.096 122.820 -0.486 0.000 2.544 249 A HA 0.112 4.432 4.320 -0.000 0.000 0.301 249 A C 0.213 177.766 177.584 -0.052 0.000 1.368 249 A CA -0.272 51.678 52.037 -0.147 0.000 1.045 249 A CB 0.161 19.119 19.000 -0.070 0.000 1.129 249 A HN 0.685 nan 8.150 nan 0.000 0.540 250 L N 3.931 125.149 121.223 -0.008 0.000 2.586 250 L HA 0.294 4.634 4.340 -0.000 0.000 0.204 250 L C 0.463 177.401 176.870 0.113 0.000 1.053 250 L CA 1.206 56.060 54.840 0.024 0.000 0.856 250 L CB 0.374 42.383 42.059 -0.083 0.000 1.192 250 L HN 0.297 nan 8.230 nan 0.000 0.484 251 V N 2.790 122.737 119.914 0.054 0.000 2.322 251 V HA 0.111 4.231 4.120 -0.000 0.000 0.258 251 V C 1.479 177.607 176.094 0.056 0.000 1.074 251 V CA 0.025 62.364 62.300 0.065 0.000 0.909 251 V CB 0.634 32.511 31.823 0.091 0.000 1.090 251 V HN 0.316 nan 8.190 nan 0.000 0.486 252 L N 1.870 123.060 121.223 -0.054 0.000 2.191 252 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 252 L C 2.029 178.864 176.870 -0.059 0.000 1.103 252 L CA 0.998 55.714 54.840 -0.207 0.000 0.769 252 L CB -0.260 41.603 42.059 -0.327 0.000 0.908 252 L HN 0.577 nan 8.230 nan 0.000 0.438 253 D N -0.591 119.870 120.400 0.101 0.000 2.149 253 D HA -0.245 4.395 4.640 -0.000 0.000 0.198 253 D C 1.854 178.250 176.300 0.161 0.000 0.990 253 D CA 1.413 55.508 54.000 0.159 0.000 0.839 253 D CB -0.031 40.953 40.800 0.306 0.000 0.948 253 D HN 0.332 nan 8.370 nan 0.000 0.460 254 Y N 1.804 122.143 120.300 0.066 0.000 2.153 254 Y HA -0.122 4.428 4.550 -0.000 0.000 0.289 254 Y C 2.167 178.098 175.900 0.052 0.000 1.127 254 Y CA 1.293 59.435 58.100 0.069 0.000 1.131 254 Y CB 0.072 38.591 38.460 0.098 0.000 0.995 254 Y HN -0.183 nan 8.280 nan 0.000 0.505 255 E N 0.705 120.939 120.200 0.057 0.000 2.150 255 E HA -0.199 4.150 4.350 -0.000 0.000 0.193 255 E C 2.193 178.830 176.600 0.062 0.000 0.985 255 E CA 1.514 57.906 56.400 -0.014 0.000 0.814 255 E CB -0.415 29.166 29.700 -0.199 0.000 0.752 255 E HN 0.687 nan 8.360 nan 0.000 0.466 256 R N 0.751 121.251 120.500 -0.000 0.000 2.115 256 R HA 0.149 4.489 4.340 -0.000 0.000 0.226 256 R C 2.120 178.460 176.300 0.066 0.000 1.100 256 R CA 1.168 57.362 56.100 0.157 0.000 0.980 256 R CB -0.379 30.001 30.300 0.133 0.000 0.875 256 R HN 0.041 nan 8.270 nan 0.000 0.445 257 A N 1.176 123.985 122.820 -0.019 0.000 2.066 257 A HA 0.075 4.395 4.320 -0.000 0.000 0.218 257 A C 1.838 179.356 177.584 -0.111 0.000 1.157 257 A CA 0.737 52.733 52.037 -0.068 0.000 0.670 257 A CB -0.072 18.872 19.000 -0.093 0.000 0.804 257 A HN 0.213 nan 8.150 nan 0.000 0.453 258 M N -0.135 119.388 119.600 -0.129 0.000 2.428 258 M HA 0.313 4.793 4.480 -0.000 0.000 0.239 258 M C 0.025 176.326 176.300 0.002 0.000 1.121 258 M CA -0.052 55.177 55.300 -0.118 0.000 1.019 258 M CB -0.903 31.567 32.600 -0.217 0.000 1.485 258 M HN 0.212 nan 8.290 nan 0.000 0.484 259 L N 2.053 123.306 121.223 0.051 0.000 2.490 259 L HA 0.065 4.405 4.340 -0.000 0.000 0.274 259 L C 0.493 177.391 176.870 0.047 0.000 1.201 259 L CA 0.417 55.301 54.840 0.074 0.000 0.869 259 L CB 0.113 42.220 42.059 0.080 0.000 1.123 259 L HN 0.143 nan 8.230 nan 0.000 0.484 260 R N 2.774 123.318 120.500 0.074 0.000 2.774 260 R HA 0.544 4.884 4.340 -0.000 0.000 0.272 260 R C -1.363 175.002 176.300 0.108 0.000 1.000 260 R CA -1.101 55.037 56.100 0.064 0.000 0.906 260 R CB 2.009 32.334 30.300 0.041 0.000 1.227 260 R HN 0.325 nan 8.270 nan 0.000 0.468 261 L N 1.347 122.619 121.223 0.080 0.000 2.282 261 L HA 0.368 4.708 4.340 -0.000 0.000 0.288 261 L C 0.308 177.241 176.870 0.105 0.000 1.033 261 L CA 0.036 54.937 54.840 0.101 0.000 0.807 261 L CB 1.405 43.496 42.059 0.053 0.000 1.209 261 L HN 0.806 nan 8.230 nan 0.000 0.423 262 S N 2.067 117.871 115.700 0.173 0.000 2.608 262 S HA 0.322 4.792 4.470 -0.000 0.000 0.261 262 S C -0.346 174.285 174.600 0.051 0.000 1.314 262 S CA -0.437 57.813 58.200 0.083 0.000 0.992 262 S CB 0.449 63.714 63.200 0.107 0.000 0.935 262 S HN 0.733 nan 8.310 nan 0.000 0.564 263 D N 0.066 120.475 120.400 0.015 0.000 2.345 263 D HA 0.411 5.051 4.640 -0.000 0.000 0.247 263 D C 1.517 177.830 176.300 0.022 0.000 1.108 263 D CA -0.089 53.919 54.000 0.013 0.000 0.894 263 D CB 0.204 41.004 40.800 -0.000 0.000 1.203 263 D HN 0.548 nan 8.370 nan 0.000 0.430 264 G N 1.906 110.718 108.800 0.020 0.000 2.766 264 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.222 264 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.222 264 G C 0.597 175.509 174.900 0.021 0.000 1.225 264 G CA 1.646 46.758 45.100 0.021 0.000 0.784 264 G HN 0.990 nan 8.290 nan 0.000 0.631 268 E N -2.009 118.202 120.200 0.017 0.000 6.136 268 E HA 0.324 4.674 4.350 -0.000 0.000 0.552 268 E C -3.241 173.386 176.600 0.046 0.000 1.210 268 E CA -0.089 56.322 56.400 0.019 0.000 3.026 268 E CB -2.168 27.532 29.700 -0.001 0.000 0.788 268 E HN 0.908 nan 8.360 nan 0.000 0.262 269 P HA 0.479 nan 4.420 nan 0.000 0.275 269 P C -0.440 176.897 177.300 0.062 0.000 1.227 269 P CA 0.023 63.167 63.100 0.074 0.000 0.781 269 P CB 0.755 32.485 31.700 0.049 0.000 0.906 270 Q N 0.735 120.601 119.800 0.111 0.000 2.528 270 Q HA 0.508 4.847 4.340 -0.000 0.000 0.289 270 Q C -1.140 174.862 176.000 0.004 0.000 1.091 270 Q CA -1.215 54.580 55.803 -0.014 0.000 0.797 270 Q CB 1.556 30.187 28.738 -0.178 0.000 1.466 270 Q HN 0.177 nan 8.270 nan 0.000 0.436 271 L N 1.505 122.650 121.223 -0.130 0.000 2.313 271 L HA 0.405 4.745 4.340 -0.000 0.000 0.282 271 L C -1.376 175.360 176.870 -0.224 0.000 1.092 271 L CA 0.614 55.395 54.840 -0.100 0.000 0.831 271 L CB -0.093 41.881 42.059 -0.142 0.000 1.159 271 L HN 0.435 nan 8.230 nan 0.000 0.442 272 F N 2.087 122.012 119.950 -0.042 0.000 2.532 272 F HA 0.310 4.837 4.527 -0.000 0.000 0.321 272 F C 0.142 175.933 175.800 -0.016 0.000 1.089 272 F CA -0.952 57.031 58.000 -0.028 0.000 0.926 272 F CB 1.676 40.675 39.000 -0.001 0.000 1.168 272 F HN 0.351 nan 8.300 nan 0.000 0.459 273 D N 3.435 123.952 120.400 0.196 0.000 2.347 273 D HA 0.221 4.861 4.640 -0.000 0.000 0.235 273 D C 0.053 176.450 176.300 0.160 0.000 1.149 273 D CA 0.056 54.160 54.000 0.174 0.000 0.850 273 D CB 0.791 41.718 40.800 0.212 0.000 1.061 273 D HN 0.520 nan 8.370 nan 0.000 0.487 274 L N 3.213 124.502 121.223 0.110 0.000 2.737 274 L HA 0.056 4.396 4.340 -0.000 0.000 0.236 274 L C 1.746 178.654 176.870 0.063 0.000 1.219 274 L CA -0.095 54.782 54.840 0.061 0.000 1.021 274 L CB -0.225 41.850 42.059 0.028 0.000 1.291 274 L HN 0.333 nan 8.230 nan 0.000 0.470 275 S N -1.142 114.623 115.700 0.108 0.000 2.558 275 S HA 0.394 4.864 4.470 -0.000 0.000 0.217 275 S C 0.714 175.475 174.600 0.269 0.000 0.975 275 S CA 0.200 58.515 58.200 0.192 0.000 0.912 275 S CB 0.384 63.749 63.200 0.274 0.000 0.776 275 S HN 0.346 nan 8.310 nan 0.000 0.526 276 A N -0.208 122.697 122.820 0.142 0.000 2.511 276 A HA 0.670 4.990 4.320 -0.000 0.000 0.293 276 A C -0.297 177.265 177.584 -0.036 0.000 1.098 276 A CA -0.578 51.511 52.037 0.087 0.000 0.643 276 A CB -0.201 18.878 19.000 0.132 0.000 1.302 276 A HN 0.238 nan 8.150 nan 0.000 0.446 277 H N -0.712 118.455 119.070 0.162 0.000 2.388 277 H HA 0.327 4.883 4.556 -0.000 0.000 0.304 277 H C 0.859 176.246 175.328 0.098 0.000 1.049 277 H CA 1.764 57.905 56.048 0.154 0.000 1.371 277 H CB 0.591 30.493 29.762 0.234 0.000 1.436 277 H HN 0.667 nan 8.280 nan 0.000 0.544 278 T N 0.323 114.998 114.554 0.202 0.000 2.896 278 T HA 0.552 4.902 4.350 -0.000 0.000 0.297 278 T C -1.408 173.328 174.700 0.060 0.000 1.108 278 T CA -0.494 61.677 62.100 0.117 0.000 1.004 278 T CB 1.138 70.065 68.868 0.098 0.000 1.159 278 T HN 0.116 nan 8.240 nan 0.000 0.499 279 V N 1.049 120.982 119.914 0.031 0.000 3.130 279 V HA 1.036 5.155 4.120 -0.000 0.000 0.310 279 V C -1.414 174.735 176.094 0.091 0.000 1.158 279 V CA -1.206 61.028 62.300 -0.109 0.000 1.029 279 V CB 1.550 33.216 31.823 -0.261 0.000 1.057 279 V HN 1.138 nan 8.190 nan 0.000 0.436 280 W N 1.288 122.566 121.300 -0.036 0.000 2.992 280 W HA 0.929 5.589 4.660 -0.000 0.000 0.342 280 W C -1.785 174.708 176.519 -0.044 0.000 1.176 280 W CA -1.572 55.752 57.345 -0.035 0.000 1.118 280 W CB 1.091 30.534 29.460 -0.028 0.000 1.457 280 W HN 0.593 nan 8.180 nan 0.000 0.573 281 I N 2.755 123.424 120.570 0.165 0.000 2.378 281 I HA 0.578 4.748 4.170 -0.000 0.000 0.291 281 I C 1.000 177.185 176.117 0.113 0.000 0.992 281 I CA -0.544 60.775 61.300 0.031 0.000 1.154 281 I CB 1.333 39.338 38.000 0.009 0.000 1.315 281 I HN 0.755 nan 8.210 nan 0.000 0.448 282 G N 3.527 112.341 108.800 0.024 0.000 2.616 282 G HA2 0.100 4.060 3.960 -0.000 0.000 0.268 282 G HA3 0.100 4.060 3.960 -0.000 0.000 0.268 282 G C 0.705 175.579 174.900 -0.044 0.000 1.213 282 G CA -0.238 44.883 45.100 0.035 0.000 0.926 282 G HN 0.625 nan 8.290 nan 0.000 0.523 283 E N -0.067 120.104 120.200 -0.048 0.000 2.097 283 E HA -0.125 4.225 4.350 -0.000 0.000 0.196 283 E C 2.455 179.038 176.600 -0.029 0.000 1.000 283 E CA 0.984 57.363 56.400 -0.035 0.000 0.804 283 E CB 0.016 29.702 29.700 -0.025 0.000 0.740 283 E HN 0.460 nan 8.360 nan 0.000 0.454 284 R N -0.350 120.118 120.500 -0.053 0.000 2.317 284 R HA 0.037 4.377 4.340 -0.000 0.000 0.208 284 R C 1.110 177.362 176.300 -0.080 0.000 0.914 284 R CA 0.925 56.996 56.100 -0.050 0.000 1.060 284 R CB 0.413 30.683 30.300 -0.050 0.000 1.015 284 R HN 0.086 nan 8.270 nan 0.000 0.498 285 T N -2.623 111.851 114.554 -0.135 0.000 3.209 285 T HA 0.107 4.457 4.350 -0.000 0.000 0.295 285 T C 0.798 175.442 174.700 -0.094 0.000 0.977 285 T CA -0.638 61.320 62.100 -0.238 0.000 0.922 285 T CB 0.140 68.564 68.868 -0.740 0.000 1.152 285 T HN 0.216 nan 8.240 nan 0.000 0.527 286 R N 0.764 121.262 120.500 -0.004 0.000 2.568 286 R HA 0.384 4.723 4.340 -0.000 0.000 0.288 286 R C -0.544 175.882 176.300 0.210 0.000 1.077 286 R CA -0.628 55.525 56.100 0.088 0.000 1.102 286 R CB -0.427 29.876 30.300 0.005 0.000 1.278 286 R HN 0.161 nan 8.270 nan 0.000 0.560 287 Q N 1.015 120.903 119.800 0.147 0.000 2.262 287 Q HA -0.068 4.272 4.340 -0.000 0.000 0.298 287 Q C 0.950 177.037 176.000 0.146 0.000 1.083 287 Q CA 0.027 55.907 55.803 0.129 0.000 0.962 287 Q CB 0.570 29.364 28.738 0.095 0.000 1.104 287 Q HN 0.293 nan 8.270 nan 0.000 0.376 288 I N 2.652 123.281 120.570 0.099 0.000 2.315 288 I HA -0.276 3.894 4.170 -0.000 0.000 0.251 288 I C 0.926 177.070 176.117 0.046 0.000 1.125 288 I CA 1.714 63.039 61.300 0.042 0.000 1.392 288 I CB -0.102 37.832 38.000 -0.110 0.000 1.065 288 I HN 0.778 nan 8.210 nan 0.000 0.424 289 D N -1.056 119.369 120.400 0.041 0.000 2.342 289 D HA 0.195 4.835 4.640 -0.000 0.000 0.221 289 D C 0.899 177.230 176.300 0.052 0.000 1.101 289 D CA 0.158 54.179 54.000 0.034 0.000 0.837 289 D CB -0.758 40.053 40.800 0.018 0.000 0.938 289 D HN 0.282 nan 8.370 nan 0.000 0.508 290 G N -0.647 108.201 108.800 0.081 0.000 2.521 290 G HA2 0.489 4.449 3.960 -0.000 0.000 0.323 290 G HA3 0.489 4.449 3.960 -0.000 0.000 0.323 290 G C 0.827 175.780 174.900 0.089 0.000 1.211 290 G CA -0.411 44.745 45.100 0.094 0.000 0.979 290 G HN 0.106 nan 8.290 nan 0.000 0.490 291 A N -0.852 121.996 122.820 0.047 0.000 2.014 291 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 291 A C 1.919 179.485 177.584 -0.030 0.000 1.163 291 A CA 1.766 53.792 52.037 -0.018 0.000 0.652 291 A CB -0.649 18.286 19.000 -0.108 0.000 0.808 291 A HN 0.749 nan 8.150 nan 0.000 0.449 292 H N -0.209 118.902 119.070 0.069 0.000 2.299 292 H HA -0.045 4.511 4.556 -0.000 0.000 0.302 292 H C 1.944 177.355 175.328 0.138 0.000 1.078 292 H CA 1.767 57.861 56.048 0.077 0.000 1.323 292 H CB -0.094 29.683 29.762 0.025 0.000 1.381 292 H HN 0.325 nan 8.280 nan 0.000 0.498 293 I N 0.693 121.409 120.570 0.242 0.000 2.226 293 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 293 I C 2.546 178.749 176.117 0.143 0.000 1.100 293 I CA 1.332 62.744 61.300 0.186 0.000 1.374 293 I CB -1.343 36.778 38.000 0.201 0.000 1.057 293 I HN 0.300 nan 8.210 nan 0.000 0.413 294 A N 0.248 123.144 122.820 0.126 0.000 1.972 294 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 294 A C 2.285 179.922 177.584 0.088 0.000 1.169 294 A CA 1.258 53.345 52.037 0.083 0.000 0.635 294 A CB -0.942 18.099 19.000 0.068 0.000 0.810 294 A HN 0.393 nan 8.150 nan 0.000 0.446 295 F N 0.869 120.812 119.950 -0.010 0.000 2.113 295 F HA 0.013 4.540 4.527 -0.000 0.000 0.297 295 F C 2.519 178.312 175.800 -0.011 0.000 1.103 295 F CA 1.196 59.184 58.000 -0.020 0.000 1.248 295 F CB -0.411 38.566 39.000 -0.038 0.000 0.999 295 F HN 0.238 nan 8.300 nan 0.000 0.475 296 A N -0.040 122.871 122.820 0.152 0.000 1.986 296 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 296 A C 2.133 179.673 177.584 -0.073 0.000 1.171 296 A CA 2.000 54.058 52.037 0.035 0.000 0.640 296 A CB -0.883 18.175 19.000 0.096 0.000 0.811 296 A HN 0.640 nan 8.150 nan 0.000 0.451 297 Q N -0.949 118.816 119.800 -0.058 0.000 2.167 297 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 297 Q C 1.914 177.834 176.000 -0.134 0.000 0.970 297 Q CA 1.498 57.254 55.803 -0.078 0.000 0.855 297 Q CB -0.117 28.592 28.738 -0.049 0.000 0.911 297 Q HN 0.535 nan 8.270 nan 0.000 0.438 298 V N 1.246 121.038 119.914 -0.204 0.000 3.052 298 V HA 0.001 4.121 4.120 -0.000 0.000 0.254 298 V C 1.250 177.166 176.094 -0.297 0.000 1.100 298 V CA 0.389 62.551 62.300 -0.230 0.000 1.112 298 V CB -0.204 31.476 31.823 -0.238 0.000 0.738 298 V HN 0.301 nan 8.190 nan 0.000 0.469 299 I N -1.555 118.789 120.570 -0.377 0.000 2.612 299 I HA 0.582 4.752 4.170 -0.000 0.000 0.295 299 I C 1.214 177.145 176.117 -0.311 0.000 1.011 299 I CA -0.108 60.972 61.300 -0.367 0.000 1.326 299 I CB 1.334 39.104 38.000 -0.383 0.000 1.427 299 I HN -0.045 nan 8.210 nan 0.000 0.537 300 A N 3.570 126.113 122.820 -0.462 0.000 2.178 300 A HA 0.145 4.465 4.320 -0.000 0.000 0.211 300 A C 0.743 178.163 177.584 -0.272 0.000 1.157 300 A CA -0.010 