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 2dr5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVEEILEKA LELVIPDEEE VRKGREAEEE LRRRLDELGV EYVFVGSYAR DATA SEQUENCE NTWLKGSLEI DVFLLFPEEF SKEELRERGL EIGKAVLDSY EIRYAEHPYV DATA SEQUENCE HGVVKGVEVD VVPCYKLKEP KNIKSAVDRT PFHHKWLEGR IKGKENEVRL DATA SEQUENCE LKGFLKANGI YGAEYKVRGF SGYLCELLIV FYGSFLETVK NARRWTRRTV DATA SEQUENCE IDVAKGEVRK GEEFFVVDPV DEKRNVAANL SLDNLARFVH LCREFMEAPS DATA SEQUENCE LGFFKPKHPL EIEPERLRKI VEERGTAVFA VKFRKPDIVD DNLYPQLERA DATA SEQUENCE SRKIFEFLER ENFMPLRSAF KASEEFCYLL FECQIKEISR VFRRMGPQFE DATA SEQUENCE DERNVKKFLS RNRAFRPFIE NGRWWAFEMR KFTTPEEGVR SYASTHWHTL DATA SEQUENCE GKNVGESIRE YFEIISGEKL FKEPVTAELC EMMGVKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.266 176.300 -0.056 0.000 1.140 1 M CA 0.000 55.284 55.300 -0.026 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 2 K N 0.763 121.134 120.400 -0.049 0.000 2.130 2 K HA 0.616 4.922 4.320 -0.024 0.000 0.268 2 K C 0.478 177.040 176.600 -0.063 0.000 0.983 2 K CA -0.499 55.749 56.287 -0.065 0.000 0.893 2 K CB 1.457 33.929 32.500 -0.046 0.000 1.066 2 K HN 0.480 nan 8.250 nan 0.000 0.450 3 V N 3.540 123.397 119.914 -0.096 0.000 2.225 3 V HA -0.384 3.722 4.120 -0.024 0.000 0.252 3 V C 1.831 177.944 176.094 0.032 0.000 1.055 3 V CA 2.375 64.641 62.300 -0.057 0.000 1.032 3 V CB -0.855 30.935 31.823 -0.055 0.000 0.655 3 V HN 0.949 nan 8.190 nan 0.000 0.458 4 E N -0.310 119.901 120.200 0.018 0.000 2.164 4 E HA -0.295 4.041 4.350 -0.024 0.000 0.206 4 E C 2.224 178.832 176.600 0.013 0.000 1.032 4 E CA 1.726 58.139 56.400 0.021 0.000 0.832 4 E CB -0.272 29.429 29.700 0.002 0.000 0.742 4 E HN 0.631 nan 8.360 nan 0.000 0.460 5 E N 0.225 120.427 120.200 0.003 0.000 2.110 5 E HA -0.155 4.181 4.350 -0.024 0.000 0.193 5 E C 2.138 178.741 176.600 0.005 0.000 0.988 5 E CA 0.690 57.089 56.400 -0.002 0.000 0.804 5 E CB -0.099 29.598 29.700 -0.005 0.000 0.745 5 E HN 0.319 nan 8.360 nan 0.000 0.458 6 I N 0.913 121.504 120.570 0.034 0.000 2.202 6 I HA -0.202 3.954 4.170 -0.024 0.000 0.242 6 I C 2.524 178.642 176.117 0.001 0.000 1.091 6 I CA 0.832 62.173 61.300 0.068 0.000 1.368 6 I CB -1.089 37.021 38.000 0.183 0.000 1.058 6 I HN 0.091 nan 8.210 nan 0.000 0.410 7 L N 0.368 121.611 121.223 0.033 0.000 2.079 7 L HA -0.228 4.098 4.340 -0.024 0.000 0.210 7 L C 2.568 179.353 176.870 -0.142 0.000 1.081 7 L CA 1.396 56.192 54.840 -0.073 0.000 0.752 7 L CB -0.596 41.491 42.059 0.046 0.000 0.896 7 L HN 0.344 nan 8.230 nan 0.000 0.433 8 E N 0.907 121.061 120.200 -0.078 0.000 2.031 8 E HA -0.255 4.081 4.350 -0.024 0.000 0.193 8 E C 2.130 178.665 176.600 -0.108 0.000 0.994 8 E CA 1.448 57.800 56.400 -0.081 0.000 0.800 8 E CB 0.106 29.777 29.700 -0.047 0.000 0.752 8 E HN 0.417 nan 8.360 nan 0.000 0.447 9 K N -0.012 120.328 120.400 -0.100 0.000 2.148 9 K HA -0.053 4.253 4.320 -0.024 0.000 0.204 9 K C 2.110 178.609 176.600 -0.169 0.000 1.050 9 K CA 0.827 57.053 56.287 -0.101 0.000 0.942 9 K CB -0.055 32.410 32.500 -0.058 0.000 0.724 9 K HN 0.138 nan 8.250 nan 0.000 0.446 10 A N 1.586 124.230 122.820 -0.294 0.000 1.933 10 A HA -0.123 4.183 4.320 -0.024 0.000 0.218 10 A C 2.064 179.408 177.584 -0.399 0.000 1.175 10 A CA 1.096 52.820 52.037 -0.522 0.000 0.628 10 A CB -0.645 17.614 19.000 -1.235 0.000 0.814 10 A HN 0.172 nan 8.150 nan 0.000 0.444 11 L N -0.141 120.896 121.223 -0.309 0.000 2.137 11 L HA -0.261 4.064 4.340 -0.024 0.000 0.213 11 L C 2.294 179.063 176.870 -0.168 0.000 1.085 11 L CA 1.713 56.418 54.840 -0.224 0.000 0.760 11 L CB -0.664 41.295 42.059 -0.167 0.000 0.893 11 L HN 0.534 nan 8.230 nan 0.000 0.434 12 E N -0.200 119.914 120.200 -0.143 0.000 2.409 12 E HA -0.143 4.193 4.350 -0.024 0.000 0.198 12 E C 1.939 178.488 176.600 -0.085 0.000 1.024 12 E CA 0.668 57.010 56.400 -0.097 0.000 0.861 12 E CB 0.031 29.687 29.700 -0.075 0.000 0.788 12 E HN 0.592 nan 8.360 nan 0.000 0.521 13 L N 0.108 121.265 121.223 -0.110 0.000 2.556 13 L HA 0.046 4.372 4.340 -0.024 0.000 0.226 13 L C 1.900 178.729 176.870 -0.067 0.000 1.089 13 L CA 0.143 54.941 54.840 -0.070 0.000 0.864 13 L CB 0.561 42.588 42.059 -0.052 0.000 1.067 13 L HN 0.064 nan 8.230 nan 0.000 0.477 14 V N -4.246 115.601 119.914 -0.110 0.000 3.502 14 V HA 0.346 4.451 4.120 -0.024 0.000 0.288 14 V C 0.660 176.665 176.094 -0.148 0.000 1.461 14 V CA -0.235 61.999 62.300 -0.110 0.000 1.029 14 V CB 0.250 32.000 31.823 -0.123 0.000 0.843 14 V HN 0.041 nan 8.190 nan 0.000 0.438 15 I N 2.808 123.287 120.570 -0.152 0.000 2.336 15 I HA 0.482 4.637 4.170 -0.024 0.000 0.292 15 I C -2.471 173.550 176.117 -0.160 0.000 0.991 15 I CA -2.138 59.048 61.300 -0.190 0.000 1.227 15 I CB 1.737 39.639 38.000 -0.162 0.000 1.366 15 I HN 0.044 nan 8.210 nan 0.000 0.466 16 P HA 0.056 nan 4.420 nan 0.000 0.271 16 P C -1.188 176.085 177.300 -0.045 0.000 1.216 16 P CA -0.263 62.780 63.100 -0.095 0.000 0.776 16 P CB 0.381 31.990 31.700 -0.153 0.000 0.881 17 D N 0.748 121.160 120.400 0.020 0.000 2.411 17 D HA 0.052 4.678 4.640 -0.024 0.000 0.251 17 D C 0.961 177.291 176.300 0.051 0.000 1.201 17 D CA -0.438 53.574 54.000 0.019 0.000 0.996 17 D CB 0.210 41.023 40.800 0.023 0.000 1.101 17 D HN 0.334 nan 8.370 nan 0.000 0.504 18 E N -0.383 119.840 120.200 0.038 0.000 2.086 18 E HA -0.278 4.058 4.350 -0.024 0.000 0.205 18 E C 1.654 178.300 176.600 0.077 0.000 1.027 18 E CA 1.602 58.033 56.400 0.051 0.000 0.830 18 E CB -0.025 29.696 29.700 0.034 0.000 0.751 18 E HN 0.471 nan 8.360 nan 0.000 0.456 19 E N 0.621 120.863 120.200 0.069 0.000 2.013 19 E HA -0.262 4.073 4.350 -0.024 0.000 0.202 19 E C 2.100 178.766 176.600 0.110 0.000 1.018 19 E CA 1.241 57.686 56.400 0.076 0.000 0.834 19 E CB -0.420 29.317 29.700 0.061 0.000 0.770 19 E HN 0.348 nan 8.360 nan 0.000 0.459 20 E N 0.479 120.760 120.200 0.136 0.000 2.171 20 E HA -0.166 4.169 4.350 -0.024 0.000 0.197 20 E C 2.111 178.887 176.600 0.292 0.000 0.997 20 E CA 1.246 57.765 56.400 0.199 0.000 0.810 20 E CB 0.174 30.020 29.700 0.243 0.000 0.738 20 E HN 0.020 nan 8.360 nan 0.000 0.467 21 V N 0.947 121.037 119.914 0.293 0.000 2.323 21 V HA -0.215 3.891 4.120 -0.024 0.000 0.244 21 V C 2.603 178.858 176.094 0.267 0.000 1.041 21 V CA 2.015 64.539 62.300 0.374 0.000 1.025 21 V CB -0.658 31.310 31.823 0.241 0.000 0.656 21 V HN 0.290 nan 8.190 nan 0.000 0.451 22 R N 0.719 121.321 120.500 0.169 0.000 2.070 22 R HA -0.236 4.090 4.340 -0.024 0.000 0.233 22 R C 2.451 178.816 176.300 0.110 0.000 1.137 22 R CA 2.248 58.422 56.100 0.123 0.000 0.945 22 R CB -0.364 29.987 30.300 0.085 0.000 0.845 22 R HN 0.478 nan 8.270 nan 0.000 0.430 23 K N -0.571 119.887 120.400 0.098 0.000 2.113 23 K HA -0.146 4.160 4.320 -0.024 0.000 0.208 23 K C 1.869 178.491 176.600 0.037 0.000 1.047 23 K CA 1.888 58.211 56.287 0.059 0.000 0.928 23 K CB -0.395 32.138 32.500 0.055 0.000 0.716 23 K HN 0.397 nan 8.250 nan 0.000 0.446 24 G N 0.480 109.326 108.800 0.077 0.000 2.430 24 G HA2 -0.156 3.790 3.960 -0.024 0.000 0.216 24 G HA3 -0.156 3.790 3.960 -0.024 0.000 0.216 24 G C 1.479 176.431 174.900 0.087 0.000 1.146 24 G CA -0.041 45.058 45.100 -0.002 0.000 0.793 24 G HN 0.124 nan 8.290 nan 0.000 0.537 25 R N 0.905 121.518 120.500 0.188 0.000 2.066 25 R HA -0.014 4.312 4.340 -0.024 0.000 0.232 25 R C 2.464 178.827 176.300 0.106 0.000 1.131 25 R CA 1.315 57.531 56.100 0.193 0.000 0.955 25 R CB -0.719 29.680 30.300 0.164 0.000 0.851 25 R HN 0.554 nan 8.270 nan 0.000 0.432 26 E N 0.368 120.609 120.200 0.067 0.000 2.204 26 E HA -0.092 4.243 4.350 -0.024 0.000 0.194 26 E C 1.891 178.501 176.600 0.016 0.000 0.989 26 E CA 1.044 57.467 56.400 0.038 0.000 0.824 26 E CB -0.080 29.637 29.700 0.030 0.000 0.756 26 E HN 0.287 nan 8.360 nan 0.000 0.477 27 A N 1.772 124.587 122.820 -0.009 0.000 1.897 27 A HA -0.206 4.100 4.320 -0.024 0.000 0.215 27 A C 2.135 179.699 177.584 -0.034 0.000 1.181 27 A CA 1.250 53.255 52.037 -0.053 0.000 0.620 27 A CB -0.330 18.599 19.000 -0.119 0.000 0.821 27 A HN 0.216 nan 8.150 nan 0.000 0.443 28 E N -0.128 120.071 120.200 -0.002 0.000 2.077 28 E HA -0.254 4.081 4.350 -0.024 0.000 0.193 28 E C 1.984 178.656 176.600 0.121 0.000 0.989 28 E CA 1.459 57.941 56.400 0.137 0.000 0.800 28 E CB -0.146 29.714 29.700 0.267 0.000 0.746 28 E HN 0.751 nan 8.360 nan 0.000 0.452 29 E N 0.346 120.584 120.200 0.063 0.000 2.017 29 E HA -0.270 4.066 4.350 -0.024 0.000 0.193 29 E C 2.039 178.656 176.600 0.028 0.000 0.997 29 E CA 1.589 58.008 56.400 0.033 0.000 0.804 29 E CB -0.108 29.609 29.700 0.030 0.000 0.757 29 E HN 0.115 nan 8.360 nan 0.000 0.448 30 E N 0.463 120.674 120.200 0.018 0.000 2.114 30 E HA -0.233 4.103 4.350 -0.024 0.000 0.199 30 E C 1.969 178.567 176.600 -0.003 0.000 1.008 30 E CA 1.171 57.573 56.400 0.004 0.000 0.810 30 E CB -0.432 29.263 29.700 -0.009 0.000 0.739 30 E HN 0.297 nan 8.360 nan 0.000 0.456 31 L N 0.719 121.947 121.223 0.008 0.000 2.131 31 L HA -0.100 4.225 4.340 -0.024 0.000 0.210 31 L C 2.064 178.918 176.870 -0.026 0.000 1.092 31 L CA 1.813 56.644 54.840 -0.014 0.000 0.759 31 L CB -0.354 41.710 42.059 0.008 0.000 0.903 31 L HN 0.100 nan 8.230 nan 0.000 0.435 32 R N -1.129 119.393 120.500 0.036 0.000 2.090 32 R HA -0.057 4.269 4.340 -0.024 0.000 0.228 32 R C 2.294 178.612 176.300 0.029 0.000 1.110 32 R CA 1.082 57.175 56.100 -0.012 0.000 0.973 32 R CB -0.393 29.933 30.300 0.044 0.000 0.869 32 R HN 0.344 nan 8.270 nan 0.000 0.440 33 R N 0.984 121.499 120.500 0.025 0.000 2.088 33 R HA -0.086 4.240 4.340 -0.024 0.000 0.232 33 R C 2.412 178.722 176.300 0.017 0.000 1.136 33 R CA 1.689 57.806 56.100 0.029 0.000 0.926 33 R CB -0.314 29.995 30.300 0.016 0.000 0.837 33 R HN 0.184 nan 8.270 nan 0.000 0.429 34 R N 0.637 121.131 120.500 -0.011 0.000 2.103 34 R HA -0.171 4.155 4.340 -0.024 0.000 0.242 34 R C 2.379 178.666 176.300 -0.022 0.000 1.142 34 R CA 1.435 57.523 56.100 -0.022 0.000 0.960 34 R CB -0.595 29.679 30.300 -0.042 0.000 0.858 34 R HN 0.238 nan 8.270 nan 0.000 0.439 35 L N 0.506 121.698 121.223 -0.053 0.000 2.141 35 L HA -0.167 4.158 4.340 -0.024 0.000 0.209 35 L C 1.529 178.472 176.870 0.120 0.000 1.094 35 L CA 1.061 55.878 54.840 -0.039 0.000 0.763 35 L CB -0.212 41.648 42.059 -0.332 0.000 0.908 35 L HN 0.142 nan 8.230 nan 0.000 0.437 36 D N -0.653 119.834 120.400 0.145 0.000 2.271 36 D HA -0.118 4.508 4.640 -0.024 0.000 0.206 36 D C 1.925 178.267 176.300 0.071 0.000 0.967 36 D CA 0.597 54.685 54.000 0.147 0.000 0.867 36 D CB 0.146 41.036 40.800 0.150 0.000 0.960 36 D HN 0.285 nan 8.370 nan 0.000 0.509 37 E N -0.053 120.175 120.200 0.047 0.000 2.333 37 E HA -0.041 4.295 4.350 -0.024 0.000 0.198 37 E C 1.431 178.045 176.600 0.024 0.000 1.007 37 E CA 0.444 56.860 56.400 0.027 0.000 0.845 37 E CB 0.172 29.881 29.700 0.016 0.000 0.766 37 E HN 0.269 nan 8.360 nan 0.000 0.507 38 L N -1.396 119.846 121.223 0.030 0.000 2.693 38 L HA 0.277 4.602 4.340 -0.024 0.000 0.235 38 L C 1.076 177.965 176.870 0.032 0.000 1.127 38 L CA 0.068 54.923 54.840 0.025 0.000 0.914 38 L CB 0.498 42.567 42.059 0.017 0.000 1.193 38 L HN 0.098 nan 8.230 nan 0.000 0.502 39 G N 1.869 110.697 108.800 0.046 0.000 2.338 39 G HA2 -0.228 3.718 3.960 -0.024 0.000 0.296 39 G HA3 -0.228 3.718 3.960 -0.024 0.000 0.296 39 G C -0.002 174.915 174.900 0.028 0.000 1.040 39 G CA 0.238 45.360 45.100 0.037 0.000 1.004 39 G HN 0.131 nan 8.290 nan 0.000 0.509 40 V N -0.637 119.321 119.914 0.073 0.000 2.567 40 V HA 0.391 4.497 4.120 -0.024 0.000 0.289 40 V C 0.844 176.961 176.094 0.038 0.000 1.049 40 V CA -0.871 61.454 62.300 0.042 0.000 0.969 40 V CB 1.946 33.810 31.823 0.068 0.000 0.995 40 V HN 0.416 nan 8.190 nan 0.000 0.471 41 E N 3.246 123.377 120.200 -0.116 0.000 2.003 41 E HA 0.306 4.641 4.350 -0.024 0.000 0.279 41 E C -1.334 175.200 176.600 -0.110 0.000 1.132 41 E CA -0.143 56.147 56.400 -0.184 0.000 0.888 41 E CB 0.403 29.957 29.700 -0.243 0.000 1.056 41 E HN 0.683 nan 8.360 nan 0.000 0.399 42 Y N 