51.727 52.037 -0.501 0.000 0.780 300 A CB -1.019 17.389 19.000 -0.986 0.000 0.828 300 A HN 0.882 nan 8.150 nan 0.000 0.476 301 N N 1.418 120.046 118.700 -0.121 0.000 2.345 301 N HA 0.252 4.992 4.740 -0.000 0.000 0.243 301 N C -2.791 172.729 175.510 0.016 0.000 1.246 301 N CA -0.521 52.563 53.050 0.058 0.000 0.863 301 N CB -0.154 38.392 38.487 0.099 0.000 1.096 301 N HN 0.138 nan 8.380 nan 0.000 0.446 302 P HA 0.035 nan 4.420 nan 0.000 0.269 302 P C -0.701 176.614 177.300 0.025 0.000 1.209 302 P CA -0.198 62.908 63.100 0.009 0.000 0.776 302 P CB 0.586 32.281 31.700 -0.009 0.000 0.876 303 V N -0.511 119.413 119.914 0.017 0.000 3.078 303 V HA 0.989 5.109 4.120 -0.000 0.000 0.311 303 V C -0.199 175.920 176.094 0.042 0.000 1.138 303 V CA -0.885 61.443 62.300 0.045 0.000 1.007 303 V CB 1.974 33.818 31.823 0.035 0.000 1.045 303 V HN 0.658 nan 8.190 nan 0.000 0.432 304 G N 0.485 109.348 108.800 0.104 0.000 2.533 304 G HA2 0.694 4.654 3.960 -0.000 0.000 0.304 304 G HA3 0.694 4.654 3.960 -0.000 0.000 0.304 304 G C -1.532 173.407 174.900 0.064 0.000 1.263 304 G CA -0.895 44.245 45.100 0.068 0.000 0.964 304 G HN 1.085 nan 8.290 nan 0.000 0.479 305 V N 1.814 121.692 119.914 -0.059 0.000 2.540 305 V HA 0.414 4.534 4.120 -0.000 0.000 0.302 305 V C -0.530 175.478 176.094 -0.142 0.000 1.035 305 V CA -1.226 60.986 62.300 -0.148 0.000 0.873 305 V CB 1.917 33.495 31.823 -0.408 0.000 0.992 305 V HN 0.585 nan 8.190 nan 0.000 0.428 306 K N 4.939 125.270 120.400 -0.114 0.000 2.322 306 K HA 0.519 4.839 4.320 -0.000 0.000 0.283 306 K C -0.845 175.701 176.600 -0.090 0.000 1.042 306 K CA -0.080 56.132 56.287 -0.126 0.000 0.958 306 K CB 1.206 33.624 32.500 -0.137 0.000 0.984 306 K HN 0.507 nan 8.250 nan 0.000 0.473 307 L N 2.418 123.619 121.223 -0.036 0.000 2.316 307 L HA 0.375 4.715 4.340 -0.000 0.000 0.280 307 L C 0.849 177.739 176.870 0.035 0.000 1.006 307 L CA -0.799 54.056 54.840 0.025 0.000 0.836 307 L CB 1.701 43.812 42.059 0.087 0.000 1.221 307 L HN 0.650 nan 8.230 nan 0.000 0.418 308 G N 2.383 111.203 108.800 0.033 0.000 2.537 308 G HA2 0.397 4.357 3.960 -0.000 0.000 0.297 308 G HA3 0.397 4.357 3.960 -0.000 0.000 0.297 308 G C -1.978 172.941 174.900 0.032 0.000 1.310 308 G CA -1.155 43.963 45.100 0.031 0.000 1.027 308 G HN 0.401 nan 8.290 nan 0.000 0.505 309 P HA -0.061 nan 4.420 nan 0.000 0.223 309 P C 1.145 178.451 177.300 0.011 0.000 1.144 309 P CA 0.768 63.869 63.100 0.002 0.000 0.783 309 P CB 0.247 31.939 31.700 -0.014 0.000 0.771 310 N N -1.570 117.145 118.700 0.025 0.000 2.412 310 N HA 0.049 4.789 4.740 -0.000 0.000 0.184 310 N C 0.653 176.187 175.510 0.040 0.000 1.101 310 N CA 0.084 53.151 53.050 0.028 0.000 0.881 310 N CB -0.556 37.950 38.487 0.032 0.000 0.969 310 N HN 0.157 nan 8.380 nan 0.000 0.459 311 M N 1.475 121.108 119.600 0.054 0.000 2.251 311 M HA -0.011 4.469 4.480 -0.000 0.000 0.343 311 M C 0.288 176.620 176.300 0.054 0.000 1.245 311 M CA 0.008 55.354 55.300 0.077 0.000 1.061 311 M CB 0.278 32.939 32.600 0.102 0.000 1.723 311 M HN 0.167 nan 8.290 nan 0.000 0.449 312 T N 3.056 117.641 114.554 0.051 0.000 2.925 312 T HA 0.599 4.949 4.350 -0.000 0.000 0.285 312 T C -2.234 172.492 174.700 0.042 0.000 1.021 312 T CA -1.777 60.342 62.100 0.031 0.000 1.042 312 T CB 1.240 70.115 68.868 0.012 0.000 1.037 312 T HN 0.508 nan 8.240 nan 0.000 0.481 313 P HA -0.061 nan 4.420 nan 0.000 0.218 313 P C 1.135 178.456 177.300 0.035 0.000 1.148 313 P CA 0.954 64.081 63.100 0.046 0.000 0.822 313 P CB 0.112 31.829 31.700 0.028 0.000 0.784 314 E N -0.643 119.562 120.200 0.009 0.000 2.058 314 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 314 E C 1.849 178.422 176.600 -0.044 0.000 0.997 314 E CA 0.915 57.307 56.400 -0.014 0.000 0.801 314 E CB -1.290 28.397 29.700 -0.021 0.000 0.746 314 E HN 0.105 nan 8.360 nan 0.000 0.450 315 L N 0.570 121.761 121.223 -0.054 0.000 2.046 315 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 315 L C 2.069 178.852 176.870 -0.144 0.000 1.077 315 L CA 2.013 56.764 54.840 -0.150 0.000 0.747 315 L CB -1.029 40.963 42.059 -0.111 0.000 0.896 315 L HN 0.130 nan 8.230 nan 0.000 0.432 316 A N -1.079 121.781 122.820 0.067 0.000 1.892 316 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 316 A C 2.324 179.964 177.584 0.094 0.000 1.188 316 A CA 2.295 54.450 52.037 0.198 0.000 0.631 316 A CB -1.244 17.881 19.000 0.209 0.000 0.822 316 A HN 0.299 nan 8.150 nan 0.000 0.447 317 V N -0.038 119.892 119.914 0.028 0.000 2.392 317 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 317 V C 2.465 178.515 176.094 -0.073 0.000 1.059 317 V CA 2.341 64.631 62.300 -0.016 0.000 1.051 317 V CB -0.750 31.067 31.823 -0.010 0.000 0.658 317 V HN 0.638 nan 8.190 nan 0.000 0.455 318 E N -1.037 119.089 120.200 -0.123 0.000 2.077 318 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 318 E C 2.202 178.710 176.600 -0.153 0.000 0.989 318 E CA 1.576 57.871 56.400 -0.174 0.000 0.800 318 E CB -0.196 29.350 29.700 -0.258 0.000 0.746 318 E HN 0.693 nan 8.360 nan 0.000 0.452 319 Y N 0.275 120.545 120.300 -0.049 0.000 2.128 319 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 319 Y C 2.378 178.217 175.900 -0.102 0.000 1.154 319 Y CA 0.783 58.850 58.100 -0.055 0.000 1.149 319 Y CB -0.892 37.546 38.460 -0.036 0.000 0.976 319 Y HN -0.091 nan 8.280 nan 0.000 0.505 320 V N -0.009 119.908 119.914 0.006 0.000 2.343 320 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 320 V C 2.052 177.983 176.094 -0.272 0.000 1.051 320 V CA 2.199 64.396 62.300 -0.171 0.000 1.036 320 V CB -0.542 31.133 31.823 -0.247 0.000 0.654 320 V HN 0.416 nan 8.190 nan 0.000 0.451 321 E N -0.597 119.475 120.200 -0.214 0.000 2.107 321 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 321 E C 2.525 179.064 176.600 -0.102 0.000 0.982 321 E CA 0.610 56.906 56.400 -0.175 0.000 0.809 321 E CB -0.076 29.555 29.700 -0.115 0.000 0.756 321 E HN 0.449 nan 8.360 nan 0.000 0.459 322 R N 0.252 120.712 120.500 -0.067 0.000 2.073 322 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 322 R C 2.159 178.434 176.300 -0.042 0.000 1.120 322 R CA 0.858 56.935 56.100 -0.039 0.000 0.967 322 R CB -0.160 30.142 30.300 0.005 0.000 0.862 322 R HN 0.242 nan 8.270 nan 0.000 0.436 323 L N -0.147 121.061 121.223 -0.025 0.000 2.554 323 L HA 0.089 4.429 4.340 -0.000 0.000 0.225 323 L C 0.397 177.238 176.870 -0.049 0.000 1.104 323 L CA 0.290 55.113 54.840 -0.027 0.000 0.866 323 L CB 0.184 42.248 42.059 0.008 0.000 1.047 323 L HN -0.016 nan 8.230 nan 0.000 0.468 324 D N -0.205 120.161 120.400 -0.056 0.000 2.945 324 D HA 0.114 4.753 4.640 -0.000 0.000 0.366 324 D C -1.504 174.823 176.300 0.046 0.000 1.352 324 D CA -1.543 52.463 54.000 0.010 0.000 0.810 324 D CB 0.561 41.414 40.800 0.087 0.000 1.170 324 D HN -0.058 nan 8.370 nan 0.000 0.461 325 P HA -0.121 nan 4.420 nan 0.000 0.225 325 P C 0.377 177.586 177.300 -0.151 0.000 1.148 325 P CA 1.019 64.026 63.100 -0.155 0.000 0.779 325 P CB -0.043 31.455 31.700 -0.337 0.000 0.780 326 H N -1.666 117.439 119.070 0.058 0.000 2.549 326 H HA 0.173 4.729 4.556 -0.000 0.000 0.279 326 H C 0.310 175.625 175.328 -0.022 0.000 1.018 326 H CA -0.451 55.604 56.048 0.011 0.000 1.175 326 H CB -0.238 29.519 29.762 -0.010 0.000 1.485 326 H HN -0.067 nan 8.280 nan 0.000 0.543 327 N N 2.209 120.948 118.700 0.065 0.000 2.696 327 N HA -0.178 4.562 4.740 -0.000 0.000 0.256 327 N C -1.238 174.264 175.510 -0.013 0.000 1.031 327 N CA 0.312 53.300 53.050 -0.103 0.000 0.730 327 N CB -0.611 37.697 38.487 -0.298 0.000 0.894 327 N HN 0.297 nan 8.380 nan 0.000 0.544 328 K N 1.225 121.651 120.400 0.044 0.000 2.268 328 K HA 0.369 4.689 4.320 -0.000 0.000 0.276 328 K C -2.374 174.232 176.600 0.010 0.000 1.080 328 K CA -1.571 54.731 56.287 0.026 0.000 0.910 328 K CB 0.978 33.503 32.500 0.042 0.000 1.163 328 K HN 0.185 nan 8.250 nan 0.000 0.465 329 P HA -0.045 nan 4.420 nan 0.000 0.261 329 P C 0.861 178.147 177.300 -0.023 0.000 1.183 329 P CA 0.854 63.944 63.100 -0.016 0.000 0.761 329 P CB 0.495 32.182 31.700 -0.021 0.000 0.785 330 G N 3.550 112.327 108.800 -0.039 0.000 2.199 330 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 330 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 330 G C 1.268 176.140 174.900 -0.045 0.000 0.982 330 G CA 0.513 45.582 45.100 -0.052 0.000 0.632 330 G HN 0.615 nan 8.290 nan 0.000 0.529 331 R N -0.078 120.406 120.500 -0.027 0.000 2.152 331 R HA 0.266 4.606 4.340 -0.000 0.000 0.232 331 R C 1.070 177.350 176.300 -0.034 0.000 1.117 331 R CA 1.693 57.780 56.100 -0.021 0.000 0.981 331 R CB -0.192 30.107 30.300 -0.001 0.000 0.870 331 R HN 0.809 nan 8.270 nan 0.000 0.451 332 L N 0.462 121.653 121.223 -0.053 0.000 2.341 332 L HA 0.495 4.835 4.340 -0.000 0.000 0.278 332 L C -1.331 175.462 176.870 -0.128 0.000 1.005 332 L CA -0.236 54.557 54.840 -0.078 0.000 0.818 332 L CB 2.332 44.342 42.059 -0.082 0.000 1.259 332 L HN 0.044 nan 8.230 nan 0.000 0.418 333 T N 6.140 120.625 114.554 -0.115 0.000 2.779 333 T HA 0.562 4.912 4.350 -0.000 0.000 0.280 333 T C -0.394 174.215 174.700 -0.151 0.000 0.987 333 T CA -0.311 61.702 62.100 -0.145 0.000 0.966 333 T CB 0.823 69.637 68.868 -0.091 0.000 0.933 333 T HN 0.433 nan 8.240 nan 0.000 0.442 334 L N 3.546 124.642 121.223 -0.213 0.000 2.272 334 L HA 0.548 4.888 4.340 -0.000 0.000 0.289 334 L C -0.453 176.426 176.870 0.016 0.000 1.032 334 L CA -1.021 53.745 54.840 -0.125 0.000 0.810 334 L CB 1.413 43.356 42.059 -0.193 0.000 1.205 334 L HN 0.346 nan 8.230 nan 0.000 0.422 335 V N 2.343 122.254 119.914 -0.006 0.000 2.294 335 V HA 0.155 4.275 4.120 -0.000 0.000 0.272 335 V C 0.503 176.609 176.094 0.021 0.000 1.027 335 V CA -0.499 61.789 62.300 -0.019 0.000 0.823 335 V CB 1.180 32.910 31.823 -0.156 0.000 1.030 335 V HN 0.866 nan 8.190 nan 0.000 0.457 336 S N 5.847 121.622 115.700 0.125 0.000 2.523 336 S HA 0.649 5.119 4.470 -0.000 0.000 0.275 336 S C -0.091 174.534 174.600 0.041 0.000 1.281 336 S CA -0.736 57.541 58.200 0.129 0.000 1.050 336 S CB 0.608 63.962 63.200 0.256 0.000 0.937 336 S HN 0.825 nan 8.310 nan 0.000 0.492 337 R N 2.911 123.429 120.500 0.030 0.000 2.625 337 R HA 0.551 4.891 4.340 -0.000 0.000 0.286 337 R C -0.558 175.763 176.300 0.035 0.000 1.406 337 R CA -0.314 55.800 56.100 0.024 0.000 1.052 337 R CB 0.095 30.410 30.300 0.025 0.000 1.203 337 R HN 0.676 nan 8.270 nan 0.000 0.502 338 M N 0.789 120.408 119.600 0.032 0.000 2.249 338 M HA 0.391 4.871 4.480 -0.000 0.000 0.318 338 M C 0.016 176.301 176.300 -0.026 0.000 0.930 338 M CA 0.681 55.983 55.300 0.003 0.000 1.080 338 M CB 1.609 34.204 32.600 -0.008 0.000 1.797 338 M HN 0.947 nan 8.290 nan 0.000 0.619 339 G N 1.898 110.723 108.800 0.042 0.000 2.785 339 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.686 339 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.686 339 G C 0.083 175.061 174.900 0.130 0.000 1.155 339 G CA -0.172 45.014 45.100 0.145 0.000 0.760 339 G HN 0.475 nan 8.290 nan 0.000 0.624 340 N N 1.026 119.882 118.700 0.260 0.000 2.244 340 N HA -0.185 4.555 4.740 -0.000 0.000 0.183 340 N C 1.688 177.311 175.510 0.188 0.000 1.016 340 N CA 2.276 55.428 53.050 0.170 0.000 0.866 340 N CB -0.508 38.043 38.487 0.107 0.000 0.980 340 N HN 0.979 nan 8.380 nan 0.000 0.430 341 H N -0.196 118.875 119.070 0.002 0.000 2.524 341 H HA 0.188 4.744 4.556 -0.000 0.000 0.282 341 H C 0.937 176.268 175.328 0.004 0.000 1.016 341 H CA 0.726 56.774 56.048 0.000 0.000 1.270 341 H CB -0.204 29.556 29.762 -0.003 0.000 1.394 341 H HN 0.303 nan 8.280 nan 0.000 0.568 342 K N -0.044 120.185 120.400 -0.285 0.000 2.399 342 K HA 0.145 4.465 4.320 -0.000 0.000 0.196 342 K C 1.978 178.512 176.600 -0.110 0.000 1.103 342 K CA 0.396 56.535 56.287 -0.247 0.000 0.986 342 K CB 0.799 33.069 32.500 -0.384 0.000 0.952 342 K HN 0.021 nan 8.250 nan 0.000 0.541 343 V N 1.624 121.503 119.914 -0.058 0.000 2.490 343 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 343 V C 1.922 177.997 176.094 -0.032 0.000 1.061 343 V CA 1.774 64.065 62.300 -0.014 0.000 1.064 343 V CB -0.196 31.659 31.823 0.054 0.000 0.670 343 V HN 0.220 nan 8.190 nan 0.000 0.461 344 R N -0.177 120.307 120.500 -0.027 0.000 2.120 344 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 344 R C 1.964 178.226 176.300 -0.065 0.000 1.123 344 R CA 1.935 58.009 56.100 -0.044 0.000 0.975 344 R CB -0.217 30.071 30.300 -0.021 0.000 0.866 344 R HN 0.650 nan 8.270 nan 0.000 0.446 345 D N -0.023 120.343 120.400 -0.058 0.000 2.197 345 D HA -0.063 4.577 4.640 -0.000 0.000 0.212 345 D C 1.947 178.207 176.300 -0.066 0.000 0.963 345 D CA 0.812 54.777 54.000 -0.058 0.000 0.864 345 D CB 0.053 40.825 40.800 -0.048 0.000 1.009 345 D HN 0.193 nan 8.370 nan 0.000 0.479 346 L N 0.445 121.629 121.223 -0.065 0.000 2.179 346 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 346 L C 2.390 179.221 176.870 -0.065 0.000 1.096 346 L CA 0.307 55.114 54.840 -0.056 0.000 0.779 346 L CB -0.081 41.950 42.059 -0.047 0.000 0.922 346 L HN 0.011 nan 8.230 nan 0.000 0.443 347 L N 0.456 121.624 121.223 -0.092 0.000 2.131 347 L HA 0.024 4.364 4.340 -0.000 0.000 0.206 347 L C -0.574 176.155 176.870 -0.235 0.000 1.087 347 L CA 1.503 56.257 54.840 -0.144 0.000 0.767 347 L CB -1.227 40.736 42.059 -0.159 0.000 0.917 347 L HN 0.009 nan 8.230 nan 0.000 0.441 348 P HA -0.119 nan 4.420 nan 0.000 0.215 348 P C -1.388 175.799 177.300 -0.189 0.000 1.157 348 P CA 1.990 64.941 63.100 -0.248 0.000 0.874 348 P CB -1.205 30.385 31.700 -0.183 0.000 0.790 349 P HA -0.104 nan 4.420 nan 0.000 0.217 349 P C 1.572 178.838 177.300 -0.058 0.000 1.150 349 P CA 1.184 64.239 63.100 -0.075 0.000 0.832 349 P CB -0.479 31.193 31.700 -0.047 0.000 0.787 350 I N -1.027 119.506 120.570 -0.061 0.000 2.142 350 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 350 I C 2.247 178.369 176.117 0.007 0.000 1.078 350 I