0.252 120.514 120.300 -0.064 0.000 2.602 42 Y HA 0.709 5.244 4.550 -0.024 0.000 0.342 42 Y C -1.030 174.916 175.900 0.078 0.000 1.029 42 Y CA -1.424 56.675 58.100 -0.001 0.000 1.080 42 Y CB 1.259 39.755 38.460 0.059 0.000 1.284 42 Y HN 0.028 nan 8.280 nan 0.000 0.485 43 V N 3.373 123.510 119.914 0.371 0.000 2.559 43 V HA 0.376 4.482 4.120 -0.024 0.000 0.289 43 V C -1.674 174.633 176.094 0.354 0.000 1.036 43 V CA -0.863 61.619 62.300 0.303 0.000 0.887 43 V CB 0.290 32.172 31.823 0.098 0.000 1.022 43 V HN 0.661 nan 8.190 nan 0.000 0.442 44 F N 6.596 126.626 119.950 0.133 0.000 2.578 44 F HA 0.443 4.956 4.527 -0.024 0.000 0.381 44 F C 0.769 176.453 175.800 -0.192 0.000 1.069 44 F CA 0.691 58.718 58.000 0.046 0.000 1.231 44 F CB 0.887 39.963 39.000 0.128 0.000 1.086 44 F HN 0.499 nan 8.300 nan 0.000 0.564 45 V N 0.348 120.164 119.914 -0.164 0.000 3.204 45 V HA 1.044 5.150 4.120 -0.024 0.000 0.308 45 V C 0.364 176.315 176.094 -0.238 0.000 1.324 45 V CA -0.587 61.351 62.300 -0.604 0.000 1.042 45 V CB 0.917 32.296 31.823 -0.741 0.000 1.167 45 V HN 1.319 nan 8.190 nan 0.000 0.478 46 G N 0.053 108.741 108.800 -0.187 0.000 2.877 46 G HA2 -0.157 3.788 3.960 -0.024 0.000 0.279 46 G HA3 -0.157 3.788 3.960 -0.024 0.000 0.279 46 G C 0.879 175.884 174.900 0.175 0.000 1.431 46 G CA 0.892 46.017 45.100 0.042 0.000 0.883 46 G HN 2.281 nan 8.290 nan 0.000 0.547 47 S N -1.127 114.714 115.700 0.235 0.000 2.409 47 S HA -0.294 4.162 4.470 -0.024 0.000 0.237 47 S C 1.947 176.779 174.600 0.387 0.000 1.060 47 S CA 2.833 61.223 58.200 0.317 0.000 1.052 47 S CB -0.418 62.995 63.200 0.356 0.000 0.871 47 S HN 1.316 nan 8.310 nan 0.000 0.465 48 Y N 1.744 122.172 120.300 0.213 0.000 2.184 48 Y HA 0.126 4.662 4.550 -0.023 0.000 0.290 48 Y C 2.456 178.519 175.900 0.272 0.000 1.129 48 Y CA 1.107 59.319 58.100 0.186 0.000 1.144 48 Y CB -1.130 37.286 38.460 -0.073 0.000 0.995 48 Y HN 0.310 nan 8.280 nan 0.000 0.513 49 A N 0.937 123.847 122.820 0.151 0.000 1.859 49 A HA -0.248 4.058 4.320 -0.024 0.000 0.217 49 A C 2.146 179.794 177.584 0.107 0.000 1.198 49 A CA 2.125 54.235 52.037 0.123 0.000 0.629 49 A CB -0.771 18.340 19.000 0.185 0.000 0.830 49 A HN 0.526 nan 8.150 nan 0.000 0.446 50 R N -0.545 120.085 120.500 0.216 0.000 2.340 50 R HA 0.044 4.369 4.340 -0.024 0.000 0.215 50 R C -0.328 176.043 176.300 0.119 0.000 1.017 50 R CA 0.350 56.556 56.100 0.177 0.000 1.111 50 R CB -0.487 29.947 30.300 0.224 0.000 1.049 50 R HN 0.634 nan 8.270 nan 0.000 0.490 51 N N 0.547 119.317 118.700 0.117 0.000 2.714 51 N HA -0.155 4.570 4.740 -0.024 0.000 0.252 51 N C -0.755 174.767 175.510 0.019 0.000 1.014 51 N CA 1.620 54.720 53.050 0.083 0.000 0.735 51 N CB -0.761 37.710 38.487 -0.028 0.000 0.924 51 N HN 0.415 nan 8.380 nan 0.000 0.540 52 T N -3.483 111.164 114.554 0.156 0.000 3.584 52 T HA 0.389 4.724 4.350 -0.024 0.000 0.259 52 T C -0.449 174.370 174.700 0.199 0.000 1.009 52 T CA -0.915 61.242 62.100 0.094 0.000 1.103 52 T CB -0.742 68.207 68.868 0.134 0.000 1.099 52 T HN 0.419 nan 8.240 nan 0.000 0.539 53 W N 1.519 122.871 121.300 0.086 0.000 2.433 53 W HA 0.776 5.423 4.660 -0.022 0.000 0.315 53 W C -0.702 175.854 176.519 0.063 0.000 1.087 53 W CA -2.180 55.228 57.345 0.107 0.000 1.205 53 W CB 0.565 30.118 29.460 0.155 0.000 1.288 53 W HN 0.122 nan 8.180 nan 0.000 0.504 54 L N 4.904 126.239 121.223 0.187 0.000 2.525 54 L HA 0.062 4.388 4.340 -0.024 0.000 0.278 54 L C 1.030 177.980 176.870 0.132 0.000 1.218 54 L CA 0.054 54.920 54.840 0.044 0.000 0.878 54 L CB 0.105 42.157 42.059 -0.013 0.000 1.127 54 L HN 0.676 nan 8.230 nan 0.000 0.492 55 K N 4.149 124.551 120.400 0.004 0.000 2.569 55 K HA 0.114 4.420 4.320 -0.024 0.000 0.280 55 K C 1.004 177.704 176.600 0.166 0.000 0.984 55 K CA 0.998 57.322 56.287 0.062 0.000 1.064 55 K CB -0.099 32.397 32.500 -0.006 0.000 0.866 55 K HN 0.982 nan 8.250 nan 0.000 0.492 56 G N 2.444 111.388 108.800 0.241 0.000 2.153 56 G HA2 -0.247 3.699 3.960 -0.024 0.000 0.252 56 G HA3 -0.247 3.699 3.960 -0.024 0.000 0.252 56 G C 0.107 175.126 174.900 0.197 0.000 0.994 56 G CA 0.515 45.729 45.100 0.191 0.000 0.698 56 G HN 0.556 nan 8.290 nan 0.000 0.521 57 S N -0.568 115.310 115.700 0.296 0.000 2.809 57 S HA 0.376 4.831 4.470 -0.024 0.000 0.248 57 S C 0.291 174.967 174.600 0.126 0.000 1.071 57 S CA -0.365 57.971 58.200 0.227 0.000 1.059 57 S CB 0.674 64.031 63.200 0.263 0.000 0.923 57 S HN 0.706 nan 8.310 nan 0.000 0.516 58 L N 3.248 124.458 121.223 -0.023 0.000 2.540 58 L HA 0.298 4.623 4.340 -0.024 0.000 0.276 58 L C 0.127 176.830 176.870 -0.278 0.000 1.212 58 L CA 1.282 55.866 54.840 -0.428 0.000 0.893 58 L CB 0.149 42.007 42.059 -0.336 0.000 1.138 58 L HN 0.352 nan 8.230 nan 0.000 0.491 59 E N 4.799 124.785 120.200 -0.356 0.000 2.647 59 E HA 0.262 4.598 4.350 -0.024 0.000 0.320 59 E C -1.518 174.924 176.600 -0.264 0.000 0.951 59 E CA -0.497 55.767 56.400 -0.226 0.000 0.809 59 E CB 0.782 30.451 29.700 -0.052 0.000 1.295 59 E HN 0.626 nan 8.360 nan 0.000 0.407 60 I N 3.835 124.183 120.570 -0.370 0.000 2.352 60 I HA 0.223 4.378 4.170 -0.024 0.000 0.290 60 I C -0.202 175.758 176.117 -0.261 0.000 1.036 60 I CA -0.229 60.837 61.300 -0.390 0.000 1.336 60 I CB 0.729 38.398 38.000 -0.552 0.000 1.407 60 I HN 0.340 nan 8.210 nan 0.000 0.497 61 D N 6.478 126.789 120.400 -0.148 0.000 2.168 61 D HA 0.424 5.050 4.640 -0.024 0.000 0.246 61 D C -0.711 175.494 176.300 -0.157 0.000 1.050 61 D CA -0.173 53.782 54.000 -0.076 0.000 0.857 61 D CB 2.926 43.765 40.800 0.066 0.000 1.169 61 D HN 0.082 nan 8.370 nan 0.000 0.453 62 V N 3.514 123.355 119.914 -0.121 0.000 2.462 62 V HA 0.233 4.339 4.120 -0.024 0.000 0.288 62 V C -0.806 175.344 176.094 0.094 0.000 1.020 62 V CA -0.761 61.435 62.300 -0.174 0.000 0.857 62 V CB 0.935 32.463 31.823 -0.491 0.000 1.013 62 V HN 0.329 nan 8.190 nan 0.000 0.431 63 F N 4.809 124.687 119.950 -0.120 0.000 2.404 63 F HA 0.574 5.087 4.527 -0.023 0.000 0.345 63 F C 0.329 176.101 175.800 -0.047 0.000 1.110 63 F CA -1.029 56.924 58.000 -0.078 0.000 1.130 63 F CB 1.334 40.283 39.000 -0.084 0.000 1.129 63 F HN 0.226 nan 8.300 nan 0.000 0.500 64 L N 4.868 126.116 121.223 0.042 0.000 2.292 64 L HA 0.343 4.669 4.340 -0.024 0.000 0.284 64 L C -0.808 175.964 176.870 -0.162 0.000 1.065 64 L CA -0.935 53.857 54.840 -0.081 0.000 0.806 64 L CB 0.875 42.889 42.059 -0.074 0.000 1.175 64 L HN 0.285 nan 8.230 nan 0.000 0.431 65 L N 4.479 125.512 121.223 -0.316 0.000 2.255 65 L HA 0.431 4.757 4.340 -0.024 0.000 0.289 65 L C -0.398 176.141 176.870 -0.551 0.000 1.046 65 L CA 0.380 55.047 54.840 -0.288 0.000 0.816 65 L CB 0.212 42.160 42.059 -0.185 0.000 1.197 65 L HN 0.243 nan 8.230 nan 0.000 0.427 66 F N 3.922 123.682 119.950 -0.316 0.000 2.492 66 F HA 0.585 5.098 4.527 -0.024 0.000 0.327 66 F C -1.789 173.692 175.800 -0.531 0.000 1.079 66 F CA -2.467 55.190 58.000 -0.571 0.000 0.967 66 F CB 0.911 39.504 39.000 -0.678 0.000 1.169 66 F HN 0.340 nan 8.300 nan 0.000 0.472 67 P HA 0.036 nan 4.420 nan 0.000 0.267 67 P C 0.221 177.575 177.300 0.090 0.000 1.200 67 P CA 0.283 63.271 63.100 -0.186 0.000 0.772 67 P CB 0.564 32.168 31.700 -0.161 0.000 0.855 68 E N 1.578 121.921 120.200 0.237 0.000 2.097 68 E HA -0.274 4.062 4.350 -0.024 0.000 0.196 68 E C 1.262 178.121 176.600 0.431 0.000 1.000 68 E CA 1.569 58.218 56.400 0.415 0.000 0.804 68 E CB -0.263 29.563 29.700 0.210 0.000 0.740 68 E HN 0.563 nan 8.360 nan 0.000 0.454 69 E N 0.287 120.685 120.200 0.331 0.000 2.204 69 E HA -0.084 4.252 4.350 -0.024 0.000 0.194 69 E C 0.087 176.916 176.600 0.381 0.000 0.989 69 E CA 0.352 56.937 56.400 0.307 0.000 0.824 69 E CB -0.183 29.661 29.700 0.240 0.000 0.756 69 E HN 0.088 nan 8.360 nan 0.000 0.477 70 F N 1.770 121.794 119.950 0.123 0.000 2.629 70 F HA -0.055 4.458 4.527 -0.023 0.000 0.369 70 F C 1.396 177.229 175.800 0.055 0.000 1.125 70 F CA -0.525 57.490 58.000 0.026 0.000 1.330 70 F CB 0.148 39.094 39.000 -0.090 0.000 1.071 70 F HN -0.143 nan 8.300 nan 0.000 0.595 71 S N 2.874 118.635 115.700 0.101 0.000 2.608 71 S HA 0.225 4.681 4.470 -0.024 0.000 0.261 71 S C 1.033 175.672 174.600 0.065 0.000 1.314 71 S CA -0.647 57.601 58.200 0.080 0.000 0.992 71 S CB 0.977 64.174 63.200 -0.006 0.000 0.935 71 S HN 0.629 nan 8.310 nan 0.000 0.564 72 K N 0.498 120.949 120.400 0.086 0.000 2.001 72 K HA -0.112 4.193 4.320 -0.024 0.000 0.208 72 K C 2.174 178.754 176.600 -0.033 0.000 1.048 72 K CA 1.534 57.852 56.287 0.052 0.000 0.932 72 K CB -0.336 32.217 32.500 0.087 0.000 0.715 72 K HN 0.730 nan 8.250 nan 0.000 0.437 73 E N 1.571 121.759 120.200 -0.020 0.000 2.110 73 E HA -0.225 4.111 4.350 -0.024 0.000 0.193 73 E C 1.860 178.399 176.600 -0.101 0.000 0.988 73 E CA 1.403 57.777 56.400 -0.043 0.000 0.804 73 E CB -0.062 29.624 29.700 -0.023 0.000 0.745 73 E HN 0.193 nan 8.360 nan 0.000 0.458 74 E N -0.208 119.919 120.200 -0.122 0.000 2.085 74 E HA -0.158 4.178 4.350 -0.024 0.000 0.194 74 E C 1.793 178.221 176.600 -0.287 0.000 0.994 74 E CA 1.073 57.372 56.400 -0.168 0.000 0.801 74 E CB -0.449 29.140 29.700 -0.184 0.000 0.743 74 E HN 0.314 nan 8.360 nan 0.000 0.453 75 L N 0.463 121.444 121.223 -0.404 0.000 2.083 75 L HA -0.059 4.267 4.340 -0.024 0.000 0.209 75 L C 2.608 179.191 176.870 -0.478 0.000 1.083 75 L CA 1.613 55.995 54.840 -0.763 0.000 0.752 75 L CB -0.557 41.097 42.059 -0.676 0.000 0.899 75 L HN 0.116 nan 8.230 nan 0.000 0.433 76 R N -0.371 119.976 120.500 -0.254 0.000 2.057 76 R HA -0.132 4.194 4.340 -0.024 0.000 0.229 76 R C 2.170 178.396 176.300 -0.123 0.000 1.136 76 R CA 1.443 57.456 56.100 -0.144 0.000 0.952 76 R CB -0.053 30.206 30.300 -0.068 0.000 0.848 76 R HN 0.407 nan 8.270 nan 0.000 0.430 77 E N -0.242 119.889 120.200 -0.114 0.000 2.023 77 E HA -0.194 4.142 4.350 -0.024 0.000 0.196 77 E C 2.227 178.782 176.600 -0.075 0.000 1.003 77 E CA 1.068 57.419 56.400 -0.082 0.000 0.809 77 E CB -0.022 29.636 29.700 -0.070 0.000 0.755 77 E HN 0.138 nan 8.360 nan 0.000 0.449 78 R N 0.068 120.514 120.500 -0.090 0.000 2.092 78 R HA -0.062 4.264 4.340 -0.024 0.000 0.231 78 R C 2.351 178.677 176.300 0.043 0.000 1.119 78 R CA 1.201 57.300 56.100 -0.001 0.000 0.970 78 R CB -1.091 29.257 30.300 0.080 0.000 0.864 78 R HN 0.300 nan 8.270 nan 0.000 0.440 79 G N 1.245 110.022 108.800 -0.038 0.000 2.446 79 G HA2 -0.258 3.688 3.960 -0.024 0.000 0.217 79 G HA3 -0.258 3.688 3.960 -0.024 0.000 0.217 79 G C 1.576 176.468 174.900 -0.014 0.000 1.168 79 G CA 0.518 45.640 45.100 0.037 0.000 0.771 79 G HN 0.287 nan 8.290 nan 0.000 0.551 80 L N -0.181 121.005 121.223 -0.060 0.000 2.012 80 L HA -0.074 4.252 4.340 -0.024 0.000 0.210 80 L C 2.898 179.693 176.870 -0.125 0.000 1.073 80 L CA 1.932 56.716 54.840 -0.094 0.000 0.748 80 L CB -0.224 41.781 42.059 -0.091 0.000 0.891 80 L HN 0.199 nan 8.230 nan 0.000 0.431 81 E N 0.300 120.448 120.200 -0.086 0.000 2.038 81 E HA -0.245 4.091 4.350 -0.024 0.000 0.195 81 E C 1.996 178.545 176.600 -0.086 0.000 1.000 81 E CA 1.844 58.192 56.400 -0.087 0.000 0.803 81 E CB -0.277 29.400 29.700 -0.038 0.000 0.750 81 E HN 0.535 nan 8.360 nan 0.000 0.448 82 I N -0.429 120.119 120.570 -0.037 0.000 2.226 82 I HA -0.182 3.974 4.170 -0.024 0.000 0.245 82 I C 2.329 178.399 176.117 -0.077 0.000 1.100 82 I CA 1.207 62.487 61.300 -0.034 0.000 1.374 82 I CB -0.552 37.458 38.000 0.016 0.000 1.057 82 I HN 0.202 nan 8.210 nan 0.000 0.413 83 G N 0.719 109.465 108.800 -0.089 0.000 2.422 83 G HA2 -0.272 3.674 3.960 -0.024 0.000 0.218 83 G HA3 -0.272 3.674 3.960 -0.024 0.000 0.218 83 G C 1.709 176.507 174.900 -0.170 0.000 1.146 83 G CA 0.704 45.739 45.100 -0.110 0.000 0.769 83 G HN 0.298 nan 8.290 nan 0.000 0.547 84 K N 0.493 120.724 120.400 -0.283 0.000 2.002 84 K HA 0.017 4.323 4.320 -0.024 0.000 0.209 84 K C 2.826 179.281 176.600 -0.242 0.000 1.048 84 K CA 1.296 57.294 56.287 -0.481 0.000 0.930 84 K CB -0.331 31.826 32.500 -0.572 0.000 0.714 84 K HN 0.194 nan 8.250 nan 0.000 0.438 85 