CA 1.355 62.663 61.300 0.013 0.000 1.343 350 I CB -0.808 37.228 38.000 0.061 0.000 1.046 350 I HN -0.198 nan 8.210 nan 0.000 0.405 351 V N 0.573 120.324 119.914 -0.271 0.000 2.332 351 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 351 V C 2.374 178.410 176.094 -0.096 0.000 1.055 351 V CA 1.945 63.958 62.300 -0.477 0.000 1.038 351 V CB -0.719 30.549 31.823 -0.926 0.000 0.651 351 V HN 0.440 nan 8.190 nan 0.000 0.450 352 E N -0.083 120.057 120.200 -0.100 0.000 2.031 352 E HA -0.290 4.060 4.350 -0.000 0.000 0.193 352 E C 2.299 178.922 176.600 0.038 0.000 0.994 352 E CA 1.515 57.898 56.400 -0.030 0.000 0.800 352 E CB -0.187 29.485 29.700 -0.047 0.000 0.752 352 E HN 0.340 nan 8.360 nan 0.000 0.447 353 K N 0.651 121.076 120.400 0.042 0.000 2.063 353 K HA -0.138 4.181 4.320 -0.000 0.000 0.208 353 K C 1.906 178.572 176.600 0.109 0.000 1.048 353 K CA 0.894 57.219 56.287 0.063 0.000 0.928 353 K CB -0.378 32.153 32.500 0.052 0.000 0.713 353 K HN -0.039 nan 8.250 nan 0.000 0.442 354 V N 0.829 120.856 119.914 0.188 0.000 2.453 354 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 354 V C 2.248 178.487 176.094 0.242 0.000 1.048 354 V CA 1.447 63.892 62.300 0.241 0.000 1.049 354 V CB -0.394 31.669 31.823 0.400 0.000 0.672 354 V HN 0.370 nan 8.190 nan 0.000 0.457 355 Q N 0.109 120.069 119.800 0.266 0.000 2.170 355 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 355 Q C 2.319 178.403 176.000 0.140 0.000 0.976 355 Q CA 1.763 57.695 55.803 0.216 0.000 0.858 355 Q CB -0.573 28.273 28.738 0.179 0.000 0.907 355 Q HN 0.649 nan 8.270 nan 0.000 0.433 356 A N 0.913 123.800 122.820 0.110 0.000 2.209 356 A HA -0.080 4.240 4.320 -0.000 0.000 0.212 356 A C 2.118 179.756 177.584 0.090 0.000 1.158 356 A CA 1.525 53.610 52.037 0.080 0.000 0.742 356 A CB -0.539 18.496 19.000 0.057 0.000 0.790 356 A HN 0.492 nan 8.150 nan 0.000 0.472 357 T N -4.507 110.120 114.554 0.122 0.000 3.085 357 T HA 0.320 4.670 4.350 -0.000 0.000 0.263 357 T C 1.623 176.446 174.700 0.206 0.000 1.127 357 T CA 1.208 63.406 62.100 0.163 0.000 1.103 357 T CB -0.165 68.805 68.868 0.171 0.000 0.921 357 T HN 1.559 nan 8.240 nan 0.000 0.510 358 G N 0.949 109.835 108.800 0.143 0.000 2.225 358 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.254 358 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.254 358 G C 0.123 175.043 174.900 0.034 0.000 0.988 358 G CA 0.233 45.374 45.100 0.068 0.000 0.625 358 G HN 0.740 nan 8.290 nan 0.000 0.527 359 H N 0.790 119.873 119.070 0.021 0.000 2.690 359 H HA 0.345 4.901 4.556 -0.000 0.000 0.365 359 H C 0.285 175.611 175.328 -0.003 0.000 1.142 359 H CA 0.415 56.464 56.048 0.002 0.000 1.417 359 H CB 0.521 30.275 29.762 -0.013 0.000 1.446 359 H HN 0.366 nan 8.280 nan 0.000 0.599 360 Q N 2.355 122.201 119.800 0.076 0.000 2.506 360 Q HA 0.260 4.600 4.340 -0.000 0.000 0.242 360 Q C -0.115 175.854 176.000 -0.051 0.000 1.060 360 Q CA -0.593 55.221 55.803 0.019 0.000 0.826 360 Q CB 1.441 30.182 28.738 0.004 0.000 1.169 360 Q HN 0.399 nan 8.270 nan 0.000 0.521 361 V N -0.167 119.648 119.914 -0.165 0.000 3.170 361 V HA 0.541 4.661 4.120 -0.000 0.000 0.309 361 V C 0.108 175.965 176.094 -0.394 0.000 1.071 361 V CA -0.842 61.262 62.300 -0.327 0.000 1.063 361 V CB 1.018 32.498 31.823 -0.571 0.000 1.123 361 V HN 0.530 nan 8.190 nan 0.000 0.464 362 I N 1.594 121.955 120.570 -0.348 0.000 2.342 362 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 362 I C -0.748 175.158 176.117 -0.352 0.000 1.010 362 I CA -0.012 61.133 61.300 -0.258 0.000 1.308 362 I CB 1.080 38.997 38.000 -0.138 0.000 1.400 362 I HN 0.696 nan 8.210 nan 0.000 0.488 363 W N 6.369 127.673 121.300 0.006 0.000 2.331 363 W HA 0.481 5.141 4.660 -0.000 0.000 0.306 363 W C 0.131 176.735 176.519 0.142 0.000 1.162 363 W CA -0.340 57.057 57.345 0.087 0.000 1.232 363 W CB 0.616 30.099 29.460 0.039 0.000 1.235 363 W HN 0.400 nan 8.180 nan 0.000 0.479 364 Q N 3.281 123.263 119.800 0.303 0.000 2.372 364 Q HA 0.525 4.865 4.340 -0.000 0.000 0.273 364 Q C -1.257 174.633 176.000 -0.182 0.000 1.078 364 Q CA -0.813 54.982 55.803 -0.014 0.000 0.806 364 Q CB 2.414 31.092 28.738 -0.101 0.000 1.332 364 Q HN 0.661 nan 8.270 nan 0.000 0.435 365 C N 3.252 122.166 119.300 -0.644 0.000 2.281 365 C HA 0.467 4.927 4.460 -0.000 0.000 0.325 365 C C -0.684 174.108 174.990 -0.330 0.000 1.282 365 C CA -0.378 58.185 59.018 -0.757 0.000 1.640 365 C CB 0.490 27.332 27.740 -1.496 0.000 2.288 365 C HN 0.846 nan 8.230 nan 0.000 0.507 366 D N 7.311 127.595 120.400 -0.192 0.000 2.473 366 D HA 0.357 4.996 4.640 -0.000 0.000 0.226 366 D C -1.642 174.606 176.300 -0.086 0.000 1.089 366 D CA -2.067 51.864 54.000 -0.115 0.000 0.883 366 D CB 1.411 42.136 40.800 -0.124 0.000 1.029 366 D HN 0.478 nan 8.370 nan 0.000 0.517 367 P HA 0.051 nan 4.420 nan 0.000 0.257 367 P C 0.927 178.177 177.300 -0.083 0.000 1.281 367 P CA 0.116 63.172 63.100 -0.074 0.000 0.826 367 P CB 0.316 31.968 31.700 -0.079 0.000 1.237 368 M N -0.931 118.575 119.600 -0.156 0.000 2.553 368 M HA 0.089 4.569 4.480 -0.000 0.000 0.255 368 M C 1.461 177.623 176.300 -0.230 0.000 1.181 368 M CA 1.429 56.578 55.300 -0.251 0.000 1.210 368 M CB -1.838 30.454 32.600 -0.512 0.000 1.280 368 M HN 0.069 nan 8.290 nan 0.000 0.495 369 H N 0.395 119.450 119.070 -0.025 0.000 2.574 369 H HA 0.235 4.791 4.556 -0.000 0.000 0.277 369 H C 1.650 176.988 175.328 0.016 0.000 1.058 369 H CA 0.723 56.766 56.048 -0.009 0.000 1.171 369 H CB -0.600 29.133 29.762 -0.049 0.000 1.304 369 H HN 0.543 nan 8.280 nan 0.000 0.620 370 G N -0.673 108.175 108.800 0.080 0.000 3.104 370 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.237 370 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.237 370 G C 0.615 175.587 174.900 0.120 0.000 1.035 370 G CA -0.295 44.866 45.100 0.101 0.000 0.844 370 G HN 0.191 nan 8.290 nan 0.000 0.531 371 N N 1.475 120.223 118.700 0.080 0.000 2.541 371 N HA 0.148 4.888 4.740 -0.000 0.000 0.297 371 N C -0.661 174.905 175.510 0.092 0.000 1.503 371 N CA 0.051 53.145 53.050 0.073 0.000 0.919 371 N CB 1.286 39.800 38.487 0.045 0.000 1.305 371 N HN 0.001 nan 8.380 nan 0.000 0.501 372 T N 0.891 115.516 114.554 0.118 0.000 2.799 372 T HA 0.298 4.648 4.350 -0.000 0.000 0.286 372 T C 0.124 174.956 174.700 0.221 0.000 0.973 372 T CA -0.397 61.801 62.100 0.164 0.000 1.035 372 T CB 1.555 70.502 68.868 0.131 0.000 0.932 372 T HN 0.329 nan 8.240 nan 0.000 0.469 379 F N 2.860 122.661 119.950 -0.248 0.000 2.382 379 F HA 0.499 5.026 4.527 -0.000 0.000 0.331 379 F C 0.792 176.446 175.800 -0.244 0.000 1.121 379 F CA -0.653 57.109 58.000 -0.396 0.000 1.183 379 F CB 0.935 39.504 39.000 -0.719 0.000 1.207 379 F HN -0.034 nan 8.300 nan 0.000 0.555 380 K N 0.647 121.055 120.400 0.014 0.000 2.349 380 K HA 0.439 4.759 4.320 -0.000 0.000 0.289 380 K C -0.325 176.393 176.600 0.197 0.000 1.064 380 K CA -0.361 55.977 56.287 0.085 0.000 0.947 380 K CB 0.872 33.447 32.500 0.126 0.000 1.007 380 K HN 0.577 nan 8.250 nan 0.000 0.478 381 T N 2.238 116.866 114.554 0.124 0.000 2.887 381 T HA 0.514 4.864 4.350 -0.000 0.000 0.292 381 T C -1.139 173.713 174.700 0.253 0.000 1.087 381 T CA -1.018 61.196 62.100 0.190 0.000 1.009 381 T CB 1.102 70.060 68.868 0.150 0.000 1.203 381 T HN 0.640 nan 8.240 nan 0.000 0.518 382 R N 1.146 121.777 120.500 0.219 0.000 2.686 382 R HA 0.403 4.743 4.340 -0.000 0.000 0.283 382 R C -1.091 175.313 176.300 0.173 0.000 0.978 382 R CA -0.943 55.279 56.100 0.202 0.000 0.897 382 R CB 1.192 31.567 30.300 0.124 0.000 1.192 382 R HN 0.537 nan 8.270 nan 0.000 0.457 383 H N 3.139 122.263 119.070 0.089 0.000 2.620 383 H HA 0.047 4.603 4.556 -0.000 0.000 0.313 383 H C 0.449 175.846 175.328 0.116 0.000 1.075 383 H CA -0.283 55.823 56.048 0.097 0.000 1.397 383 H CB 0.676 30.450 29.762 0.021 0.000 1.446 383 H HN 0.603 nan 8.280 nan 0.000 0.493 384 F N 4.109 124.200 119.950 0.234 0.000 2.115 384 F HA -0.294 4.233 4.527 -0.000 0.000 0.300 384 F C 1.579 177.513 175.800 0.224 0.000 1.092 384 F CA 1.946 60.063 58.000 0.196 0.000 1.245 384 F CB 0.224 39.308 39.000 0.140 0.000 0.995 384 F HN 0.566 nan 8.300 nan 0.000 0.481 385 D N -0.186 120.463 120.400 0.415 0.000 2.117 385 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 385 D C 2.416 178.688 176.300 -0.047 0.000 0.987 385 D CA 1.245 55.290 54.000 0.074 0.000 0.829 385 D CB -0.360 40.402 40.800 -0.062 0.000 0.961 385 D HN 0.349 nan 8.370 nan 0.000 0.460 386 R N 0.066 120.552 120.500 -0.023 0.000 2.115 386 R HA 0.035 4.375 4.340 -0.000 0.000 0.230 386 R C 2.485 178.762 176.300 -0.037 0.000 1.111 386 R CA 0.426 56.506 56.100 -0.034 0.000 0.976 386 R CB -0.123 30.158 30.300 -0.031 0.000 0.870 386 R HN 0.247 nan 8.270 nan 0.000 0.445 387 I N 0.121 120.649 120.570 -0.071 0.000 2.142 387 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 387 I C 2.229 178.244 176.117 -0.170 0.000 1.078 387 I CA 1.245 62.471 61.300 -0.125 0.000 1.343 387 I CB -0.249 37.645 38.000 -0.177 0.000 1.046 387 I HN -0.027 nan 8.210 nan 0.000 0.405 388 V N 0.793 120.535 119.914 -0.286 0.000 2.343 388 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 388 V C 2.154 178.202 176.094 -0.076 0.000 1.051 388 V CA 2.360 64.524 62.300 -0.226 0.000 1.036 388 V CB -0.650 31.011 31.823 -0.272 0.000 0.654 388 V HN 0.472 nan 8.190 nan 0.000 0.451 389 D N -0.371 119.997 120.400 -0.052 0.000 2.219 389 D HA -0.204 4.436 4.640 -0.000 0.000 0.205 389 D C 2.166 178.492 176.300 0.044 0.000 0.970 389 D CA 1.335 55.337 54.000 0.003 0.000 0.851 389 D CB 0.014 40.814 40.800 0.000 0.000 0.943 389 D HN 0.593 nan 8.370 nan 0.000 0.488 390 E N -0.684 119.537 120.200 0.035 0.000 2.072 390 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 390 E C 2.006 178.681 176.600 0.125 0.000 0.982 390 E CA 0.868 57.311 56.400 0.072 0.000 0.803 390 E CB 0.168 29.896 29.700 0.046 0.000 0.755 390 E HN 0.127 nan 8.360 nan 0.000 0.453 391 V N 1.237 121.209 119.914 0.096 0.000 2.407 391 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 391 V C 2.528 178.852 176.094 0.383 0.000 1.055 391 V CA 2.026 64.450 62.300 0.206 0.000 1.049 391 V CB -0.751 31.156 31.823 0.140 0.000 0.662 391 V HN 0.313 nan 8.190 nan 0.000 0.455 392 Q N 1.382 121.306 119.800 0.207 0.000 2.061 392 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 392 Q C 2.205 178.347 176.000 0.237 0.000 0.984 392 Q CA 2.436 58.346 55.803 0.178 0.000 0.846 392 Q CB -1.089 27.694 28.738 0.075 0.000 0.902 392 Q HN 0.520 nan 8.270 nan 0.000 0.421 393 G N -0.445 108.468 108.800 0.189 0.000 2.418 393 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 393 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 393 G C 1.359 176.371 174.900 0.187 0.000 1.158 393 G CA 0.652 45.840 45.100 0.146 0.000 0.771 393 G HN 0.480 nan 8.290 nan 0.000 0.545 394 F N 0.722 120.730 119.950 0.097 0.000 2.095 394 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 394 F C 2.276 178.138 175.800 0.104 0.000 1.104 394 F CA 1.480 59.520 58.000 0.067 0.000 1.232 394 F CB -0.203 38.860 39.000 0.105 0.000 0.987 394 F HN 0.111 nan 8.300 nan 0.000 0.475 395 F N 1.207 121.345 119.950 0.313 0.000 2.161 395 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 395 F C 2.399 178.213 175.800 0.023 0.000 1.089 395 F CA 1.967 60.064 58.000 0.161 0.000 1.282 395 F CB -0.748 38.356 39.000 0.173 0.000 1.010 395 F HN 0.064 nan 8.300 nan 0.000 0.485 396 E N -0.329 119.978 120.200 0.178 0.000 2.110 396 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 396 E C 2.351 178.911 176.600 -0.066 0.000 0.988 396 E CA 1.326 57.761 56.400 0.058 0.000 0.804 396 E CB -0.285 29.445 29.700 0.049 0.000 0.745 396 E HN 0.161 nan 8.360 nan 0.000 0.458 397 V N 1.397 121.200 119.914 -0.184 0.000 2.233 397 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 397 V C 2.180 178.008 176.094 -0.443 0.000 1.050 397 V CA 2.005 64.086 62.300 -0.365 0.000 1.010 397 V CB -0.678 30.819 31.823 -0.543 0.000 0.637 397 V HN 0.374 nan 8.190 nan 0.000 0.444 398 H N 0.524 119.367 119.070 -0.379 0.000 2.319 398 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 398 H C 2.561 177.786 175.328 -0.172 0.000 1.092 398 H CA 2.372 58.207 56.048 -0.355 0.000 1.302 398 H CB -0.469 28.992 29.762 -0.501 0.000 1.373 398 H HN 0.471 nan 8.280 nan 0.000 0.497 399 R N 1.428 121.935 120.500 0.011 0.000 2.103 399 R HA -0.017 4.322 4.340 -0.000 0.000 0.242 399 R C 2.532 178.827 176.300 -0.008 0.000 1.142 399 R CA 1.714 57.835 56.100 0.035 0.000 0.960 399 R CB -1.501 28.845 30.300 0.076 0.000 0.858 399 R HN 0.474 nan 8.270 nan 0.000 0.439 400 A N 0.286 123.078 122.820 -0.048 0.000 1.972 400 A HA 0.134 4.454 4.320 -0.000 0.000 0.219 400 A C 2.299 179.843 177.584 -0.067 0.000 1.169 400 A CA 1.409 53.411 52.037 -0.057 0.000 0.635 400 A CB -0.094 18.860 19.000 -0.077 0.000 0.810 400 A HN 0.460 nan 8.150 nan 0.000 0.446 401 L N -1.590 119.574 121.223 -0.098 0.000 2.585 401 L HA 0.234 4.574 4.340 -0.000 0.000 0.226 401 L C 1.611 178.457 176.870 -0.039 0.000 1.113 401 L CA 0.464 55.249 54.840 -0.092 0.000 0.876 401 L CB 0.025 41.983 42.059 -0.168 0.000 1.072 401 L HN 0.544 nan 8.230 nan 0.000 0.468 402 G N 1.005 109.798 108.800 -0.011 0.000 2.168 402 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 402 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 402 G C 0.396 175.325 174.900 0.049 0.000 0.997 402 G CA 0.603 45.716 45.100 0.022 0.000 0.708 402 G HN 0.411 nan 8.290 nan 0.000 0.520 403 T N -3.215 111.375 114.554 0.059 0.000 2.923 403 T HA 0.591 4.941 4.350 -0.000 0.000 0.281 403 T C -0.065 174.705 174.700 0.116 0.000 0.995 403 T CA -0.378 61.793 62.100 0.119 0.000 0.985 403 T CB 2.041 70.982 68.868 0.122 0.000 1.114 403 T HN 0.488 nan 8.240 nan 0.000 0.548 404 H N 2.083 121.141 119.070 -0.020 0.000 2.652 404 H HA 0.413 4.969 4.556 -0.000 0.000 0.298 404 H C -2.471 