A N 0.463 123.188 122.820 -0.158 0.000 1.933 85 A HA -0.102 4.204 4.320 -0.024 0.000 0.218 85 A C 2.150 179.693 177.584 -0.068 0.000 1.175 85 A CA 1.648 53.631 52.037 -0.091 0.000 0.628 85 A CB -0.419 18.541 19.000 -0.066 0.000 0.814 85 A HN 0.206 nan 8.150 nan 0.000 0.444 86 V N 0.023 119.890 119.914 -0.078 0.000 2.788 86 V HA 0.064 4.169 4.120 -0.024 0.000 0.251 86 V C 0.858 176.911 176.094 -0.067 0.000 1.068 86 V CA 0.525 62.781 62.300 -0.074 0.000 1.090 86 V CB -0.599 31.166 31.823 -0.097 0.000 0.710 86 V HN 0.403 nan 8.190 nan 0.000 0.467 87 L N 0.192 121.381 121.223 -0.056 0.000 2.312 87 L HA 0.367 4.692 4.340 -0.024 0.000 0.281 87 L C 1.126 178.003 176.870 0.011 0.000 1.070 87 L CA -0.596 54.226 54.840 -0.031 0.000 0.805 87 L CB 0.846 42.900 42.059 -0.009 0.000 1.174 87 L HN 0.051 nan 8.230 nan 0.000 0.434 88 D N 1.093 121.491 120.400 -0.003 0.000 2.106 88 D HA -0.128 4.497 4.640 -0.024 0.000 0.191 88 D C 0.637 176.964 176.300 0.046 0.000 0.997 88 D CA 1.676 55.683 54.000 0.011 0.000 0.834 88 D CB 0.121 40.917 40.800 -0.008 0.000 0.956 88 D HN 0.614 nan 8.370 nan 0.000 0.448 89 S N -0.846 114.884 115.700 0.050 0.000 2.614 89 S HA 0.522 4.978 4.470 -0.024 0.000 0.288 89 S C -0.561 174.097 174.600 0.096 0.000 1.137 89 S CA -1.125 57.111 58.200 0.061 0.000 0.992 89 S CB 1.010 64.207 63.200 -0.005 0.000 1.026 89 S HN 0.309 nan 8.310 nan 0.000 0.486 90 Y N 0.210 120.498 120.300 -0.021 0.000 2.612 90 Y HA 0.838 5.373 4.550 -0.024 0.000 0.334 90 Y C 0.134 176.037 175.900 0.005 0.000 1.227 90 Y CA -0.898 57.192 58.100 -0.017 0.000 1.356 90 Y CB 0.878 39.320 38.460 -0.030 0.000 1.534 90 Y HN 0.798 nan 8.280 nan 0.000 0.576 91 E N 1.226 121.468 120.200 0.070 0.000 2.503 91 E HA 0.154 4.489 4.350 -0.024 0.000 0.304 91 E C -1.551 175.053 176.600 0.006 0.000 1.096 91 E CA -0.192 56.178 56.400 -0.050 0.000 0.621 91 E CB 0.211 29.893 29.700 -0.030 0.000 1.270 91 E HN 0.778 nan 8.360 nan 0.000 0.404 92 I N 2.741 123.323 120.570 0.020 0.000 3.115 92 I HA -0.137 4.019 4.170 -0.024 0.000 0.315 92 I C 0.874 176.795 176.117 -0.327 0.000 1.211 92 I CA 1.292 62.496 61.300 -0.160 0.000 1.453 92 I CB 0.150 38.064 38.000 -0.143 0.000 1.307 92 I HN 0.473 nan 8.210 nan 0.000 0.568 93 R N 4.087 124.146 120.500 -0.736 0.000 2.831 93 R HA 0.639 4.965 4.340 -0.024 0.000 0.266 93 R C -1.778 173.863 176.300 -1.098 0.000 1.051 93 R CA -0.927 54.705 56.100 -0.780 0.000 0.943 93 R CB 2.119 31.873 30.300 -0.911 0.000 1.228 93 R HN 0.342 nan 8.270 nan 0.000 0.467 94 Y N -0.856 119.234 120.300 -0.350 0.000 2.553 94 Y HA 0.720 5.256 4.550 -0.024 0.000 0.347 94 Y C -0.605 175.342 175.900 0.080 0.000 1.019 94 Y CA -0.982 57.053 58.100 -0.109 0.000 1.032 94 Y CB 2.681 41.104 38.460 -0.062 0.000 1.284 94 Y HN 0.743 nan 8.280 nan 0.000 0.466 95 A N 1.931 124.928 122.820 0.295 0.000 1.943 95 A HA 0.494 4.799 4.320 -0.024 0.000 0.293 95 A C 0.326 178.005 177.584 0.158 0.000 1.143 95 A CA 0.096 52.273 52.037 0.232 0.000 0.916 95 A CB -0.269 18.900 19.000 0.282 0.000 1.297 95 A HN 0.975 nan 8.150 nan 0.000 0.372 96 E N 0.447 120.681 120.200 0.057 0.000 5.150 96 E HA -0.311 4.025 4.350 -0.024 0.000 0.167 96 E C 0.003 176.362 176.600 -0.401 0.000 1.196 96 E CA 2.459 58.777 56.400 -0.136 0.000 2.189 96 E CB -1.177 28.484 29.700 -0.066 0.000 1.820 96 E HN 1.081 nan 8.360 nan 0.000 0.420 97 H N -0.705 118.450 119.070 0.142 0.000 2.996 97 H HA 0.463 5.005 4.556 -0.024 0.000 0.368 97 H C -2.634 172.753 175.328 0.098 0.000 1.185 97 H CA -1.520 54.597 56.048 0.115 0.000 1.160 97 H CB 1.934 31.744 29.762 0.080 0.000 1.820 97 H HN -0.048 nan 8.280 nan 0.000 0.547 98 P HA 0.060 nan 4.420 nan 0.000 0.271 98 P C -1.348 175.921 177.300 -0.051 0.000 1.233 98 P CA 0.083 63.065 63.100 -0.197 0.000 0.789 98 P CB 0.428 31.992 31.700 -0.227 0.000 0.951 99 Y N -2.232 117.915 120.300 -0.254 0.000 2.677 99 Y HA 0.635 5.171 4.550 -0.023 0.000 0.334 99 Y C -1.945 173.867 175.900 -0.146 0.000 1.196 99 Y CA -1.468 56.529 58.100 -0.173 0.000 1.059 99 Y CB 0.299 38.669 38.460 -0.149 0.000 1.315 99 Y HN 0.068 nan 8.280 nan 0.000 0.455 100 V N 3.673 123.688 119.914 0.168 0.000 2.483 100 V HA 0.437 4.543 4.120 -0.024 0.000 0.295 100 V C -0.604 175.634 176.094 0.241 0.000 1.035 100 V CA -0.382 61.977 62.300 0.099 0.000 0.896 100 V CB 1.161 32.999 31.823 0.024 0.000 0.986 100 V HN 0.982 nan 8.190 nan 0.000 0.447 101 H N 2.172 121.300 119.070 0.097 0.000 2.768 101 H HA 0.842 5.383 4.556 -0.024 0.000 0.371 101 H C -0.190 175.174 175.328 0.060 0.000 1.151 101 H CA 0.378 56.494 56.048 0.113 0.000 1.165 101 H CB 2.439 32.307 29.762 0.176 0.000 1.722 101 H HN 0.840 nan 8.280 nan 0.000 0.543 102 G N 1.675 110.201 108.800 -0.458 0.000 2.450 102 G HA2 0.386 4.332 3.960 -0.024 0.000 0.273 102 G HA3 0.386 4.332 3.960 -0.024 0.000 0.273 102 G C -1.843 172.911 174.900 -0.243 0.000 1.221 102 G CA -0.002 45.001 45.100 -0.162 0.000 0.900 102 G HN 0.533 nan 8.290 nan 0.000 0.483 103 V N -0.475 119.370 119.914 -0.115 0.000 2.876 103 V HA 0.785 4.891 4.120 -0.024 0.000 0.312 103 V C -0.667 175.371 176.094 -0.093 0.000 1.085 103 V CA -0.633 61.602 62.300 -0.107 0.000 0.945 103 V CB 1.918 33.709 31.823 -0.052 0.000 1.017 103 V HN 0.734 nan 8.190 nan 0.000 0.428 104 V N 2.908 122.758 119.914 -0.105 0.000 2.686 104 V HA 0.486 4.592 4.120 -0.024 0.000 0.306 104 V C 0.365 176.415 176.094 -0.073 0.000 1.065 104 V CA -1.151 61.097 62.300 -0.087 0.000 0.894 104 V CB 1.694 33.452 31.823 -0.108 0.000 1.004 104 V HN 0.917 nan 8.190 nan 0.000 0.424 105 K N 3.122 123.494 120.400 -0.048 0.000 3.034 105 K HA -0.268 4.037 4.320 -0.024 0.000 0.255 105 K C 0.966 177.544 176.600 -0.037 0.000 0.903 105 K CA 1.141 57.407 56.287 -0.035 0.000 0.667 105 K CB -1.186 31.296 32.500 -0.030 0.000 1.335 105 K HN 1.821 nan 8.250 nan 0.000 0.479 106 G N -1.760 107.016 108.800 -0.041 0.000 2.132 106 G HA2 -0.234 3.712 3.960 -0.024 0.000 0.234 106 G HA3 -0.234 3.712 3.960 -0.024 0.000 0.234 106 G C -0.134 174.735 174.900 -0.052 0.000 0.989 106 G CA 0.131 45.210 45.100 -0.036 0.000 0.676 106 G HN 1.074 nan 8.290 nan 0.000 0.522 107 V N -3.544 116.318 119.914 -0.088 0.000 2.962 107 V HA 0.876 4.982 4.120 -0.024 0.000 0.313 107 V C -0.089 175.916 176.094 -0.148 0.000 1.099 107 V CA -1.560 60.667 62.300 -0.122 0.000 0.971 107 V CB 2.108 33.820 31.823 -0.185 0.000 1.028 107 V HN 0.118 nan 8.190 nan 0.000 0.430 108 E N 2.033 122.151 120.200 -0.137 0.000 2.366 108 E HA 0.414 4.750 4.350 -0.024 0.000 0.266 108 E C -0.600 175.844 176.600 -0.260 0.000 1.015 108 E CA 0.215 56.532 56.400 -0.138 0.000 0.906 108 E CB 1.379 31.080 29.700 0.001 0.000 0.979 108 E HN 0.648 nan 8.360 nan 0.000 0.443 109 V N 3.643 123.300 119.914 -0.428 0.000 2.735 109 V HA 0.307 4.413 4.120 -0.024 0.000 0.310 109 V C -0.187 175.629 176.094 -0.463 0.000 1.061 109 V CA -0.868 61.191 62.300 -0.402 0.000 0.913 109 V CB 2.479 34.099 31.823 -0.340 0.000 1.005 109 V HN 0.534 nan 8.190 nan 0.000 0.428 110 D N 2.076 122.329 120.400 -0.245 0.000 2.505 110 D HA 0.556 5.182 4.640 -0.024 0.000 0.249 110 D C -1.276 174.925 176.300 -0.165 0.000 1.082 110 D CA -0.161 53.772 54.000 -0.111 0.000 0.839 110 D CB 2.805 43.558 40.800 -0.078 0.000 1.317 110 D HN 0.265 nan 8.370 nan 0.000 0.497 111 V N 2.942 122.792 119.914 -0.107 0.000 2.349 111 V HA 0.281 4.386 4.120 -0.024 0.000 0.284 111 V C -0.037 175.964 176.094 -0.155 0.000 1.014 111 V CA -0.669 61.545 62.300 -0.143 0.000 0.826 111 V CB 1.712 33.472 31.823 -0.104 0.000 1.009 111 V HN 0.273 nan 8.190 nan 0.000 0.431 112 V N 7.524 127.228 119.914 -0.350 0.000 2.495 112 V HA 0.519 4.625 4.120 -0.024 0.000 0.298 112 V C -2.483 173.380 176.094 -0.385 0.000 1.031 112 V CA -2.123 59.879 62.300 -0.496 0.000 0.871 112 V CB 2.419 33.577 31.823 -1.109 0.000 0.988 112 V HN 0.646 nan 8.190 nan 0.000 0.432 113 P HA 0.600 nan 4.420 nan 0.000 0.281 113 P C -1.054 176.205 177.300 -0.068 0.000 1.249 113 P CA -0.291 62.802 63.100 -0.011 0.000 0.810 113 P CB 0.850 32.513 31.700 -0.063 0.000 1.008 114 C N 0.224 119.565 119.300 0.069 0.000 3.303 114 C HA 0.502 4.948 4.460 -0.024 0.000 0.340 114 C C -1.494 173.568 174.990 0.120 0.000 1.274 114 C CA -1.028 58.056 59.018 0.110 0.000 1.234 114 C CB -0.046 27.809 27.740 0.191 0.000 1.532 114 C HN 0.409 nan 8.230 nan 0.000 0.483 115 Y N 1.645 121.976 120.300 0.053 0.000 2.436 115 Y HA 0.413 4.949 4.550 -0.024 0.000 0.343 115 Y C 1.068 176.963 175.900 -0.008 0.000 1.008 115 Y CA 0.225 58.349 58.100 0.040 0.000 1.241 115 Y CB 0.638 39.119 38.460 0.036 0.000 1.153 115 Y HN 0.775 nan 8.280 nan 0.000 0.521 116 K N 5.018 125.465 120.400 0.078 0.000 2.395 116 K HA 0.230 4.535 4.320 -0.024 0.000 0.283 116 K C -1.276 175.367 176.600 0.073 0.000 1.068 116 K CA 0.269 56.561 56.287 0.009 0.000 1.039 116 K CB -0.165 32.306 32.500 -0.049 0.000 0.924 116 K HN 0.726 nan 8.250 nan 0.000 0.468 117 L N 3.572 124.835 121.223 0.066 0.000 2.283 117 L HA 0.556 4.882 4.340 -0.024 0.000 0.259 117 L C -0.465 176.587 176.870 0.304 0.000 1.027 117 L CA -1.300 53.652 54.840 0.187 0.000 0.828 117 L CB 2.128 44.345 42.059 0.263 0.000 1.380 117 L HN 0.498 nan 8.230 nan 0.000 0.425 118 K N 2.336 122.900 120.400 0.274 0.000 2.613 118 K HA 0.412 4.718 4.320 -0.024 0.000 0.248 118 K C -1.562 175.114 176.600 0.127 0.000 0.959 118 K CA -0.469 55.954 56.287 0.227 0.000 0.855 118 K CB 1.803 34.380 32.500 0.129 0.000 1.143 118 K HN 0.518 nan 8.250 nan 0.000 0.437 119 E N 1.537 121.740 120.200 0.005 0.000 7.440 119 E HA -0.070 4.266 4.350 -0.024 0.000 0.195 119 E C -2.467 174.007 176.600 -0.211 0.000 0.906 119 E CA -0.138 56.187 56.400 -0.124 0.000 1.678 119 E CB -0.578 29.103 29.700 -0.032 0.000 0.896 119 E HN 0.267 nan 8.360 nan 0.000 0.268 120 P HA -0.194 nan 4.420 nan 0.000 0.223 120 P C 1.325 178.551 177.300 -0.122 0.000 1.140 120 P CA 1.288 64.097 63.100 -0.485 0.000 0.783 120 P CB 0.330 31.708 31.700 -0.536 0.000 0.759 121 K N -0.581 119.765 120.400 -0.089 0.000 2.305 121 K HA 0.035 4.341 4.320 -0.024 0.000 0.199 121 K C 1.547 178.144 176.600 -0.004 0.000 1.047 121 K CA 0.795 57.062 56.287 -0.033 0.000 0.976 121 K CB -0.566 31.914 32.500 -0.034 0.000 0.765 121 K HN -0.014 nan 8.250 nan 0.000 0.474 122 N N 0.621 119.329 118.700 0.013 0.000 2.515 122 N HA -0.017 4.708 4.740 -0.024 0.000 0.185 122 N C -0.091 175.425 175.510 0.010 0.000 1.109 122 N CA 0.272 53.331 53.050 0.016 0.000 0.903 122 N CB 0.010 38.517 38.487 0.034 0.000 0.969 122 N HN 0.223 nan 8.380 nan 0.000 0.450 123 I N 1.451 122.051 120.570 0.050 0.000 2.845 123 I HA -0.174 3.982 4.170 -0.024 0.000 0.296 123 I C 1.180 177.294 176.117 -0.005 0.000 1.216 123 I CA 0.883 62.214 61.300 0.052 0.000 1.438 123 I CB 0.550 38.611 38.000 0.101 0.000 1.342 123 I HN -0.038 nan 8.210 nan 0.000 0.577 124 K N 3.187 123.559 120.400 -0.047 0.000 2.412 124 K HA 0.211 4.517 4.320 -0.024 0.000 0.202 124 K C 0.093 176.714 176.600 0.034 0.000 1.102 124 K CA 0.045 56.298 56.287 -0.056 0.000 1.027 124 K CB 0.781 33.158 32.500 -0.205 0.000 0.931 124 K HN 0.592 nan 8.250 nan 0.000 0.557 125 S N -1.054 114.687 115.700 0.068 0.000 2.578 125 S HA 0.495 4.951 4.470 -0.024 0.000 0.272 125 S C 0.285 174.961 174.600 0.127 0.000 1.145 125 S CA -0.162 58.122 58.200 0.141 0.000 0.835 125 S CB 1.193 64.534 63.200 0.234 0.000 1.104 125 S HN 0.076 nan 8.310 nan 0.000 0.458 126 A N 2.324 125.224 122.820 0.135 0.000 1.893 126 A HA -0.202 4.104 4.320 -0.024 0.000 0.222 126 A C 2.277 179.930 177.584 0.115 0.000 1.309 126 A CA 3.561 55.663 52.037 0.109 0.000 0.681 126 A CB -2.183 16.887 19.000 0.117 0.000 0.842 126 A HN 1.875 nan 8.150 nan 0.000 0.468 127 V N -1.839 118.175 119.914 0.167 0.000 2.636 127 V HA -0.287 3.819 4.120 -0.024 0.000 0.258 127 V C 1.645 177.886 176.094 0.245 0.000 1.092 127 V CA 2.579 65.036 62.300 0.262 0.000 1.110 127 V CB -1.098 30.792 31.823 0.112 0.000 0.685 127 V HN 0.502 nan 8.190 nan 0.000 0.481 128 D N 