172.573 175.328 -0.473 0.000 1.076 404 H CA -2.247 53.732 56.048 -0.114 0.000 1.360 404 H CB 0.762 30.529 29.762 0.009 0.000 1.421 404 H HN 0.312 nan 8.280 nan 0.000 0.464 405 P HA 0.141 nan 4.420 nan 0.000 0.277 405 P C 0.729 177.654 177.300 -0.626 0.000 1.354 405 P CA -0.013 62.507 63.100 -0.966 0.000 0.891 405 P CB 0.762 31.839 31.700 -1.039 0.000 1.058 406 G N 2.242 110.810 108.800 -0.386 0.000 2.777 406 G HA2 0.411 4.371 3.960 -0.000 0.000 0.211 406 G HA3 0.411 4.371 3.960 -0.000 0.000 0.211 406 G C 0.561 175.098 174.900 -0.606 0.000 1.149 406 G CA 0.329 45.209 45.100 -0.366 0.000 0.785 406 G HN 0.751 nan 8.290 nan 0.000 0.536 407 G N -0.606 107.770 108.800 -0.706 0.000 2.315 407 G HA2 0.441 4.401 3.960 -0.000 0.000 0.294 407 G HA3 0.441 4.401 3.960 -0.000 0.000 0.294 407 G C -1.505 173.049 174.900 -0.577 0.000 1.300 407 G CA -0.396 43.997 45.100 -1.179 0.000 0.843 407 G HN 0.740 nan 8.290 nan 0.000 0.527 408 I N -2.687 117.631 120.570 -0.420 0.000 2.892 408 I HA 0.817 4.987 4.170 -0.000 0.000 0.306 408 I C -1.216 174.808 176.117 -0.155 0.000 1.078 408 I CA -1.139 60.036 61.300 -0.209 0.000 1.032 408 I CB 2.770 40.742 38.000 -0.048 0.000 1.229 408 I HN 0.607 nan 8.210 nan 0.000 0.435 409 H N 3.888 122.832 119.070 -0.209 0.000 2.823 409 H HA 0.755 5.311 4.556 -0.000 0.000 0.332 409 H C -1.967 173.273 175.328 -0.146 0.000 0.980 409 H CA -0.550 55.378 56.048 -0.201 0.000 1.286 409 H CB 2.111 31.707 29.762 -0.277 0.000 1.541 409 H HN 0.595 nan 8.280 nan 0.000 0.521 410 V N 4.974 124.961 119.914 0.122 0.000 2.888 410 V HA 0.229 4.349 4.120 -0.000 0.000 0.309 410 V C -0.770 175.363 176.094 0.065 0.000 1.114 410 V CA -0.738 61.594 62.300 0.054 0.000 0.940 410 V CB 2.544 34.366 31.823 -0.002 0.000 1.021 410 V HN 0.762 nan 8.190 nan 0.000 0.426 411 E N 5.355 125.572 120.200 0.028 0.000 2.133 411 E HA 0.684 5.034 4.350 -0.000 0.000 0.274 411 E C -0.670 175.937 176.600 0.013 0.000 0.930 411 E CA -0.251 56.171 56.400 0.037 0.000 0.770 411 E CB 1.991 31.702 29.700 0.019 0.000 1.104 411 E HN 0.642 nan 8.360 nan 0.000 0.403 412 I N -1.148 119.428 120.570 0.011 0.000 3.458 412 I HA 0.759 4.929 4.170 -0.000 0.000 0.316 412 I C -0.698 175.407 176.117 -0.019 0.000 1.202 412 I CA -0.720 60.576 61.300 -0.008 0.000 0.929 412 I CB 2.609 40.598 38.000 -0.018 0.000 1.340 412 I HN 0.398 nan 8.210 nan 0.000 0.481 413 T N -0.875 113.655 114.554 -0.040 0.000 2.786 413 T HA 0.453 4.803 4.350 -0.000 0.000 0.316 413 T C 0.286 174.930 174.700 -0.093 0.000 1.503 413 T CA 0.074 62.135 62.100 -0.066 0.000 1.019 413 T CB 1.323 70.188 68.868 -0.004 0.000 1.415 413 T HN 1.056 nan 8.240 nan 0.000 0.496 414 G N 0.982 109.699 108.800 -0.139 0.000 2.572 414 G HA2 0.127 4.087 3.960 -0.000 0.000 0.216 414 G HA3 0.127 4.087 3.960 -0.000 0.000 0.216 414 G C 0.294 175.139 174.900 -0.092 0.000 1.133 414 G CA 0.219 45.235 45.100 -0.140 0.000 0.791 414 G HN 0.654 nan 8.290 nan 0.000 0.538 415 E N 0.909 121.081 120.200 -0.046 0.000 2.390 415 E HA 0.065 4.415 4.350 -0.000 0.000 0.261 415 E C -0.402 176.179 176.600 -0.032 0.000 1.076 415 E CA -0.415 55.974 56.400 -0.020 0.000 0.905 415 E CB 0.429 30.139 29.700 0.016 0.000 0.984 415 E HN -0.050 nan 8.360 nan 0.000 0.427 416 N N 1.168 119.851 118.700 -0.028 0.000 3.254 416 N HA 0.050 4.790 4.740 -0.000 0.000 0.308 416 N C -0.240 175.251 175.510 -0.032 0.000 1.281 416 N CA -0.085 52.949 53.050 -0.026 0.000 1.212 416 N CB -0.287 38.189 38.487 -0.019 0.000 1.478 416 N HN 0.274 nan 8.380 nan 0.000 0.548 417 V N -1.581 118.308 119.914 -0.041 0.000 3.641 417 V HA 0.611 4.731 4.120 -0.000 0.000 0.286 417 V C 0.946 177.008 176.094 -0.055 0.000 1.027 417 V CA -0.608 61.657 62.300 -0.058 0.000 1.032 417 V CB 0.780 32.549 31.823 -0.089 0.000 1.238 417 V HN 0.397 nan 8.190 nan 0.000 0.439 422 G N -0.673 108.104 108.800 -0.040 0.000 2.702 422 G HA2 0.584 4.544 3.960 -0.000 0.000 0.295 422 G HA3 0.584 4.544 3.960 -0.000 0.000 0.295 422 G C 0.289 175.028 174.900 -0.267 0.000 1.446 422 G CA 0.247 45.267 45.100 -0.132 0.000 0.983 422 G HN 1.118 nan 8.290 nan 0.000 0.520 423 G N 0.252 108.956 108.800 -0.160 0.000 2.276 423 G HA2 0.247 4.207 3.960 -0.000 0.000 0.177 423 G HA3 0.247 4.207 3.960 -0.000 0.000 0.177 423 G C 1.017 175.804 174.900 -0.188 0.000 1.017 423 G CA 0.884 45.928 45.100 -0.092 0.000 0.750 423 G HN 1.410 nan 8.290 nan 0.000 0.506 424 A N -0.333 122.259 122.820 -0.381 0.000 1.830 424 A HA 0.461 4.781 4.320 -0.000 0.000 0.214 424 A C 1.589 179.022 177.584 -0.253 0.000 1.218 424 A CA 3.005 54.691 52.037 -0.584 0.000 0.628 424 A CB -0.604 18.164 19.000 -0.387 0.000 0.860 424 A HN 1.894 nan 8.150 nan 0.000 0.454 425 Q N -1.359 118.360 119.800 -0.134 0.000 2.464 425 Q HA 0.473 4.813 4.340 -0.000 0.000 0.256 425 Q C -0.229 175.738 176.000 -0.055 0.000 1.020 425 Q CA 1.073 56.835 55.803 -0.068 0.000 0.716 425 Q CB -0.699 28.009 28.738 -0.049 0.000 1.230 425 Q HN 2.307 nan 8.270 nan 0.000 0.494 426 D N 1.223 121.598 120.400 -0.042 0.000 4.465 426 D HA 0.002 4.642 4.640 -0.000 0.000 0.244 426 D C -0.145 176.132 176.300 -0.039 0.000 1.062 426 D CA 0.954 54.937 54.000 -0.028 0.000 1.227 426 D CB -1.958 38.829 40.800 -0.021 0.000 0.829 426 D HN 1.090 nan 8.370 nan 0.000 0.402 433 A N 0.684 123.359 122.820 -0.242 0.000 2.070 433 A HA 0.055 4.375 4.320 -0.000 0.000 0.220 433 A C 2.018 179.569 177.584 -0.056 0.000 1.159 433 A CA 1.914 53.916 52.037 -0.059 0.000 0.656 433 A CB -0.754 18.335 19.000 0.148 0.000 0.800 433 A HN 0.467 nan 8.150 nan 0.000 0.453 434 G N -0.290 108.467 108.800 -0.072 0.000 2.604 434 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 434 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 434 G C 1.120 175.999 174.900 -0.034 0.000 1.265 434 G CA 0.598 45.675 45.100 -0.038 0.000 0.804 434 G HN 0.477 nan 8.290 nan 0.000 0.579 435 R N -0.868 119.600 120.500 -0.053 0.000 2.701 435 R HA 0.173 4.513 4.340 -0.000 0.000 0.281 435 R C -1.319 174.954 176.300 -0.046 0.000 1.367 435 R CA -0.474 55.603 56.100 -0.038 0.000 1.510 435 R CB 0.523 30.800 30.300 -0.038 0.000 1.306 435 R HN 0.383 nan 8.270 nan 0.000 0.682 436 Y N 1.175 121.360 120.300 -0.192 0.000 2.594 436 Y HA 0.060 4.610 4.550 -0.000 0.000 0.344 436 Y C 0.921 176.782 175.900 -0.066 0.000 1.185 436 Y CA 0.374 58.361 58.100 -0.189 0.000 1.565 436 Y CB 0.333 38.540 38.460 -0.421 0.000 1.415 436 Y HN 0.266 nan 8.280 nan 0.000 0.488 437 E N 1.432 121.509 120.200 -0.205 0.000 2.415 437 E HA -0.005 4.345 4.350 -0.000 0.000 0.197 437 E C 0.714 177.170 176.600 -0.239 0.000 1.007 437 E CA 0.003 56.309 56.400 -0.158 0.000 0.890 437 E CB 0.429 30.053 29.700 -0.127 0.000 0.891 437 E HN 0.500 nan 8.360 nan 0.000 0.496 438 T N -0.344 113.999 114.554 -0.352 0.000 2.946 438 T HA 0.020 4.370 4.350 -0.000 0.000 0.312 438 T C 0.757 175.333 174.700 -0.206 0.000 1.066 438 T CA 0.357 62.287 62.100 -0.283 0.000 1.138 438 T CB 0.934 