1.529 122.012 120.400 0.137 0.000 2.149 128 D HA -0.122 4.503 4.640 -0.024 0.000 0.201 128 D C 2.376 178.659 176.300 -0.027 0.000 0.972 128 D CA 1.955 56.007 54.000 0.085 0.000 0.835 128 D CB -0.212 40.651 40.800 0.106 0.000 0.966 128 D HN 0.763 nan 8.370 nan 0.000 0.476 129 R N 0.380 120.860 120.500 -0.032 0.000 2.297 129 R HA 0.118 4.443 4.340 -0.024 0.000 0.197 129 R C 1.540 177.567 176.300 -0.456 0.000 0.943 129 R CA 0.601 56.628 56.100 -0.122 0.000 1.038 129 R CB -0.454 29.743 30.300 -0.170 0.000 0.957 129 R HN -0.161 nan 8.270 nan 0.000 0.484 130 T N 2.167 116.515 114.554 -0.343 0.000 2.684 130 T HA -0.051 4.285 4.350 -0.024 0.000 0.267 130 T C -0.956 173.493 174.700 -0.417 0.000 1.036 130 T CA 1.452 63.297 62.100 -0.425 0.000 1.148 130 T CB -0.800 67.777 68.868 -0.484 0.000 0.863 130 T HN 0.264 nan 8.240 nan 0.000 0.436 131 P HA -0.063 nan 4.420 nan 0.000 0.216 131 P C 1.110 178.299 177.300 -0.184 0.000 1.153 131 P CA 1.145 64.035 63.100 -0.349 0.000 0.858 131 P CB -0.225 31.214 31.700 -0.434 0.000 0.789 132 F N -1.383 118.538 119.950 -0.049 0.000 2.069 132 F HA -0.234 4.278 4.527 -0.024 0.000 0.298 132 F C 2.587 178.474 175.800 0.145 0.000 1.113 132 F CA 1.387 59.406 58.000 0.031 0.000 1.214 132 F CB -1.113 37.880 39.000 -0.012 0.000 0.978 132 F HN 0.105 nan 8.300 nan 0.000 0.474 133 H N -2.148 117.014 119.070 0.154 0.000 2.319 133 H HA -0.271 4.272 4.556 -0.023 0.000 0.297 133 H C 2.115 177.569 175.328 0.209 0.000 1.097 133 H CA 1.474 57.558 56.048 0.061 0.000 1.285 133 H CB -0.355 29.138 29.762 -0.447 0.000 1.368 133 H HN 0.245 nan 8.280 nan 0.000 0.495 134 H N 1.120 120.282 119.070 0.153 0.000 2.353 134 H HA -0.152 4.390 4.556 -0.024 0.000 0.298 134 H C 2.315 177.746 175.328 0.171 0.000 1.103 134 H CA 2.049 58.168 56.048 0.119 0.000 1.293 134 H CB 0.035 29.791 29.762 -0.010 0.000 1.372 134 H HN 0.109 nan 8.280 nan 0.000 0.501 135 K N -0.370 120.116 120.400 0.144 0.000 1.978 135 K HA -0.203 4.103 4.320 -0.024 0.000 0.214 135 K C 2.217 178.896 176.600 0.132 0.000 1.049 135 K CA 1.903 58.249 56.287 0.098 0.000 0.939 135 K CB -1.099 31.543 32.500 0.236 0.000 0.721 135 K HN 0.446 nan 8.250 nan 0.000 0.441 136 W N 0.144 121.508 121.300 0.107 0.000 2.308 136 W HA -0.223 4.422 4.660 -0.026 0.000 0.301 136 W C 1.521 178.088 176.519 0.080 0.000 1.220 136 W CA 1.350 58.761 57.345 0.108 0.000 1.240 136 W CB -0.142 29.422 29.460 0.174 0.000 1.142 136 W HN 0.213 nan 8.180 nan 0.000 0.521 137 L N 0.732 122.163 121.223 0.346 0.000 2.209 137 L HA -0.071 4.255 4.340 -0.024 0.000 0.207 137 L C 2.571 179.444 176.870 0.006 0.000 1.094 137 L CA 2.251 57.231 54.840 0.233 0.000 0.790 137 L CB -1.299 40.992 42.059 0.386 0.000 0.932 137 L HN 0.267 nan 8.230 nan 0.000 0.447 138 E N -1.454 118.673 120.200 -0.121 0.000 2.110 138 E HA -0.167 4.169 4.350 -0.024 0.000 0.193 138 E C 2.034 178.568 176.600 -0.110 0.000 0.988 138 E CA 1.303 57.612 56.400 -0.152 0.000 0.804 138 E CB -0.690 28.832 29.700 -0.297 0.000 0.745 138 E HN 0.382 nan 8.360 nan 0.000 0.458 139 G N 1.011 109.726 108.800 -0.142 0.000 2.408 139 G HA2 -0.168 3.778 3.960 -0.024 0.000 0.215 139 G HA3 -0.168 3.778 3.960 -0.024 0.000 0.215 139 G C 1.674 176.485 174.900 -0.149 0.000 1.156 139 G CA 0.340 45.357 45.100 -0.140 0.000 0.793 139 G HN 0.133 nan 8.290 nan 0.000 0.535 140 R N -0.880 119.499 120.500 -0.202 0.000 2.297 140 R HA 0.276 4.602 4.340 -0.024 0.000 0.197 140 R C 1.387 177.644 176.300 -0.072 0.000 0.943 140 R CA 0.041 56.027 56.100 -0.189 0.000 1.038 140 R CB 0.125 30.201 30.300 -0.374 0.000 0.957 140 R HN 0.337 nan 8.270 nan 0.000 0.484 141 I N 0.525 121.079 120.570 -0.026 0.000 4.018 141 I HA 0.077 4.232 4.170 -0.024 0.000 0.337 141 I C 0.003 176.130 176.117 0.016 0.000 1.327 141 I CA -0.144 61.173 61.300 0.029 0.000 1.100 141 I CB 0.203 38.253 38.000 0.083 0.000 1.025 141 I HN -0.222 nan 8.210 nan 0.000 0.396 142 K N 0.412 120.806 120.400 -0.010 0.000 2.412 142 K HA 0.398 4.704 4.320 -0.024 0.000 0.281 142 K C 1.229 177.823 176.600 -0.010 0.000 1.027 142 K CA 1.088 57.368 56.287 -0.011 0.000 0.989 142 K CB 0.127 32.612 32.500 -0.025 0.000 0.935 142 K HN 0.317 nan 8.250 nan 0.000 0.475 143 G N 3.275 112.069 108.800 -0.010 0.000 2.176 143 G HA2 -0.274 3.672 3.960 -0.024 0.000 0.253 143 G HA3 -0.274 3.672 3.960 -0.024 0.000 0.253 143 G C 0.413 175.311 174.900 -0.003 0.000 0.979 143 G CA 0.532 45.626 45.100 -0.011 0.000 0.641 143 G HN 0.660 nan 8.290 nan 0.000 0.530 144 K N 0.150 120.555 120.400 0.008 0.000 2.477 144 K HA 0.127 4.432 4.320 -0.024 0.000 0.208 144 K C 1.880 178.494 176.600 0.023 0.000 1.117 144 K CA 0.311 56.612 56.287 0.024 0.000 1.039 144 K CB 0.427 32.955 32.500 0.047 0.000 0.937 144 K HN 0.442 nan 8.250 nan 0.000 0.570 145 E N 1.312 121.514 120.200 0.005 0.000 2.108 145 E HA -0.275 4.060 4.350 -0.024 0.000 0.203 145 E C 0.953 177.533 176.600 -0.034 0.000 1.022 145 E CA 1.671 58.065 56.400 -0.009 0.000 0.823 145 E CB -0.556 29.119 29.700 -0.042 0.000 0.744 145 E HN 0.192 nan 8.360 nan 0.000 0.456 146 N N 0.794 119.464 118.700 -0.051 0.000 2.289 146 N HA -0.103 4.622 4.740 -0.024 0.000 0.184 146 N C 1.608 177.087 175.510 -0.051 0.000 1.016 146 N CA 1.108 54.114 53.050 -0.074 0.000 0.872 146 N CB 0.004 38.445 38.487 -0.076 0.000 0.973 146 N HN 0.221 nan 8.380 nan 0.000 0.433 147 E N -0.193 120.009 120.200 0.003 0.000 2.216 147 E HA 0.009 4.345 4.350 -0.024 0.000 0.192 147 E C 1.866 178.511 176.600 0.075 0.000 0.988 147 E CA 0.292 56.726 56.400 0.057 0.000 0.834 147 E CB -0.095 29.668 29.700 0.106 0.000 0.772 147 E HN 0.171 nan 8.360 nan 0.000 0.479 148 V N 1.270 121.221 119.914 0.061 0.000 2.427 148 V HA -0.224 3.882 4.120 -0.024 0.000 0.248 148 V C 2.305 178.413 176.094 0.024 0.000 1.051 148 V CA 1.650 63.999 62.300 0.082 0.000 1.048 148 V CB -0.339 31.539 31.823 0.092 0.000 0.666 148 V HN 0.152 nan 8.190 nan 0.000 0.456 149 R N -0.573 119.902 120.500 -0.042 0.000 2.090 149 R HA 0.017 4.342 4.340 -0.024 0.000 0.228 149 R C 2.278 178.497 176.300 -0.135 0.000 1.110 149 R CA 1.024 57.066 56.100 -0.096 0.000 0.973 149 R CB -0.339 29.880 30.300 -0.135 0.000 0.869 149 R HN 0.383 nan 8.270 nan 0.000 0.440 150 L N 0.413 121.517 121.223 -0.197 0.000 2.012 150 L HA -0.223 4.103 4.340 -0.024 0.000 0.210 150 L C 2.343 178.943 176.870 -0.450 0.000 1.073 150 L CA 0.987 55.591 54.840 -0.392 0.000 0.748 150 L CB -0.439 41.223 42.059 -0.660 0.000 0.891 150 L HN 0.206 nan 8.230 nan 0.000 0.431 151 L N -0.133 120.961 121.223 -0.215 0.000 2.046 151 L HA -0.225 4.101 4.340 -0.024 0.000 0.208 151 L C 2.477 179.383 176.870 0.059 0.000 1.077 151 L CA 1.831 56.765 54.840 0.157 0.000 0.747 151 L CB -0.455 41.801 42.059 0.328 0.000 0.896 151 L HN 0.103 nan 8.230 nan 0.000 0.432 152 K N -0.851 119.507 120.400 -0.070 0.000 2.062 152 K HA -0.026 4.279 4.320 -0.024 0.000 0.205 152 K C 2.017 178.450 176.600 -0.277 0.000 1.051 152 K CA 1.093 57.199 56.287 -0.301 0.000 0.941 152 K CB -0.684 31.575 32.500 -0.401 0.000 0.719 152 K HN 0.515 nan 8.250 nan 0.000 0.440 153 G N 0.886 109.609 108.800 -0.127 0.000 2.432 153 G HA2 -0.262 3.684 3.960 -0.024 0.000 0.219 153 G HA3 -0.262 3.684 3.960 -0.024 0.000 0.219 153 G C 1.306 176.224 174.900 0.029 0.000 1.135 153 G CA 0.386 45.475 45.100 -0.018 0.000 0.767 153 G HN 0.192 nan 8.290 nan 0.000 0.550 154 F N 1.040 120.877 119.950 -0.188 0.000 2.098 154 F HA 0.109 4.623 4.527 -0.021 0.000 0.294 154 F C 2.504 178.205 175.800 -0.165 0.000 1.107 154 F CA 1.078 58.871 58.000 -0.344 0.000 1.234 154 F CB -0.288 38.543 39.000 -0.281 0.000 1.002 154 F HN 0.034 nan 8.300 nan 0.000 0.472 155 L N 0.278 121.493 121.223 -0.013 0.000 2.046 155 L HA -0.241 4.085 4.340 -0.024 0.000 0.208 155 L C 2.492 179.333 176.870 -0.049 0.000 1.077 155 L CA 1.894 56.687 54.840 -0.078 0.000 0.747 155 L CB -0.762 41.264 42.059 -0.054 0.000 0.896 155 L HN 0.114 nan 8.230 nan 0.000 0.432 156 K N 0.270 120.638 120.400 -0.054 0.000 2.057 156 K HA -0.144 4.162 4.320 -0.024 0.000 0.206 156 K C 2.161 178.735 176.600 -0.044 0.000 1.050 156 K CA 1.193 57.486 56.287 0.011 0.000 0.935 156 K CB -0.113 32.365 32.500 -0.038 0.000 0.715 156 K HN 0.249 nan 8.250 nan 0.000 0.439 157 A N 1.271 124.023 122.820 -0.113 0.000 1.972 157 A HA -0.123 4.183 4.320 -0.024 0.000 0.219 157 A C 1.150 178.634 177.584 -0.167 0.000 1.169 157 A CA 1.514 53.470 52.037 -0.135 0.000 0.635 157 A CB -0.341 18.558 19.000 -0.168 0.000 0.810 157 A HN 0.405 nan 8.150 nan 0.000 0.446 158 N N 0.031 118.600 118.700 -0.217 0.000 2.455 158 N HA 0.208 4.934 4.740 -0.024 0.000 0.258 158 N C 0.702 176.166 175.510 -0.076 0.000 1.158 158 N CA 0.632 53.572 53.050 -0.182 0.000 0.893 158 N CB 0.199 38.521 38.487 -0.275 0.000 1.173 158 N HN 0.509 nan 8.380 nan 0.000 0.503 159 G N 2.091 110.866 108.800 -0.042 0.000 2.441 159 G HA2 -0.247 3.699 3.960 -0.024 0.000 0.298 159 G HA3 -0.247 3.699 3.960 -0.024 0.000 0.298 159 G C 0.563 175.488 174.900 0.041 0.000 0.949 159 G CA 0.743 45.846 45.100 0.006 0.000 1.072 159 G HN 0.666 nan 8.290 nan 0.000 0.512 160 I N -4.805 115.813 120.570 0.079 0.000 3.554 160 I HA 0.344 4.499 4.170 -0.024 0.000 0.321 160 I C 1.207 177.456 176.117 0.220 0.000 1.484 160 I CA -0.944 60.437 61.300 0.136 0.000 0.975 160 I CB -0.366 37.736 38.000 0.170 0.000 1.528 160 I HN 0.028 nan 8.210 nan 0.000 0.609 161 Y N 3.229 123.560 120.300 0.052 0.000 2.144 161 Y HA 0.406 4.941 4.550 -0.024 0.000 0.272 161 Y C 1.887 177.855 175.900 0.113 0.000 1.092 161 Y CA 1.147 59.289 58.100 0.071 0.000 1.080 161 Y CB -0.895 37.592 38.460 0.044 0.000 1.003 161 Y HN 0.192 nan 8.280 nan 0.000 0.477 162 G N -0.196 108.391 108.800 -0.355 0.000 2.707 162 G HA2 0.210 4.156 3.960 -0.024 0.000 0.231 162 G HA3 0.210 4.156 3.960 -0.024 0.000 0.231 162 G C 0.476 175.249 174.900 -0.211 0.000 1.246 162 G CA 0.151 45.002 45.100 -0.415 0.000 0.852 162 G HN 0.862 nan 8.290 nan 0.000 0.584 163 A N 0.495 123.193 122.820 -0.203 0.000 2.387 163 A HA 0.286 4.592 4.320 -0.024 0.000 0.234 163 A C 1.178 178.644 177.584 -0.196 0.000 1.253 163 A CA 0.186 52.122 52.037 -0.168 0.000 0.894 163 A CB -0.136 18.776 19.000 -0.146 0.000 0.963 163 A HN 0.746 nan 8.150 nan 0.000 0.508 164 E N -0.513 119.596 120.200 -0.152 0.000 2.392 164 E HA 0.015 4.351 4.350 -0.024 0.000 0.259 164 E C -0.113 176.413 176.600 -0.122 0.000 1.108 164 E CA -0.365 55.958 56.400 -0.129 0.000 0.916 164 E CB 0.194 29.869 29.700 -0.043 0.000 0.989 164 E HN 0.440 nan 8.360 nan 0.000 0.432 165 Y N 0.435 120.729 120.300 -0.009 0.000 2.384 165 Y HA -0.202 4.334 4.550 -0.023 0.000 0.289 165 Y C 2.565 178.449 175.900 -0.027 0.000 1.152 165 Y CA 1.756 59.863 58.100 0.011 0.000 1.258 165 Y CB -0.060 38.434 38.460 0.058 0.000 0.979 165 Y HN 0.538 nan 8.280 nan 0.000 0.549 166 K N -0.161 120.227 120.400 -0.019 0.000 2.365 166 K HA -0.067 4.239 4.320 -0.024 0.000 0.199 166 K C 0.999 177.497 176.600 -0.169 0.000 1.045 166 K CA 1.207 57.280 56.287 -0.357 0.000 0.962 166 K CB 0.193 32.325 32.500 -0.613 0.000 0.759 166 K HN 0.212 nan 8.250 nan 0.000 0.469 167 V N -0.808 119.065 119.914 -0.068 0.000 3.250 167 V HA 0.156 4.261 4.120 -0.024 0.000 0.240 167 V C 0.309 176.401 176.094 -0.004 0.000 1.275 167 V CA -0.237 62.044 62.300 -0.032 0.000 1.206 167 V CB -0.136 31.667 31.823 -0.034 0.000 0.976 167 V HN 0.238 nan 8.190 nan 0.000 0.467 168 R N 0.872 121.352 120.500 -0.033 0.000 3.264 168 R HA -0.164 4.161 4.340 -0.024 0.000 0.251 168 R C 0.647 176.914 176.300 -0.056 0.000 0.971 168 R CA 0.412 56.479 56.100 -0.055 0.000 0.658 168 R CB -1.571 28.736 30.300 0.013 0.000 1.095 168 R HN 0.691 nan 8.270 nan 0.000 0.443 169 G N -0.304 108.469 108.800 -0.044 0.000 3.194 169 G HA2 0.605 4.551 3.960 -0.024 0.000 0.160 169 G HA3 0.605 4.551 3.960 -0.024 0.000 0.160 169 G C -0.779 174.100 174.900 -0.035 0.000 1.267 169 G CA -0.618 44.517 45.100 0.058 0.000 0.962 169 G HN 0.072 nan 8.290 nan 0.000 0.612 170 F N 1.410 121.316 119.950 -0.072 0.000 2.411 170 F HA 0.481 4.993 4.527 -0.025 0.000 0.352 170 F C 1.049 176.788 175.800 -0.102 0.000 1.123 170 F CA -1.200 56.772 58.000 -0.048 0.000 1.044 170 F CB 1.636 40.643 39.000 0.011 0.000 1.135 170 F HN 0.366 nan 8.300 nan 0.000 0.461 171 S N 1.160 116.893 115.700 0.054 0.000 2.600 171 S HA 0.337 4.793 4.470 -0.024 0.000 0.265 171 S C 1.398 176.084 174.600 0.143 0.000 1.325 171 S CA -0.244 57.955 58.200 -0.002 0.000 1.002 171 S CB 1.238 64.462 63.200 0.040 0.000 0.921 171 S HN 0.841 nan 8.310 nan 0.000 0.554 172 G N 0.306 109.203 108.800 0.162 0.000 2.422 172 G HA2 -0.229 3.717 3.960 -0.024 0.000 0.218 172 G HA3 -0.229 3.717 3.960 -0.024 0.000 0.218 172 G C 1.133 176.228 174.900 0.326 0.000 1.146 172 G CA 0.966 46.272 45.100 0.343 0.000 0.769 172 G HN 0.844 nan 8.290 nan 0.000 0.547 173 Y N 1.075 121.456 120.300 0.135 0.000 2.165 173 Y HA -0.099 4.438 4.550 -0.022 0.000 0.286 173 Y C 2.433 178.385 175.900 0.087 0.000 1.155 173 Y CA 1.374 59.531 58.100 0.094 0.000 1.164 173 Y CB -0.591 37.882 38.460 0.021 0.000 0.978 173 Y HN 0.142 nan 8.280 nan 0.000 0.513 174 L N -0.114 121.129 121.223 0.034 0.000 2.042 174 L HA -0.221 4.105 4.340 -0.024 0.000 0.210 174 L C 2.380 179.309 176.870 0.098 0.000 1.076 174 L CA 2.015 56.829 54.840 -0.044 0.000 0.749 174 L CB -1.372 40.733 42.059 0.076 0.000 0.893 174 L HN 0.408 nan 8.230 nan 0.000 0.432 175 C N -0.095 119.335 119.300 0.217 0.000 2.429 175 C HA -0.146 4.300 4.460 -0.024 0.000 0.277 175 C C 2.580 177.692 174.990 0.204 0.000 1.262 175 C CA 1.092 60.257 59.018 0.245 0.000 1.733 175 C CB -0.988 26.918 27.740 0.277 0.000 2.010 175 C HN 0.606 nan 8.230 nan 0.000 0.483 176 E N 0.618 120.926 120.200 0.180 0.000 2.072 176 E HA -0.141 4.194 4.350 -0.024 0.000 0.191 176 E C 2.092 178.781 176.600 0.148 0.000 0.985 176 E CA 0.950 57.459 56.400 0.181 0.000 0.801 176 E CB -0.245 29.592 29.700 0.228 0.000 0.750 176 E HN 0.627 nan 8.360 nan 0.000 0.452 177 L N 0.785 122.009 121.223 0.003 0.000 2.079 177 L HA -0.213 4.113 4.340 -0.024 0.000 0.210 177 L C 2.471 179.412 176.870 0.118 0.000 1.081 177 L CA 0.914 55.740 54.840 -0.023 0.000 0.752 177 L CB -0.409 41.444 42.059 -0.344 0.000 0.896 177 L HN 0.184 nan 8.230 nan 0.000 0.433 178 L N -0.776 120.551 121.223 0.173 0.000 2.201 178 L HA -0.196 4.130 4.340 -0.024 0.000 0.212 178 L C 2.468 179.582 176.870 0.405 0.000 1.105 178 L CA 0.651 55.694 54.840 0.338 0.000 0.775 178 L CB -0.231 42.103 42.059 0.457 0.000 0.913 178 L HN 0.247 nan 8.230 nan 0.000 0.440 179 I N -0.948 119.804 120.570 0.303 0.000 2.233 179 I HA -0.178 3.978 4.170 -0.024 0.000 0.243 179 I C 2.559 178.818 176.117 0.235 0.000 1.093 179 I CA 1.116 62.579 61.300 0.272 0.000 1.380 179 I CB -0.880 37.245 38.000 0.208 0.000 1.067 179 I HN 0.009 nan 8.210 nan 0.000 0.413 180 V N 0.844 120.890 119.914 0.220 0.000 2.380 180 V HA -0.315 3.791 4.120 -0.024 0.000 0.251 180 V C 2.380 178.585 176.094 0.184 0.000 1.063 180 V CA 1.959 64.373 62.300 0.189 0.000 1.055 180 V CB -0.749 31.227 31.823 0.256 0.000 0.657 180 V HN 0.299 nan 8.190 nan 0.000 0.455 181 F N -0.786 119.190 119.950 0.044 0.000 2.187 181 F HA -0.092 4.419 4.527 -0.026 0.000 0.295 181 F C 2.019 177.721 175.800 -0.162 0.000 1.091 181 F CA 1.507 59.444 58.000 -0.104 0.000 1.308 181 F CB -0.057 38.787 39.000 -0.259 0.000 1.030 181 F HN 0.170 nan 8.300 nan 0.000 0.487 182 Y N -0.348 120.106 120.300 0.256 0.000 2.497 182 Y HA 0.318 4.855 4.550 -0.021 0.000 0.265 182 Y C 2.079 178.008 175.900 0.047 0.000 1.111 182 Y CA 0.351 58.529 58.100 0.130 0.000 1.288 182 Y CB 0.154 38.748 38.460 0.224 0.000 1.082 182 Y HN 0.211 nan 8.280 nan 0.000 0.536 183 G N -0.147 108.774 108.800 0.201 0.000 2.317 183 G HA2 -0.256 3.689 3.960 -0.024 0.000 0.227 183 G HA3 -0.256 3.689 3.960 -0.024 0.000 0.227 183 G C 0.386 175.360 174.900 0.122 0.000 1.042 183 G CA 0.375 45.547 45.100 0.120 0.000 0.623 183 G HN 0.734 nan 8.290 nan 0.000 0.509 184 S N -1.609 114.181 115.700 0.149 0.000 2.636 184 S HA 0.635 5.091 4.470 -0.024 0.000 0.268 184 S C 0.388 175.073 174.600 0.142 0.000 1.159 184 S CA 0.348 58.629 58.200 0.134 0.000 0.815 184 S CB 0.833 64.088 63.200 0.092 0.000 1.130 184 S HN 1.193 nan 8.310 nan 0.000 0.471 185 F N 0.831 120.782 119.950 0.002 0.000 2.069 185 F HA -0.027 4.489 4.527 -0.017 0.000 0.298 185 F C 1.967 177.694 175.800 -0.121 0.000 1.113 185 F CA 1.912 59.879 58.000 -0.055 0.000 1.214 185 F CB -0.246 38.713 39.000 -0.069 0.000 0.978 185 F HN 0.555 nan 8.300 nan 0.000 0.474 186 L N 1.055 122.185 121.223 -0.155 0.000 2.013 186 L HA -0.238 4.088 4.340 -0.024 0.000 0.212 186 L C 2.317 178.999 176.870 -0.314 0.000 1.073 186 L CA 1.920 56.604 54.840 -0.261 0.000 0.753 186 L CB -1.081 40.952 42.059 -0.043 0.000 0.890 186 L HN 0.153 nan 8.230 nan 0.000 0.432 187 E N -0.951 119.135 120.200 -0.190 0.000 2.153 187 E HA -0.162 4.174 4.350 -0.024 0.000 0.194 187 E C 2.099 178.431 176.600 -0.448 0.000 0.988 187 E CA 1.573 57.851 56.400 -0.203 0.000 0.811 187 E CB -0.421 29.267 29.700 -0.021 0.000 0.746 187 E HN 0.544 nan 8.360 nan 0.000 0.466 188 T N 0.812 115.111 114.554 -0.424 0.000 2.777 188 T HA -0.069 4.266 4.350 -0.024 0.000 0.266 188 T C 2.113 176.381 174.700 -0.719 0.000 1.040 188 T CA 1.017 62.781 62.100 -0.561 0.000 1.141 188 T CB -0.115 68.682 68.868 -0.118 0.000 0.868 188 T HN -0.024 nan 8.240 nan 0.000 0.444 189 V N 1.293 120.734 119.914 -0.788 0.000 2.427 189 V HA -0.128 3.978 4.120 -0.024 0.000 0.248 189 V C 2.423 178.115 176.094 -0.669 0.000 1.051 189 V CA 1.512 63.292 62.300 -0.866 0.000 1.048 189 V CB -0.423 30.757 31.823 -1.073 0.000 0.666 189 V HN 0.437 nan 8.190 nan 0.000 0.456 190 K N 0.114 120.194 120.400 -0.533 0.000 2.025 190 K HA -0.116 4.190 4.320 -0.024 0.000 0.207 190 K C 2.026 178.383 176.600 -0.405 0.000 1.049 190 K CA 1.513 57.567 56.287 -0.388 0.000 0.933 190 K CB -0.239 32.096 32.500 -0.274 0.000 0.714 190 K HN 0.459 nan 8.250 nan 0.000 0.438 191 N N 0.662 119.053 118.700 -0.516 0.000 2.270 191 N HA -0.080 4.645 4.740 -0.024 0.000 0.181 191 N C 1.735 176.877 175.510 -0.615 0.000 1.016 191 N CA 0.885 53.676 53.050 -0.433 0.000 0.870 191 N CB 0.002 38.212 38.487 -0.463 0.000 0.979 191 N HN 0.142 nan 8.380 nan 0.000 0.431 192 A N 1.933 124.125 122.820 -1.048 0.000 2.024 192 A HA -0.130 4.176 4.320 -0.024 0.000 0.220 192 A C 2.149 179.260 177.584 -0.789 0.000 1.164 192 A CA 0.953 52.015 52.037 -1.625 0.000 0.643 192 A CB -0.419 17.637 19.000 -1.573 0.000 0.806 192 A HN 0.249 nan 8.150 nan 0.000 0.451 193 R N -0.747 119.438 120.500 -0.525 0.000 2.159 193 R HA -0.092 4.234 4.340 -0.024 0.000 0.237 193 R C 1.529 177.760 176.300 -0.115 0.000 1.131 193 R CA 1.443 57.372 56.100 -0.285 0.000 0.982 193 R CB -0.190 29.964 30.300 -0.244 0.000 0.868 193 R HN 0.481 nan 8.270 nan 0.000 0.453 194 R N -0.921 119.539 120.500 -0.067 0.000 2.359 194 R HA 0.045 4.371 4.340 -0.024 0.000 0.231 194 R C -0.386 176.077 176.300 0.270 0.000 0.913 194 R CA -0.395 55.758 56.100 0.087 0.000 1.075 194 R CB 0.277 30.633 30.300 0.093 0.000 1.087 194 R HN 0.021 nan 8.270 nan 0.000 0.515 195 W N 1.976 123.344 121.300 0.114 0.000 2.158 195 W HA 0.088 4.737 4.660 -0.018 0.000 0.339 195 W C 1.148 177.756 176.519 0.149 0.000 1.294 195 W CA -0.390 57.068 57.345 0.189 0.000 1.231 195 W CB 0.498 30.115 29.460 0.261 0.000 1.143 195 W HN -0.049 nan 8.180 nan 0.000 0.571 196 T N -0.750 114.032 114.554 0.380 0.000 2.888 196 T HA 0.439 4.775 4.350 -0.024 0.000 0.288 196 T C 0.932 175.769 174.700 0.228 0.000 1.063 196 T CA -0.945 61.300 62.100 0.241 0.000 1.010 196 T CB 1.688 70.662 68.868 0.176 0.000 1.214 196 T HN 0.535 nan 8.240 nan 0.000 0.533 197 R N -0.149 120.445 120.500 0.158 0.000 2.316 197 R HA 0.129 4.454 4.340 -0.024 0.000 0.202 197 R C 0.671 177.067 176.300 0.161 0.000 1.029 197 R CA 0.219 56.404 56.100 0.142 0.000 1.018 197 R CB -0.070 30.285 30.300 0.092 0.000 0.888 197 R HN 0.246 nan 8.270 nan 0.000 0.471 198 R N 1.129 121.716 120.500 0.145 0.000 2.613 198 R HA 0.205 4.531 4.340 -0.024 0.000 0.361 198 R C -0.600 175.750 176.300 0.083 0.000 1.072 198 R CA -0.040 56.123 56.100 0.104 0.000 1.089 198 R CB 0.969 31.313 30.300 0.074 0.000 1.343 198 R HN 0.059 nan 8.270 nan 0.000 0.571 199 T N 0.903 115.529 114.554 0.120 0.000 2.817 199 T HA 0.356 4.692 4.350 -0.024 0.000 0.293 199 T C 0.103 174.667 174.700 -0.226 0.000 0.964 199 T CA -0.175 61.930 62.100 0.010 0.000 1.085 199 T CB 2.111 71.025 68.868 0.077 0.000 0.921 199 T HN -0.219 nan 8.240 nan 0.000 0.502 200 V N 5.278 125.061 119.914 -0.218 0.000 2.378 200 V HA 0.431 4.537 4.120 -0.024 0.000 0.288 200 V C -0.067 175.825 176.094 -0.337 0.000 1.016 200 V CA -0.779 61.348 62.300 -0.288 0.000 0.840 200 V CB 1.109 32.816 31.823 -0.193 0.000 0.994 200 V HN 0.807 nan 8.190 nan 0.000 0.431 201 I N 4.220 124.488 120.570 -0.504 0.000 2.307 201 I HA 0.370 4.526 4.170 -0.024 0.000 0.289 201 I C -0.433 175.407 176.117 -0.461 0.000 1.021 201 I CA -0.061 60.889 61.300 -0.584 0.000 1.224 201 I CB 1.275 38.788 38.000 -0.812 0.000 1.376 201 I HN 0.525 nan 8.210 nan 0.000 0.470 202 D N 6.425 126.632 120.400 -0.321 0.000 2.441 202 D HA 0.187 4.812 4.640 -0.024 0.000 0.231 202 D C 0.835 177.110 176.300 -0.043 0.000 1.073 202 D CA -0.445 53.452 54.000 -0.172 0.000 0.850 202 D CB 1.922 42.662 40.800 -0.100 0.000 1.062 202 D HN 0.354 nan 8.370 nan 0.000 0.524 203 V N 2.833 122.722 119.914 -0.042 0.000 2.488 203 V HA 0.019 4.125 4.120 -0.024 0.000 0.246 203 V C 2.244 178.469 176.094 0.219 0.000 1.046 203 V CA 1.322 63.752 62.300 0.218 0.000 1.053 203 V CB -0.986 30.952 31.823 0.192 0.000 0.679 203 V HN 0.458 nan 8.190 nan 0.000 0.458 204 A N 0.810 123.688 122.820 0.097 0.000 1.908 204 A HA -0.195 4.110 4.320 -0.024 0.000 0.218 204 A C 2.290 179.950 177.584 0.127 0.000 1.181 204 A CA 2.293 54.416 52.037 0.143 0.000 0.627 204 A CB -0.530 18.491 19.000 0.037 0.000 0.818 204 A HN 0.616 nan 8.150 nan 0.000 0.445 205 K N -1.509 118.941 120.400 0.083 0.000 2.404 205 K HA 0.231 4.536 4.320 -0.024 0.000 0.194 205 K C 0.838 177.496 176.600 0.097 0.000 1.023 205 K CA 0.412 56.740 56.287 0.069 0.000 1.094 205 K CB 0.023 32.542 32.500 0.032 0.000 0.841 205 K HN 0.634 nan 8.250 nan 0.000 0.523 206 G N 2.979 111.879 108.800 0.166 0.000 2.323 206 G HA2 -0.300 3.646 3.960 -0.024 0.000 0.292 206 G HA3 -0.300 3.646 3.960 -0.024 0.000 0.292 206 G C -0.393 174.638 174.900 0.218 0.000 1.040 206 G CA 0.689 45.904 45.100 0.191 0.000 0.942 206 G HN 0.454 nan 8.290 nan 0.000 0.506 207 E N -1.011 119.361 120.200 0.287 0.000 2.340 207 E HA 0.623 4.959 4.350 -0.024 0.000 0.273 207 E C -0.892 175.811 176.600 0.171 0.000 0.891 207 E CA -0.966 55.555 56.400 0.203 0.000 0.757 207 E CB 2.322 32.072 29.700 0.083 0.000 1.231 207 E HN 0.174 nan 8.360 nan 0.000 0.439 208 V N 4.430 124.448 119.914 0.173 0.000 2.409 208 V HA 0.537 4.643 4.120 -0.024 0.000 0.291 208 V C -0.177 175.948 176.094 0.053 0.000 1.020 208 V CA -0.492 61.864 62.300 0.094 0.000 0.848 208 V CB 1.190 33.143 31.823 0.217 0.000 0.990 208 V HN 0.699 nan 8.190 nan 0.000 0.430 209 R N 3.263 123.758 120.500 -0.008 0.000 2.869 209 R HA 0.695 5.021 4.340 -0.024 0.000 0.263 209 R C -0.980 175.310 176.300 -0.016 0.000 1.066 209 R CA -1.136 54.960 56.100 -0.006 0.000 0.960 209 R CB 1.629 31.912 30.300 -0.029 0.000 1.221 209 R HN 0.288 nan 8.270 nan 0.000 0.474 210 K N 0.654 121.051 120.400 -0.004 0.000 2.248 210 K HA 0.415 4.721 4.320 -0.024 0.000 0.281 210 K C -0.748 175.841 176.600 -0.019 0.000 1.054 210 K CA -0.122 56.168 56.287 0.005 0.000 0.903 210 K CB 1.387 33.901 32.500 0.022 0.000 1.077 210 K HN 0.817 nan 8.250 nan 0.000 0.474 211 G N 2.041 110.828 108.800 -0.021 0.000 3.262 211 G HA2 0.126 4.071 3.960 -0.024 0.000 0.229 211 G HA3 0.126 4.071 3.960 -0.024 0.000 0.229 211 G C 0.078 174.977 174.900 -0.001 0.000 1.280 211 G CA -0.285 44.794 45.100 -0.036 0.000 