69.609 68.868 -0.321 0.000 1.014 438 T HN 0.151 nan 8.240 nan 0.000 0.544 439 A N 3.472 126.184 122.820 -0.180 0.000 2.370 439 A HA 0.411 4.731 4.320 -0.000 0.000 0.238 439 A C 1.294 179.009 177.584 0.218 0.000 1.289 439 A CA 0.281 52.248 52.037 -0.117 0.000 0.885 439 A CB -1.036 17.856 19.000 -0.179 0.000 0.961 439 A HN 1.035 nan 8.150 nan 0.000 0.499 440 c N -1.965 116.717 118.600 0.138 0.000 4.159 440 c HA 0.465 5.035 4.570 -0.000 0.000 0.280 440 c C -1.161 173.027 174.090 0.164 0.000 5.107 440 c CA -0.183 56.254 56.329 0.180 0.000 1.595 440 c CB -0.269 42.319 42.510 0.131 0.000 5.843 440 c HN 0.269 nan 8.230 nan 0.000 0.482 441 D N 3.719 124.195 120.400 0.126 0.000 2.341 441 D HA 0.355 4.995 4.640 -0.000 0.000 0.245 441 D C -2.451 173.868 176.300 0.031 0.000 1.106 441 D CA -1.027 53.047 54.000 0.123 0.000 0.905 441 D CB 0.295 41.159 40.800 0.106 0.000 1.202 441 D HN 0.448 nan 8.370 nan 0.000 0.426 442 P HA -0.097 nan 4.420 nan 0.000 0.255 442 P C 0.877 178.160 177.300 -0.028 0.000 1.173 442 P CA -0.019 63.083 63.100 0.004 0.000 0.780 442 P CB 0.525 32.319 31.700 0.156 0.000 0.758 443 R N 3.959 124.410 120.500 -0.081 0.000 2.075 443 R HA -0.030 4.310 4.340 -0.000 0.000 0.230 443 R C 0.670 176.967 176.300 -0.006 0.000 1.140 443 R CA 0.562 56.639 56.100 -0.039 0.000 0.928 443 R CB -1.430 28.843 30.300 -0.045 0.000 0.834 443 R HN 0.441 nan 8.270 nan 0.000 0.429 444 L N 2.321 123.546 121.223 0.002 0.000 1.121 444 L HA -0.106 4.234 4.340 -0.000 0.000 0.649 444 L C -1.038 175.841 176.870 0.015 0.000 1.080 444 L CA 0.129 54.994 54.840 0.041 0.000 1.357 444 L CB -0.923 41.174 42.059 0.062 0.000 2.227 444 L HN 0.642 nan 8.230 nan 0.000 1.052 445 N N 0.701 119.399 118.700 -0.004 0.000 2.260 445 N HA 0.138 4.878 4.740 -0.000 0.000 0.230 445 N C 0.974 176.466 175.510 -0.030 0.000 1.323 445 N CA 0.494 53.529 53.050 -0.025 0.000 0.897 445 N CB 0.096 38.564 38.487 -0.031 0.000 1.146 445 N HN 0.447 nan 8.380 nan 0.000 0.460 446 T N -0.810 113.715 114.554 -0.048 0.000 2.685 446 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 446 T C 1.440 176.086 174.700 -0.090 0.000 1.034 446 T CA 1.831 63.887 62.100 -0.073 0.000 1.149 446 T CB -0.295 68.523 68.868 -0.084 0.000 0.860 446 T HN 0.540 nan 8.240 nan 0.000 0.449 447 Q N -0.164 119.608 119.800 -0.046 0.000 2.172 447 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 447 Q C 2.512 178.481 176.000 -0.052 0.000 0.964 447 Q CA 1.033 56.822 55.803 -0.023 0.000 0.855 447 Q CB -0.106 28.719 28.738 0.145 0.000 0.918 447 Q HN 0.666 nan 8.270 nan 0.000 0.444 448 Q N 0.473 120.251 119.800 -0.036 0.000 2.123 448 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 448 Q C 2.322 178.410 176.000 0.147 0.000 0.966 448 Q CA 1.538 57.337 55.803 -0.006 0.000 0.845 448 Q CB -0.000 28.745 28.738 0.013 0.000 0.907 448 Q HN 0.347 nan 8.270 nan 0.000 0.439 449 S N 0.681 116.418 115.700 0.062 0.000 2.419 449 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 449 S C 1.861 176.453 174.600 -0.015 0.000 1.016 449 S CA 0.814 59.041 58.200 0.046 0.000 0.974 449 S CB -0.195 63.003 63.200 -0.003 0.000 0.786 449 S HN 0.268 nan 8.310 nan 0.000 0.492 450 L N 1.668 122.817 121.223 -0.123 0.000 2.131 450 L HA 0.220 4.560 4.340 -0.000 0.000 0.206 450 L C 2.337 179.152 176.870 -0.092 0.000 1.087 450 L CA 1.555 56.267 54.840 -0.214 0.000 0.767 450 L CB -0.818 40.922 42.059 -0.532 0.000 0.917 450 L HN 0.276 nan 8.230 nan 0.000 0.441 451 E N -0.702 119.465 120.200 -0.055 0.000 2.077 451 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 451 E C 2.081 178.787 176.600 0.176 0.000 0.989 451 E CA 1.373 57.801 56.400 0.047 0.000 0.800 451 E CB -0.275 29.544 29.700 0.198 0.000 0.746 451 E HN 0.370 nan 8.360 nan 0.000 0.452 452 L N 0.946 122.328 121.223 0.264 0.000 2.083 452 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 452 L C 2.159 179.064 176.870 0.059 0.000 1.083 452 L CA 1.968 56.905 54.840 0.163 0.000 0.752 452 L CB -0.596 41.523 42.059 0.099 0.000 0.899 452 L HN 0.025 nan 8.230 nan 0.000 0.433 453 A N -1.052 121.774 122.820 0.010 0.000 1.902 453 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 453 A C 2.136 179.638 177.584 -0.137 0.000 1.181 453 A CA 1.875 53.867 52.037 -0.076 0.000 0.623 453 A CB -1.081 17.832 19.000 -0.144 0.000 0.818 453 A HN 0.450 nan 8.150 nan 0.000 0.443 454 F N 0.036 119.895 119.950 -0.152 0.000 2.134 454 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 454 F C 2.141 177.916 175.800 -0.041 0.000 1.097 454 F CA 1.535 59.440 58.000 -0.158 0.000 1.264 454 F CB -0.397 38.294 39.000 -0.516 0.000 1.001 454 F HN 0.095 nan 8.300 nan 0.000 0.479 455 L N -0.979 120.339 121.223 0.158 0.000 2.083 455 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 455 L C 2.223 179.100 176.870 0.011 0.000 1.083 455 L CA 0.642 55.569 54.840 0.145 0.000 0.752 455 L CB -0.744 41.413 42.059 0.164 0.000 0.899 455 L HN -0.027 nan 8.230 nan 0.000 0.433 456 V N -0.197 119.698 119.914 -0.032 0.000 2.591 456 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 456 V C 2.730 178.709 176.094 -0.192 0.000 1.053 456 V CA 1.400 63.624 62.300 -0.127 0.000 1.068 456 V CB -0.676 31.137 31.823 -0.016 0.000 0.689 456 V HN 0.437 nan 8.190 nan 0.000 0.462 457 A N -0.130 122.617 122.820 -0.122 0.000 1.917 457 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 457 A C 2.204 179.740 177.584 -0.081 0.000 1.182 457 A CA 1.828 53.796 52.037 -0.115 0.000 0.633 457 A CB -0.403 18.550 19.000 -0.078 0.000 0.819 457 A HN 0.502 nan 8.150 nan 0.000 0.448 458 E N -0.409 119.776 120.200 -0.025 0.000 2.106 458 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 458 E C 2.049 178.584 176.600 -0.109 0.000 0.984 458 E CA 1.222 57.618 56.400 -0.008 0.000 0.806 458 E CB -0.420 29.320 29.700 0.066 0.000 0.750 458 E HN 0.758 nan 8.360 nan 0.000 0.458 459 M N 0.092 119.546 119.600 -0.242 0.000 2.213 459 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 459 M C 2.280 178.336 176.300 -0.407 0.000 1.062 459 M CA 1.121 56.158 55.300 -0.439 0.000 1.105 459 M CB -0.250 31.812 32.600 -0.896 0.000 1.385 459 M HN 0.037 nan 8.290 nan 0.000 0.417 460 L N -0.556 120.472 121.223 -0.324 0.000 2.156 460 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 460 L C 2.510 179.346 176.870 -0.057 0.000 1.095 460 L CA 1.194 55.959 54.840 -0.125 0.000 0.770 460 L CB -0.358 41.595 42.059 -0.175 0.000 0.914 460 L HN 0.233 nan 8.230 nan 0.000 0.439 461 R N -0.768 119.694 120.500 -0.063 0.000 2.080 461 R HA -0.013 4.327 4.340 -0.000 0.000 0.222 461 R C 0.807 177.101 176.300 -0.011 0.000 1.107 461 R CA 0.061 56.143 56.100 -0.029 0.000 0.980 461 R CB -0.431 29.866 30.300 -0.005 0.000 0.879 461 R HN 0.170 nan 8.270 nan 0.000 0.439 462 D N 0.000 120.387 120.400 -0.021 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 462 D CB 0.000 40.776 40.800 -0.040 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683