0.951 211 G HN 0.558 nan 8.290 nan 0.000 0.589 212 E N -0.658 119.542 120.200 -0.001 0.000 2.371 212 E HA 0.157 4.493 4.350 -0.024 0.000 0.194 212 E C 0.533 177.169 176.600 0.061 0.000 1.012 212 E CA 0.924 57.340 56.400 0.027 0.000 0.860 212 E CB 0.059 29.772 29.700 0.021 0.000 0.811 212 E HN 0.607 nan 8.360 nan 0.000 0.502 213 E N -2.389 117.862 120.200 0.084 0.000 2.417 213 E HA 0.099 4.435 4.350 -0.024 0.000 0.280 213 E C -1.070 175.616 176.600 0.144 0.000 1.112 213 E CA -0.932 55.539 56.400 0.118 0.000 0.863 213 E CB -0.244 29.527 29.700 0.119 0.000 1.346 213 E HN -0.063 nan 8.360 nan 0.000 0.443 214 F N 1.746 121.685 119.950 -0.018 0.000 2.557 214 F HA 0.349 4.860 4.527 -0.027 0.000 0.384 214 F C -0.981 174.771 175.800 -0.079 0.000 1.057 214 F CA 0.346 58.292 58.000 -0.090 0.000 1.169 214 F CB 0.080 38.989 39.000 -0.152 0.000 1.070 214 F HN 0.412 nan 8.300 nan 0.000 0.554 215 F N 6.290 125.857 119.950 -0.638 0.000 2.579 215 F HA 0.485 4.997 4.527 -0.025 0.000 0.325 215 F C -1.479 173.929 175.800 -0.653 0.000 1.162 215 F CA -0.909 56.793 58.000 -0.496 0.000 0.946 215 F CB 1.198 40.026 39.000 -0.288 0.000 1.211 215 F HN 0.028 nan 8.300 nan 0.000 0.447 216 V N 7.277 126.912 119.914 -0.465 0.000 2.294 216 V HA 0.202 4.308 4.120 -0.024 0.000 0.272 216 V C -0.234 175.766 176.094 -0.158 0.000 1.027 216 V CA -0.762 61.299 62.300 -0.399 0.000 0.823 216 V CB 1.183 32.728 31.823 -0.463 0.000 1.030 216 V HN 0.542 nan 8.190 nan 0.000 0.457 217 V N 4.634 124.576 119.914 0.047 0.000 2.508 217 V HA 0.269 4.375 4.120 -0.024 0.000 0.281 217 V C 0.483 176.526 176.094 -0.085 0.000 1.041 217 V CA -0.238 62.142 62.300 0.134 0.000 1.016 217 V CB 1.346 33.208 31.823 0.065 0.000 0.984 217 V HN 0.878 nan 8.190 nan 0.000 0.478 218 D N 7.754 128.118 120.400 -0.059 0.000 2.472 218 D HA 0.122 4.748 4.640 -0.024 0.000 0.248 218 D C -1.575 174.592 176.300 -0.223 0.000 1.174 218 D CA -1.437 52.487 54.000 -0.127 0.000 0.883 218 D CB 1.807 42.619 40.800 0.021 0.000 1.149 218 D HN 0.455 nan 8.370 nan 0.000 0.488 219 P HA -0.149 nan 4.420 nan 0.000 0.218 219 P C 1.234 178.272 177.300 -0.436 0.000 1.146 219 P CA 0.643 63.308 63.100 -0.724 0.000 0.813 219 P CB 0.356 30.831 31.700 -2.042 0.000 0.778 220 V N -1.650 118.114 119.914 -0.250 0.000 3.235 220 V HA 0.037 4.142 4.120 -0.024 0.000 0.259 220 V C 0.732 176.805 176.094 -0.035 0.000 1.133 220 V CA 1.013 63.275 62.300 -0.064 0.000 1.128 220 V CB -0.498 31.403 31.823 0.130 0.000 0.757 220 V HN 0.117 nan 8.190 nan 0.000 0.469 221 D N 0.044 120.434 120.400 -0.016 0.000 2.319 221 D HA 0.117 4.742 4.640 -0.024 0.000 0.237 221 D C 0.711 177.019 176.300 0.013 0.000 1.353 221 D CA -0.196 53.807 54.000 0.005 0.000 0.992 221 D CB 1.165 41.992 40.800 0.046 0.000 1.368 221 D HN -0.017 nan 8.370 nan 0.000 0.564 222 E N 1.470 121.662 120.200 -0.014 0.000 2.448 222 E HA -0.158 4.177 4.350 -0.024 0.000 0.203 222 E C 1.090 177.697 176.600 0.013 0.000 1.046 222 E CA 0.727 57.114 56.400 -0.022 0.000 0.871 222 E CB 0.355 30.021 29.700 -0.056 0.000 0.790 222 E HN 0.393 nan 8.360 nan 0.000 0.545 223 K N -0.044 120.390 120.400 0.057 0.000 2.276 223 K HA 0.113 4.419 4.320 -0.024 0.000 0.198 223 K C 1.041 177.774 176.600 0.222 0.000 1.052 223 K CA 0.072 56.422 56.287 0.105 0.000 0.984 223 K CB 0.406 32.941 32.500 0.058 0.000 0.836 223 K HN -0.014 nan 8.250 nan 0.000 0.490 224 R N 2.247 122.841 120.500 0.156 0.000 2.539 224 R HA 0.076 4.402 4.340 -0.024 0.000 0.275 224 R C -0.055 176.269 176.300 0.040 0.000 1.077 224 R CA -0.121 56.038 56.100 0.097 0.000 1.097 224 R CB 0.417 30.765 30.300 0.080 0.000 1.018 224 R HN -0.002 nan 8.270 nan 0.000 0.483 225 N N 1.543 120.072 118.700 -0.284 0.000 2.479 225 N HA 0.064 4.790 4.740 -0.024 0.000 0.261 225 N C 0.642 175.887 175.510 -0.441 0.000 0.979 225 N CA -0.309 52.233 53.050 -0.847 0.000 0.930 225 N CB 1.431 38.886 38.487 -1.720 0.000 1.172 225 N HN 0.229 nan 8.380 nan 0.000 0.499 226 V N 2.585 122.305 119.914 -0.324 0.000 2.594 226 V HA -0.114 3.992 4.120 -0.024 0.000 0.253 226 V C 1.718 177.686 176.094 -0.210 0.000 1.069 226 V CA 2.142 64.324 62.300 -0.196 0.000 1.082 226 V CB -0.844 30.841 31.823 -0.230 0.000 0.680 226 V HN 0.805 nan 8.190 nan 0.000 0.469 227 A N -0.683 121.965 122.820 -0.287 0.000 2.460 227 A HA 0.593 4.898 4.320 -0.024 0.000 0.258 227 A C 2.116 179.565 177.584 -0.226 0.000 1.300 227 A CA 0.710 52.611 52.037 -0.226 0.000 0.913 227 A CB -0.270 18.674 19.000 -0.094 0.000 1.031 227 A HN 0.438 nan 8.150 nan 0.000 0.512 228 A N 1.118 123.772 122.820 -0.276 0.000 1.940 228 A HA -0.269 4.037 4.320 -0.024 0.000 0.221 228 A C 1.724 179.212 177.584 -0.161 0.000 1.190 228 A CA 2.160 54.055 52.037 -0.237 0.000 0.647 228 A CB -0.477 18.390 19.000 -0.222 0.000 0.821 228 A HN 0.564 nan 8.150 nan 0.000 0.457 229 N N -1.222 117.370 118.700 -0.181 0.000 2.276 229 N HA 0.158 4.884 4.740 -0.024 0.000 0.212 229 N C -0.222 175.178 175.510 -0.182 0.000 1.127 229 N CA -0.288 52.648 53.050 -0.191 0.000 0.834 229 N CB -0.297 38.003 38.487 -0.312 0.000 1.014 229 N HN 0.359 nan 8.380 nan 0.000 0.491 230 L N 1.453 122.557 121.223 -0.197 0.000 2.281 230 L HA 0.382 4.708 4.340 -0.024 0.000 0.285 230 L C 0.288 177.065 176.870 -0.156 0.000 1.074 230 L CA -0.401 54.292 54.840 -0.245 0.000 0.817 230 L CB 0.512 42.319 42.059 -0.421 0.000 1.168 230 L HN 0.178 nan 8.230 nan 0.000 0.434 231 S N 4.269 119.908 115.700 -0.101 0.000 2.585 231 S HA 0.131 4.586 4.470 -0.024 0.000 0.273 231 S C 1.083 175.651 174.600 -0.053 0.000 1.339 231 S CA -0.431 57.744 58.200 -0.042 0.000 1.028 231 S CB 0.878 64.081 63.200 0.004 0.000 0.906 231 S HN 0.797 nan 8.310 nan 0.000 0.528 232 L N 1.149 122.359 121.223 -0.022 0.000 2.042 232 L HA -0.071 4.254 4.340 -0.024 0.000 0.210 232 L C 1.688 178.557 176.870 -0.001 0.000 1.076 232 L CA 2.080 56.910 54.840 -0.016 0.000 0.749 232 L CB -1.178 40.886 42.059 0.008 0.000 0.893 232 L HN 0.779 nan 8.230 nan 0.000 0.432 233 D N -0.789 119.618 120.400 0.011 0.000 2.178 233 D HA -0.146 4.480 4.640 -0.024 0.000 0.202 233 D C 1.935 178.266 176.300 0.052 0.000 0.974 233 D CA 1.332 55.346 54.000 0.025 0.000 0.841 233 D CB -0.293 40.515 40.800 0.013 0.000 0.953 233 D HN 0.556 nan 8.370 nan 0.000 0.478 234 N N 0.007 118.737 118.700 0.050 0.000 2.331 234 N HA -0.088 4.638 4.740 -0.024 0.000 0.180 234 N C 1.753 177.371 175.510 0.179 0.000 1.019 234 N CA 0.048 53.163 53.050 0.108 0.000 0.881 234 N CB 0.133 38.669 38.487 0.081 0.000 0.972 234 N HN 0.018 nan 8.380 nan 0.000 0.435 235 L N 1.243 122.505 121.223 0.065 0.000 2.005 235 L HA 0.017 4.343 4.340 -0.024 0.000 0.207 235 L C 2.194 179.188 176.870 0.206 0.000 1.072 235 L CA 1.420 56.304 54.840 0.072 0.000 0.744 235 L CB -0.776 41.159 42.059 -0.207 0.000 0.895 235 L HN 0.026 nan 8.230 nan 0.000 0.433 236 A N -0.316 122.578 122.820 0.123 0.000 1.917 236 A HA -0.277 4.029 4.320 -0.024 0.000 0.219 236 A C 2.425 180.113 177.584 0.174 0.000 1.182 236 A CA 2.103 54.218 52.037 0.129 0.000 0.633 236 A CB -0.629 18.415 19.000 0.074 0.000 0.819 236 A HN 0.488 nan 8.150 nan 0.000 0.448 237 R N -2.015 118.595 120.500 0.182 0.000 2.115 237 R HA -0.033 4.293 4.340 -0.024 0.000 0.230 237 R C 1.815 178.289 176.300 0.290 0.000 1.111 237 R CA 1.378 57.599 56.100 0.201 0.000 0.976 237 R CB -0.499 29.896 30.300 0.159 0.000 0.870 237 R HN 0.607 nan 8.270 nan 0.000 0.445 238 F N 0.055 120.115 119.950 0.184 0.000 2.128 238 F HA -0.119 4.397 4.527 -0.018 0.000 0.295 238 F C 1.847 177.730 175.800 0.138 0.000 1.100 238 F CA 1.086 59.202 58.000 0.192 0.000 1.260 238 F CB -0.499 38.686 39.000 0.309 0.000 1.009 238 F HN -0.254 nan 8.300 nan 0.000 0.476 239 V N 0.376 120.329 119.914 0.065 0.000 2.332 239 V HA -0.355 3.750 4.120 -0.024 0.000 0.248 239 V C 2.633 178.677 176.094 -0.085 0.000 1.055 239 V CA 2.415 64.653 62.300 -0.104 0.000 1.038 239 V CB -1.052 30.820 31.823 0.083 0.000 0.651 239 V HN 0.507 nan 8.190 nan 0.000 0.450 240 H N -0.635 118.423 119.070 -0.020 0.000 2.423 240 H HA -0.045 4.499 4.556 -0.021 0.000 0.297 240 H C 2.261 177.605 175.328 0.026 0.000 1.075 240 H CA 1.411 57.462 56.048 0.004 0.000 1.342 240 H CB 0.162 29.948 29.762 0.039 0.000 1.395 240 H HN 0.342 nan 8.280 nan 0.000 0.530 241 L N -0.428 120.826 121.223 0.052 0.000 2.093 241 L HA -0.193 4.133 4.340 -0.024 0.000 0.208 241 L C 2.895 179.813 176.870 0.080 0.000 1.085 241 L CA 0.831 55.765 54.840 0.157 0.000 0.755 241 L CB -0.240 41.974 42.059 0.258 0.000 0.904 241 L HN 0.369 nan 8.230 nan 0.000 0.435 242 C N -0.489 118.681 119.300 -0.217 0.000 2.453 242 C HA -0.110 4.335 4.460 -0.024 0.000 0.277 242 C C 2.828 177.669 174.990 -0.248 0.000 1.262 242 C CA 0.370 59.178 59.018 -0.349 0.000 1.718 242 C CB -0.922 26.409 27.740 -0.683 0.000 2.031 242 C HN 0.446 nan 8.230 nan 0.000 0.480 243 R N 0.966 121.310 120.500 -0.260 0.000 2.103 243 R HA -0.164 4.162 4.340 -0.024 0.000 0.242 243 R C 2.094 178.272 176.300 -0.203 0.000 1.142 243 R CA 1.596 57.559 56.100 -0.228 0.000 0.960 243 R CB -0.356 29.806 30.300 -0.230 0.000 0.858 243 R HN 0.682 nan 8.270 nan 0.000 0.439 244 E N -0.193 119.891 120.200 -0.192 0.000 2.047 244 E HA -0.186 4.150 4.350 -0.024 0.000 0.191 244 E C 1.772 178.300 176.600 -0.121 0.000 0.987 244 E CA 0.954 57.308 56.400 -0.076 0.000 0.799 244 E CB -0.190 29.566 29.700 0.093 0.000 0.752 244 E HN 0.211 nan 8.360 nan 0.000 0.449 245 F N 1.517 121.241 119.950 -0.377 0.000 2.095 245 F HA -0.239 4.274 4.527 -0.024 0.000 0.298 245 F C 2.180 177.732 175.800 -0.412 0.000 1.104 245 F CA 1.360 58.934 58.000 -0.711 0.000 1.232 245 F CB -0.029 38.552 39.000 -0.699 0.000 0.987 245 F HN -0.044 nan 8.300 nan 0.000 0.475 246 M N -0.001 119.388 119.600 -0.352 0.000 2.296 246 M HA -0.155 4.311 4.480 -0.024 0.000 0.265 246 M C 2.137 178.251 176.300 -0.309 0.000 1.064 246 M CA 1.306 56.398 55.300 -0.346 0.000 1.109 246 M CB -1.391 31.076 32.600 -0.222 0.000 1.396 246 M HN 0.351 nan 8.290 nan 0.000 0.430 247 E N -0.171 119.879 120.200 -0.251 0.000 2.051 247 E HA 0.059 4.394 4.350 -0.024 0.000 0.189 247 E C 0.091 176.585 176.600 -0.177 0.000 0.979 247 E CA 0.761 57.056 56.400 -0.175 0.000 0.803 247 E CB 0.318 29.946 29.700 -0.120 0.000 0.761 247 E HN 0.329 nan 8.360 nan 0.000 0.451 248 A N 1.829 124.528 122.820 -0.202 0.000 3.159 248 A HA 0.381 4.687 4.320 -0.024 0.000 0.330 248 A C -2.638 174.790 177.584 -0.259 0.000 1.032 248 A CA -1.350 50.599 52.037 -0.147 0.000 0.841 248 A CB 0.443 19.438 19.000 -0.009 0.000 1.093 248 A HN 0.003 nan 8.150 nan 0.000 0.478 249 P HA 0.127 nan 4.420 nan 0.000 0.264 249 P C 0.032 177.214 177.300 -0.197 0.000 1.179 249 P CA 0.892 63.535 63.100 -0.762 0.000 0.763 249 P CB 0.709 32.021 31.700 -0.647 0.000 0.806 250 S N 2.278 118.030 115.700 0.088 0.000 2.543 250 S HA 0.195 4.651 4.470 -0.024 0.000 0.273 250 S C 0.310 175.287 174.600 0.629 0.000 1.152 250 S CA -0.778 57.660 58.200 0.397 0.000 0.910 250 S CB 0.567 64.096 63.200 0.549 0.000 1.105 250 S HN 0.445 nan 8.310 nan 0.000 0.465 251 L N 4.530 126.013 121.223 0.432 0.000 2.362 251 L HA 0.218 4.544 4.340 -0.024 0.000 0.219 251 L C 1.881 179.049 176.870 0.495 0.000 1.134 251 L CA 1.850 56.958 54.840 0.447 0.000 0.807 251 L CB -0.555 41.630 42.059 0.210 0.000 0.927 251 L HN 0.899 nan 8.230 nan 0.000 0.447 252 G N -0.857 108.189 108.800 0.409 0.000 2.708 252 G HA2 -0.223 3.723 3.960 -0.024 0.000 0.210 252 G HA3 -0.223 3.723 3.960 -0.024 0.000 0.210 252 G C 0.920 175.910 174.900 0.150 0.000 1.141 252 G CA 0.057 45.296 45.100 0.232 0.000 0.788 252 G HN 0.416 nan 8.290 nan 0.000 0.531 253 F N -0.711 119.356 119.950 0.194 0.000 2.743 253 F HA 0.329 4.845 4.527 -0.018 0.000 0.297 253 F C 1.256 176.847 175.800 -0.349 0.000 1.131 253 F CA -0.107 57.845 58.000 -0.080 0.000 1.426 253 F CB 0.170 39.190 39.000 0.033 0.000 1.116 253 F HN 0.094 nan 8.300 nan 0.000 0.583 254 F N -0.194 119.854 119.950 0.162 0.000 2.678 254 F HA 0.242 4.753 4.527 -0.026 0.000 0.305 254 F C 0.442 176.228 175.800 -0.023 0.000 1.090 254 F CA -0.252 57.775 58.000 0.044 0.000 1.272 254 F CB -0.242 38.783 39.000 0.041 0.000 1.060 254 F HN -0.371 nan 8.300 nan 0.000 0.576 255 K N 1.060 121.520 120.400 0.100 0.000 2.244 255 K HA 0.390 4.696 4.320 -0.024 0.000 0.260 255 K C -2.526 174.022 176.600 -0.086 0.000 0.951 255 K CA -1.956 54.335 56.287 0.006 0.000 0.826 255 K CB 1.199 33.697 32.500 -0.004 0.000 1.108 255 K HN -0.227 nan 8.250 nan 0.000 0.433 256 P HA -0.079 nan 4.420 nan 0.000 0.269 256 P C -0.907 176.281 177.300 -0.187 0.000 1.211 256 P CA 0.020 63.053 63.100 -0.112 0.000 0.781 256 P CB 0.468 32.122 31.700 -0.077 0.000 0.877 257 K N 1.816 122.128 120.400 -0.146 0.000 2.174 257 K HA 0.226 4.532 4.320 -0.024 0.000 0.275 257 K C -0.113 176.428 176.600 -0.099 0.000 1.015 257 K CA -0.483 55.725 56.287 -0.132 0.000 0.933 257 K CB -0.125 32.360 32.500 -0.026 0.000 1.025 257 K HN 0.516 nan 8.250 nan 0.000 0.463 258 H N 1.772 120.825 119.070 -0.028 0.000 3.046 258 H HA 0.046 4.587 4.556 -0.024 0.000 0.303 258 H C -1.578 173.738 175.328 -0.020 0.000 1.002 258 H CA -1.526 54.511 56.048 -0.019 0.000 1.460 258 H CB -0.393 29.359 29.762 -0.017 0.000 1.493 258 H HN 0.397 nan 8.280 nan 0.000 0.559 259 P HA -0.215 nan 4.420 nan 0.000 0.218 259 P C -0.059 177.265 177.300 0.040 0.000 1.152 259 P CA 0.962 64.091 63.100 0.049 0.000 0.857 259 P CB 0.140 31.861 31.700 0.035 0.000 0.787 260 L N -0.862 120.389 121.223 0.046 0.000 3.546 260 L HA -0.180 4.146 4.340 -0.024 0.000 0.668 260 L C -0.740 176.129 176.870 -0.002 0.000 1.139 260 L CA 0.354 55.199 54.840 0.009 0.000 1.122 260 L CB -1.981 40.073 42.059 -0.009 0.000 1.545 260 L HN 0.048 nan 8.230 nan 0.000 0.851 261 E N 3.894 124.095 120.200 0.001 0.000 1.999 261 E HA 0.277 4.613 4.350 -0.024 0.000 0.296 261 E C 1.024 177.615 176.600 -0.015 0.000 1.187 261 E CA 0.070 56.468 56.400 -0.004 0.000 1.229 261 E CB 0.078 29.780 29.700 0.003 0.000 1.131 261 E HN 0.606 nan 8.360 nan 0.000 0.478 262 I N 1.706 122.262 120.570 -0.024 0.000 3.017 262 I HA -0.155 4.001 4.170 -0.024 0.000 0.310 262 I C 0.422 176.515 176.117 -0.040 0.000 1.220 262 I CA 0.196 61.474 61.300 -0.037 0.000 1.450 262 I CB 0.582 38.553 38.000 -0.048 0.000 1.317 262 I HN 0.294 nan 8.210 nan 0.000 0.570 263 E N 9.568 129.741 120.200 -0.046 0.000 2.351 263 E HA 0.047 4.383 4.350 -0.024 0.000 0.266 263 E C -1.613 174.943 176.600 -0.073 0.000 1.031 263 E CA -1.431 54.942 56.400 -0.046 0.000 0.911 263 E CB 0.170 29.845 29.700 -0.043 0.000 0.986 263 E HN 0.487 nan 8.360 nan 0.000 0.446 264 P HA -0.189 nan 4.420 nan 0.000 0.224 264 P C 0.946 178.148 177.300 -0.164 0.000 1.142 264 P CA 1.050 64.094 63.100 -0.093 0.000 0.778 264 P CB 0.568 32.270 31.700 0.002 0.000 0.764 265 E N 0.855 120.989 120.200 -0.111 0.000 2.086 265 E HA -0.107 4.229 4.350 -0.024 0.000 0.190 265 E C 2.332 178.848 176.600 -0.141 0.000 0.975 265 E CA 0.765 57.101 56.400 -0.107 0.000 0.813 265 E CB -0.709 28.956 29.700 -0.057 0.000 0.768 265 E HN 0.022 nan 8.360 nan 0.000 0.457 266 R N -0.169 120.255 120.500 -0.127 0.000 2.148 266 R HA -0.095 4.231 4.340 -0.024 0.000 0.227 266 R C 2.097 178.293 176.300 -0.174 0.000 1.103 266 R CA 1.039 57.068 56.100 -0.120 0.000 0.983 266 R CB -0.231 30.015 30.300 -0.090 0.000 0.874 266 R HN 0.275 nan 8.270 nan 0.000 0.451 267 L N 1.172 122.236 121.223 -0.264 0.000 2.023 267 L HA -0.099 4.227 4.340 -0.024 0.000 0.205 267 L C 2.545 179.096 176.870 -0.531 0.000 1.073 267 L CA 1.727 56.340 54.840 -0.379 0.000 0.745 267 L CB -0.589 41.182 42.059 -0.480 0.000 0.900 267 L HN 0.078 nan 8.230 nan 0.000 0.435 268 R N -0.392 119.667 120.500 -0.735 0.000 2.103 268 R HA -0.222 4.104 4.340 -0.024 0.000 0.242 268 R C 2.297 178.485 176.300 -0.187 0.000 1.142 268 R CA 1.874 57.647 56.100 -0.546 0.000 0.960 268 R CB -0.130 30.001 30.300 -0.281 0.000 0.858 268 R HN 0.376 nan 8.270 nan 0.000 0.439 269 K N 0.230 120.538 120.400 -0.154 0.000 1.991 269 K HA -0.156 4.150 4.320 -0.024 0.000 0.212 269 K C 2.178 178.744 176.600 -0.057 0.000 1.049 269 K CA 1.921 58.163 56.287 -0.076 0.000 0.932 269 K CB -0.271 32.188 32.500 -0.068 0.000 0.717 269 K HN 0.221 nan 8.250 nan 0.000 0.441 270 I N 0.981 121.503 120.570 -0.080 0.000 2.151 270 I HA -0.314 3.842 4.170 -0.024 0.000 0.243 270 I C 2.218 178.327 176.117 -0.013 0.000 1.080 270 I CA 1.254 62.526 61.300 -0.047 0.000 1.339 270 I CB -0.317 37.647 38.000 -0.060 0.000 1.039 270 I HN -0.020 nan 8.210 nan 0.000 0.409 271 V N 0.278 120.187 119.914 -0.008 0.000 2.594 271 V HA -0.265 3.841 4.120 -0.024 0.000 0.253 271 V C 2.384 178.522 176.094 0.072 0.000 1.069 271 V CA 1.728 64.071 62.300 0.071 0.000 1.082 271 V CB -0.632 31.302 31.823 0.185 0.000 0.680 271 V HN 0.454 nan 8.190 nan 0.000 0.469 272 E N 0.120 120.348 120.200 0.047 0.000 2.046 272 E HA -0.213 4.123 4.350 -0.024 0.000 0.190 272 E C 2.256 178.877 176.600 0.034 0.000 0.982 272 E CA 1.189 57.618 56.400 0.047 0.000 0.800 272 E CB -0.010 29.710 29.700 0.032 0.000 0.756 272 E HN 0.690 nan 8.360 nan 0.000 0.449 273 E N 0.145 120.357 120.200 0.019 0.000 2.130 273 E HA -0.207 4.129 4.350 -0.024 0.000 0.196 273 E C 2.137 178.751 176.600 0.024 0.000 0.998 273 E CA 1.009 57.419 56.400 0.015 0.000 0.806 273 E CB -0.003 29.700 29.700 0.004 0.000 0.738 273 E HN 0.138 nan 8.360 nan 0.000 0.459 274 R N -0.810 119.710 120.500 0.032 0.000 2.153 274 R HA 0.007 4.333 4.340 -0.024 0.000 0.218 274 R C 1.605 177.934 176.300 0.049 0.000 1.072 274 R CA 0.651 56.775 56.100 0.040 0.000 0.990 274 R CB 0.019 30.348 30.300 0.048 0.000 0.889 274 R HN 0.285 nan 8.270 nan 0.000 0.452 275 G N 1.519 110.352 108.800 0.055 0.000 2.166 275 G HA2 -0.342 3.604 3.960 -0.024 0.000 0.260 275 G HA3 -0.342 3.604 3.960 -0.024 0.000 0.260 275 G C 0.425 175.368 174.900 0.070 0.000 0.986 275 G CA 0.941 46.076 45.100 0.058 0.000 0.683 275 G HN 0.515 nan 8.290 nan 0.000 0.527 276 T N -2.333 112.269 114.554 0.080 0.000 2.814 276 T HA 0.770 5.106 4.350 -0.024 0.000 0.284 276 T C 0.403 175.172 174.700 0.113 0.000 0.998 276 T CA 0.301 62.458 62.100 0.094 0.000 0.935 276 T CB 1.980 70.905 68.868 0.094 0.000 1.167 276 T HN 1.664 nan 8.240 nan 0.000 0.545 277 A N 0.437 123.338 122.820 0.135 0.000 2.303 277 A HA 0.664 4.970 4.320 -0.024 0.000 0.320 277 A C -0.693 177.018 177.584 0.212 0.000 1.192 277 A CA -0.774 51.366 52.037 0.172 0.000 0.821 277 A CB 0.813 19.921 19.000 0.180 0.000 1.188 277 A HN 0.758 nan 8.150 nan 0.000 0.492 278 V N 3.925 123.967 119.914 0.214 0.000 2.407 278 V HA 0.689 4.794 4.120 -0.024 0.000 0.291 278 V C -0.720 175.518 176.094 0.240 0.000 1.018 278 V CA -0.263 62.139 62.300 0.170 0.000 0.842 278 V CB 0.406 32.317 31.823 0.147 0.000 0.996 278 V HN 0.900 nan 8.190 nan 0.000 0.426 279 F N 2.734 122.743 119.950 0.098 0.000 2.685 279 F HA 1.020 5.533 4.527 -0.023 0.000 0.315 279 F C -0.475 175.441 175.800 0.193 0.000 1.126 279 F CA -1.199 56.857 58.000 0.094 0.000 0.950 279 F CB 1.701 40.739 39.000 0.064 0.000 1.360 279 F HN 0.587 nan 8.300 nan 0.000 0.469 280 A N 1.040 124.114 122.820 0.423 0.000 2.475 280 A HA 0.755 5.061 4.320 -0.024 0.000 0.301 280 A C -1.960 175.891 177.584 0.445 0.000 1.059 280 A CA -0.902 51.350 52.037 0.359 0.000 0.710 280 A CB 1.719 20.870 19.000 0.253 0.000 1.288 280 A HN 0.849 nan 8.150 nan 0.000 0.408 281 V N 2.367 122.550 119.914 0.449 0.000 2.370 281 V HA 0.419 4.525 4.120 -0.024 0.000 0.279 281 V C 0.255 176.532 176.094 0.304 0.000 1.029 281 V CA -0.317 62.224 62.300 0.403 0.000 0.870 281 V CB 1.284 33.350 31.823 0.404 0.000 0.984 281 V HN 0.901 nan 8.190 nan 0.000 0.451 282 K N 5.245 125.763 120.400 0.198 0.000 2.208 282 K HA 0.823 5.129 4.320 -0.024 0.000 0.247 282 K C -1.248 175.398 176.600 0.078 0.000 0.953 282 K CA -0.467 55.768 56.287 -0.087 0.000 0.837 282 K CB 1.794 34.180 32.500 -0.191 0.000 1.131 282 K HN 0.572 nan 8.250 nan 0.000 0.431 283 F N -1.493 118.454 119.950 -0.004 0.000 2.807 283 F HA 0.430 4.943 4.527 -0.024 0.000 0.316 283 F C -1.292 174.708 175.800 0.334 0.000 1.162 283 F CA -1.363 56.742 58.000 0.175 0.000 0.910 283 F CB 0.706 39.751 39.000 0.076 0.000 1.314 283 F HN 0.313 nan 8.300 nan 0.000 0.454 284 R N 1.598 122.478 120.500 0.633 0.000 2.491 284 R HA 0.231 4.557 4.340 -0.024 0.000 0.283 284 R C -0.282 176.165 176.300 0.244 0.000 1.072 284 R CA -0.732 55.557 56.100 0.315 0.000 1.048 284 R CB 0.896 31.325 30.300 0.215 0.000 0.983 284 R HN 0.670 nan 8.270 nan 0.000 0.450 285 K N 4.718 125.126 120.400 0.014 0.000 2.412 285 K HA 0.096 4.402 4.320 -0.024 0.000 0.284 285 K C -2.138 174.495 176.600 0.057 0.000 1.046 285 K CA -1.350 54.952 56.287 0.025 0.000 0.999 285 K CB 0.505 32.962 32.500 -0.071 0.000 0.941 285 K HN 0.218 nan 8.250 nan 0.000 0.474 286 P HA -0.021 nan 4.420 nan 0.000 0.269 286 P C -1.002 176.302 177.300 0.008 0.000 1.209 286 P CA -0.133 62.997 63.100 0.049 0.000 0.776 286 P CB 0.495 32.220 31.700 0.042 0.000 0.876 287 D N 3.075 123.471 120.400 -0.007 0.000 2.551 287 D HA 0.192 4.818 4.640 -0.024 0.000 0.223 287 D C -0.179 176.108 176.300 -0.022 0.000 1.144 287 D CA -0.012 53.976 54.000 -0.020 0.000 1.025 287 D CB -1.001 39.783 40.800 -0.028 0.000 1.085 287 D HN 0.244 nan 8.370 nan 0.000 0.506 288 I N -1.713 118.848 120.570 -0.015 0.000 3.174 288 I HA 0.541 4.697 4.170 -0.024 0.000 0.313 288 I C -0.493 175.627 176.117 0.005 0.000 1.155 288 I CA -1.383 59.908 61.300 -0.015 0.000 0.977 288 I CB 1.559 39.548 38.000 -0.019 0.000 1.248 288 I HN -0.299 nan 8.210 nan 0.000 0.453 289 V N 2.123 122.045 119.914 0.014 0.000 2.715 289 V HA 0.028 4.133 4.120 -0.024 0.000 0.299 289 V C 0.754 176.906 176.094 0.096 0.000 1.054 289 V CA 0.163 62.495 62.300 0.052 0.000 1.077 289 V CB 0.461 32.316 31.823 0.053 0.000 0.972 289 V HN 0.788 nan 8.190 nan 0.000 0.484 290 D N 1.591 122.083 120.400 0.155 0.000 2.228 290 D HA -0.164 4.461 4.640 -0.024 0.000 0.203 290 D C 1.594 178.077 176.300 0.305 0.000 0.988 290 D CA 1.335 55.514 54.000 0.298 0.000 0.864 290 D CB -0.056 40.926 40.800 0.303 0.000 0.928 290 D HN 0.637 nan 8.370 nan 0.000 0.469 291 D N -0.465 120.057 120.400 0.203 0.000 2.312 291 D HA -0.035 4.590 4.640 -0.024 0.000 0.211 291 D C 1.375 177.745 176.300 0.116 0.000 0.964 291 D CA 0.469 54.604 54.000 0.225 0.000 0.877 291 D CB 0.186 41.117 40.800 0.219 0.000 0.924 291 D HN 0.231 nan 8.370 nan 0.000 0.515 292 N N -0.018 118.722 118.700 0.066 0.000 2.463 292 N HA -0.026 4.699 4.740 -0.024 0.000 0.183 292 N C 1.794 177.274 175.510 -0.050 0.000 1.064 292 N CA -0.073 52.967 53.050 -0.018 0.000 0.879 292 N CB 0.273 38.750 38.487 -0.017 0.000 1.148 292 N HN 0.122 nan 8.380 nan 0.000 0.451 293 L N 0.779 121.987 121.223 -0.026 0.000 2.005 293 L HA -0.058 4.268 4.340 -0.024 0.000 0.207 293 L C 1.870 178.579 176.870 -0.269 0.000 1.072 293 L CA 1.684 56.440 54.840 -0.141 0.000 0.744 293 L CB -0.895 41.056 42.059 -0.180 0.000 0.895 293 L HN 0.037 nan 8.230 nan 0.000 0.433 294 Y N -0.027 120.215 120.300 -0.097 0.000 2.128 294 Y HA -0.144 4.392 4.550 -0.023 0.000 0.284 294 Y C -0.274 175.491 175.900 -0.223 0.000 1.154 294 Y CA 2.040 60.044 58.100 -0.159 0.000 1.149 294 Y CB -2.007 36.462 38.460 0.015 0.000 0.976 294 Y HN 0.289 nan 8.280 nan 0.000 0.505 295 P HA -0.162 nan 4.420 nan 0.000 0.218 295 P C 1.090 178.281 177.300 -0.183 0.000 1.149 295 P CA 1.761 64.744 63.100 -0.194 0.000 0.817 295 P CB -0.010 31.451 31.700 -0.398 0.000 0.785 296 Q N -0.803 118.880 119.800 -0.195 0.000 2.020 296 Q HA -0.076 4.250 4.340 -0.024 0.000 0.198 296 Q C 2.178 178.049 176.000 -0.214 0.000 0.974 296 Q CA 1.130 56.826 55.803 -0.179 0.000 0.829 296 Q CB -0.721 27.923 28.738 -0.156 0.000 0.894 296 Q HN 0.250 nan 8.270 nan 0.000 0.433 297 L N 0.821 121.832 121.223 -0.353 0.000 2.081 297 L HA -0.250 4.076 4.340 -0.024 0.000 0.212 297 L C 2.192 178.792 176.870 -0.451 0.000 1.080 297 L CA 1.358 55.898 54.840 -0.500 0.000 0.754 297 L CB -0.485 40.943 42.059 -1.052 0.000 0.893 297 L HN 0.304 nan 8.230 nan 0.000 0.433 298 E N -0.276 119.685 120.200 -0.400 0.000 2.077 298 E HA -0.257 4.079 4.350 -0.024 0.000 0.193 298 E C 2.255 178.866 176.600 0.019 0.000 0.989 298 E CA 1.063 57.441 56.400 -0.037 0.000 0.800 298 E CB -0.094 29.648 29.700 0.071 0.000 0.746 298 E HN 0.376 nan 8.360 nan 0.000 0.452 299 R N 0.971 121.448 120.500 -0.038 0.000 2.066 299 R HA -0.114 4.212 4.340 -0.024 0.000 0.232 299 R C 2.264 178.586 176.300 0.038 0.000 1.131 299 R CA 1.402 57.499 56.100 -0.005 0.000 0.955 299 R CB -0.231 30.038 30.300 -0.051 0.000 0.851 299 R HN 0.124 nan 8.270 nan 0.000 0.432 300 A N 0.182 123.009 122.820 0.011 0.000 1.858 300 A HA -0.178 4.127 4.320 -0.024 0.000 0.216 300 A C 2.257 179.965 177.584 0.206 0.000 1.190 300 A CA 1.894 53.970 52.037 0.066 0.000 0.617 300 A CB -1.134 17.868 19.000 0.004 0.000 0.827 300 A HN 0.492 nan 8.150 nan 0.000 0.443 301 S N -0.929 114.902 115.700 0.218 0.000 2.402 301 S HA -0.235 4.221 4.470 -0.024 0.000 0.233 301 S C 2.193 177.029 174.600 0.394 0.000 1.030 301 S CA 1.825 60.230 58.200 0.342 0.000 1.003 301 S CB -0.383 62.984 63.200 0.279 0.000 0.813 301 S HN 0.606 nan 8.310 nan 0.000 0.477 302 R N 0.300 120.951 120.500 0.251 0.000 2.062 302 R HA 0.021 4.347 4.340 -0.024 0.000 0.226 302 R C 2.219 178.678 176.300 0.265 0.000 1.125 302 R CA 1.069 57.304 56.100 0.225 0.000 0.966 302 R CB -0.151 30.226 30.300 0.129 0.000 0.861 302 R HN 0.192 nan 8.270 nan 0.000 0.433 303 K N 0.775 121.303 120.400 0.212 0.000 2.063 303 K HA -0.159 4.147 4.320 -0.024 0.000 0.208 303 K C 2.075 178.771 176.600 0.160 0.000 1.048 303 K CA 1.450 57.854 56.287 0.196 0.000 0.928 303 K CB -0.398 32.231 32.500 0.215 0.000 0.713 303 K HN 0.345 nan 8.250 nan 0.000 0.442 304 I N -0.020 120.680 120.570 0.217 0.000 2.394 304 I HA -0.223 3.933 4.170 -0.024 0.000 0.251 304 I C 2.251 178.384 176.117 0.026 0.000 1.136 304 I CA 0.641 61.976 61.300 0.058 0.000 1.425 304 I CB -0.221 37.814 38.000 0.058 0.000 1.079 304 I HN -0.050 nan 8.210 nan 0.000 0.425 305 F N 2.078 122.088 119.950 0.101 0.000 2.102 305 F HA -0.213 4.300 4.527 -0.023 0.000 0.298 305 F C 2.439 178.251 175.800 0.020 0.000 1.105 305 F CA 1.760 59.828 58.000 0.112 0.000 1.239 305 F CB -0.132 38.998 39.000 0.217 0.000 0.991 305 F HN 0.047 nan 8.300 nan 0.000 0.474 306 E N -0.696 119.625 120.200 0.202 0.000 2.204 306 E HA -0.219 4.117 4.350 -0.024 0.000 0.194 306 E C 2.065 178.610 176.600 -0.091 0.000 0.989 306 E CA 1.173 57.611 56.400 0.064 0.000 0.824 306 E CB -0.602 29.174 29.700 0.126 0.000 0.756 306 E HN 0.546 nan 8.360 nan 0.000 0.477 307 F N 1.847 121.612 119.950 -0.310 0.000 2.186 307 F HA -0.108 4.404 4.527 -0.024 0.000 0.299 307 F C 1.824 177.456 175.800 -0.280 0.000 1.090 307 F CA 1.098 58.820 58.000 -0.463 0.000 1.307 307 F CB -0.143 38.222 39.000 -1.058 0.000 1.019 307 F HN -0.119 nan 8.300 nan 0.000 0.489 308 L N 0.572 121.506 121.223 -0.483 0.000 2.027 308 L HA -0.190 4.135 4.340 -0.024 0.000 0.206 308 L C 2.597 179.258 176.870 -0.349 0.000 1.074 308 L CA 1.897 56.484 54.840 -0.422 0.000 0.745 308 L CB -0.897 40.970 42.059 -0.320 0.000 0.898 308 L HN 0.282 nan 8.230 nan 0.000 0.433 309 E N 0.940 120.915 120.200 -0.374 0.000 2.072 309 E HA -0.260 4.076 4.350 -0.024 0.000 0.191 309 E C 2.067 178.533 176.600 -0.223 0.000 0.985 309 E CA 1.251 57.482 56.400 -0.281 0.000 0.801 309 E CB -0.367 29.195 29.700 -0.230 0.000 0.750 309 E HN 0.584 nan 8.360 nan 0.000 0.452 310 R N 0.798 121.165 120.500 -0.222 0.000 2.189 310 R HA 0.011 4.337 4.340 -0.024 0.000 0.218 310 R C 1.655 177.801 176.300 -0.257 0.000 1.074 310 R CA 1.099 57.090 56.100 -0.183 0.000 0.991 310 R CB -0.034 30.196 30.300 -0.117 0.000 0.883 310 R HN -0.013 nan 8.270 nan 0.000 0.457 311 E N 1.305 121.276 120.200 -0.382 0.000 2.481 311 E HA -0.024 4.312 4.350 -0.024 0.000 0.195 311 E C -0.476 175.796 176.600 -0.546 0.000 1.047 311 E CA 0.260 56.401 56.400 -0.431 0.000 0.867 311 E CB -0.212 29.138 29.700 -0.583 0.000 0.858 311 E HN 0.559 nan 8.360 nan 0.000 0.513 312 N N -1.900 116.536 118.700 -0.441 0.000 2.937 312 N HA -0.197 4.528 4.740 -0.024 0.000 0.248 312 N C -0.356 174.867 175.510 -0.479 0.000 1.069 312 N CA 0.457 53.251 53.050 -0.427 0.000 0.822 312 N CB -1.546 36.692 38.487 -0.416 0.000 1.122 312 N HN 0.067 nan 8.380 nan 0.000 0.554 313 F N 0.924 120.771 119.950 -0.173 0.000 2.692 313 F HA 0.349 4.862 4.527 -0.024 0.000 0.303 313 F C 0.945 176.679 175.800 -0.109 0.000 1.114 313 F CA 0.080 58.008 58.000 -0.121 0.000 1.361 313 F CB -0.078 38.845 39.000 -0.129 0.000 1.063 313 F HN 0.072 nan 8.300 nan 0.000 0.550 314 M N 0.631 120.215 119.600 -0.027 0.000 2.787 314 M HA -0.192 4.274 4.480 -0.024 0.000 0.176 314 M C -2.555 173.722 176.300 -0.039 0.000 1.139 314 M CA -0.261 55.015 55.300 -0.040 0.000 0.681 314 M CB -1.665 30.933 32.600 -0.003 0.000 1.180 314 M HN -0.136 nan 8.290 nan 0.000 0.788 315 P HA 0.139 nan 4.420 nan 0.000 0.267 315 P C 0.421 177.739 177.300 0.030 0.000 1.205 315 P CA 0.076 63.042 63.100 -0.224 0.000 0.765 315 P CB 0.736 31.852 31.700 -0.974 0.000 0.828 316 L N 2.740 124.072 121.223 0.182 0.000 2.062 316 L HA 0.121 4.447 4.340 -0.024 0.000 0.202 316 L C 1.272 178.366 176.870 0.373 0.000 1.079 316 L CA 1.296 56.272 54.840 0.226 0.000 0.755 316 L CB -0.174 41.970 42.059 0.142 0.000 0.913 316 L HN 0.390 nan 8.230 nan 0.000 0.445 317 R N -1.569 119.154 120.500 0.371 0.000 2.781 317 R HA 0.429 4.754 4.340 -0.024 0.000 0.269 317 R C -1.104 175.337 176.300 0.235 0.000 1.025 317 R CA -0.453 55.793 56.100 0.244 0.000 0.914 317 R CB 2.059 32.387 30.300 0.046 0.000 1.236 317 R HN 0.136 nan 8.270 nan 0.000 0.465 318 S N -0.119 115.562 115.700 -0.033 0.000 2.677 318 S HA 0.961 5.417 4.470 -0.024 0.000 0.304 318 S C -0.916 173.536 174.600 -0.247 0.000 1.108 318 S CA -0.333 57.786 58.200 -0.135 0.000 0.944 318 S CB 2.434 65.601 63.200 -0.055 0.000 1.127 318 S HN 0.825 nan 8.310 nan 0.000 0.511 319 A N 0.468 123.080 122.820 -0.346 0.000 2.536 319 A HA 0.865 5.171 4.320 -0.024 0.000 0.293 319 A C -1.717 175.735 177.584 -0.222 0.000 1.119 319 A CA -0.744 51.089 52.037 -0.340 0.000 0.654 319 A CB 0.741 19.574 19.000 -0.279 0.000 1.291 319 A HN 1.991 nan 8.150 nan 0.000 0.439 320 F N -1.618 118.282 119.950 -0.083 0.000 2.688 320 F HA 0.853 5.366 4.527 -0.023 0.000 0.308 320 F C -1.165 174.657 175.800 0.037 0.000 1.117 320 F CA -1.089 56.892 58.000 -0.032 0.000 0.976 320 F CB 1.419 40.412 39.000 -0.012 0.000 1.291 320 F HN 0.520 nan 8.300 nan 0.000 0.439 321 K N 2.192 122.813 120.400 0.369 0.000 2.482 321 K HA 0.840 5.145 4.320 -0.024 0.000 0.251 321 K C -1.806 174.964 176.600 0.283 0.000 0.936 321 K CA -0.645 55.825 56.287 0.305 0.000 0.791 321 K CB 2.132 34.734 32.500 0.170 0.000 1.213 321 K HN 1.160 nan 8.250 nan 0.000 0.428 322 A N 2.551 125.505 122.820 0.223 0.000 2.319 322 A HA 0.549 4.855 4.320 -0.024 0.000 0.310 322 A C -0.025 177.650 177.584 0.153 0.000 1.152 322 A CA -0.446 51.651 52.037 0.100 0.000 0.783 322 A CB 0.704 19.661 19.000 -0.072 0.000 1.184 322 A HN 0.785 nan 8.150 nan 0.000 0.474 323 S N 1.574 117.365 115.700 0.152 0.000 2.667 323 S HA 0.475 4.931 4.470 -0.024 0.000 0.292 323 S C 0.572 175.209 174.600 0.061 0.000 1.108 323 S CA -0.311 57.974 58.200 0.140 0.000 0.992 323 S CB 0.411 63.736 63.200 0.209 0.000 1.269 323 S HN 0.558 nan 8.310 nan 0.000 0.528 324 E N 1.385 121.606 120.200 0.036 0.000 2.028 324 E HA -0.108 4.228 4.350 -0.024 0.000 0.190 324 E C 2.102 178.638 176.600 -0.107 0.000 0.984 324 E CA 1.679 58.068 56.400 -0.020 0.000 0.800 324 E CB -0.369 29.320 29.700 -0.017 0.000 0.758 324 E HN 0.846 nan 8.360 nan 0.000 0.448 325 E N -0.403 119.685 120.200 -0.186 0.000 2.042 325 E HA -0.001 4.335 4.350 -0.024 0.000 0.189 325 E C 0.539 176.725 176.600 -0.690 0.000 0.974 325 E CA 0.557 56.652 56.400 -0.508 0.000 0.806 325 E CB -0.099 29.157 29.700 -0.740 0.000 0.769 325 E HN 0.035 nan 8.360 nan 0.000 0.451 326 F N 0.099 119.998 119.950 -0.085 0.000 2.613 326 F HA 0.515 5.027 4.527 -0.024 0.000 0.342 326 F C -0.177 175.372 175.800 -0.417 0.000 1.066 326 F CA -1.297 56.534 58.000 -0.283 0.000 1.002 326 F CB 1.525 40.276 39.000 -0.415 0.000 1.319 326 F HN -0.051 nan 8.300 nan 0.000 0.495 327 C N 0.578 119.505 119.300 -0.621 0.000 2.626 327 C HA 0.681 5.126 4.460 -0.024 0.000 0.310 327 C C -1.447 172.966 174.990 -0.961 0.000 1.191 327 C CA -1.084 57.496 59.018 -0.731 0.000 1.517 327 C CB 0.843 27.974 27.740 -1.015 0.000 2.102 327 C HN 0.590 nan 8.230 nan 0.000 0.479 328 Y N 2.243 122.410 120.300 -0.221 0.000 2.391 328 Y HA 0.653 5.189 4.550 -0.024 0.000 0.341 328 Y C -0.115 175.802 175.900 0.029 0.000 0.965 328 Y CA -0.902 57.152 58.100 -0.077 0.000 1.067 328 Y CB 0.805 39.250 38.460 -0.026 0.000 1.199 328 Y HN 0.376 nan 8.280 nan 0.000 0.450 329 L N 5.141 126.502 121.223 0.231 0.000 2.280 329 L HA 0.500 4.826 4.340 -0.024 0.000 0.287 329 L C -0.681 176.092 176.870 -0.162 0.000 1.023 329 L CA -0.448 54.450 54.840 0.097 0.000 0.819 329 L CB 0.732 42.981 42.059 0.316 0.000 1.212 329 L HN 0.498 nan 8.230 nan 0.000 0.420 330 L N 3.454 124.424 121.223 -0.423 0.000 2.343 330 L HA 0.616 4.942 4.340 -0.024 0.000 0.275 330 L C -0.857 175.440 176.870 -0.954 0.000 1.056 330 L CA -0.412 54.157 54.840 -0.453 0.000 0.804 330 L CB 1.146 43.063 42.059 -0.236 0.000 1.203 330 L HN 0.360 nan 8.230 nan 0.000 0.440 331 F N -0.138 119.629 119.950 -0.304 0.000 2.654 331 F HA 0.433 4.946 4.527 -0.024 0.000 0.308 331 F C -0.383 175.218 175.800 -0.331 0.000 1.108 331 F CA -0.730 57.051 58.000 -0.365 0.000 0.957 331 F CB 2.018 40.586 39.000 -0.721 0.000 1.309 331 F HN 0.374 nan 8.300 nan 0.000 0.446 332 E N 1.521 121.763 120.200 0.069 0.000 2.263 332 E HA 0.655 4.991 4.350 -0.024 0.000 0.268 332 E C -1.929 174.739 176.600 0.112 0.000 0.884 332 E CA -0.401 56.044 56.400 0.075 0.000 0.766 332 E CB 1.645 31.393 29.700 0.081 0.000 1.196 332 E HN 0.740 nan 8.360 nan 0.000 0.416 333 C N 3.498 122.874 119.300 0.127 0.000 2.507 333 C HA 0.262 4.708 4.460 -0.024 0.000 0.319 333 C C 1.219 176.281 174.990 0.121 0.000 1.208 333 C CA -0.510 58.584 59.018 0.127 0.000 1.619 333 C CB 1.627 29.465 27.740 0.163 0.000 2.230 333 C HN 0.889 nan 8.230 nan 0.000 0.492 334 Q N 0.896 120.757 119.800 0.101 0.000 2.436 334 Q HA 0.094 4.420 4.340 -0.024 0.000 0.209 334 Q C 0.054 176.115 176.000 0.100 0.000 0.965 334 Q CA 0.900 56.755 55.803 0.087 0.000 0.910 334 Q CB 0.179 28.954 28.738 0.063 0.000 0.980 334 Q HN 0.576 nan 8.270 nan 0.000 0.491 335 I N 1.133 121.790 120.570 0.146 0.000 2.428 335 I HA 0.107 4.263 4.170 -0.024 0.000 0.279 335 I C 0.626 176.867 176.117 0.207 0.000 1.040 335 I CA -0.058 61.352 61.300 0.183 0.000 1.171 335 I CB 1.154 39.295 38.000 0.236 0.000 1.312 335 I HN 0.030 nan 8.210 nan 0.000 0.470 336 K N 3.320 123.802 120.400 0.137 0.000 2.057 336 K HA -0.088 4.217 4.320 -0.024 0.000 0.207 336 K C 0.601 177.272 176.600 0.118 0.000 1.049 336 K CA 1.219 57.568 56.287 0.102 0.000 0.931 336 K CB 0.447 32.994 32.500 0.079 0.000 0.714 336 K HN 0.556 nan 8.250 nan 0.000 0.440 337 E N 0.093 120.381 120.200 0.147 0.000 2.343 337 E HA 0.415 4.751 4.350 -0.024 0.000 0.278 337 E C -1.839 174.855 176.600 0.158 0.000 0.910 337 E CA -0.519 55.980 56.400 0.164 0.000 0.757 337 E CB 1.781 31.542 29.700 0.102 0.000 1.218 337 E HN 0.049 nan 8.360 nan 0.000 0.435 338 I N 2.496 123.171 120.570 0.175 0.000 2.785 338 I HA 0.434 4.590 4.170 -0.024 0.000 0.302 338 I C -0.251 175.907 176.117 0.070 0.000 1.069 338 I CA -0.685 60.660 61.300 0.075 0.000 1.045 338 I CB 1.946 39.920 38.000 -0.044 0.000 1.236 338 I HN 0.807 nan 8.210 nan 0.000 0.429 339 S N 5.180 120.903 115.700 0.038 0.000 2.580 339 S HA 0.128 4.584 4.470 -0.024 0.000 0.266 339 S C 0.942 175.585 174.600 0.071 0.000 1.354 339 S CA -0.176 58.050 58.200 0.043 0.000 1.008 339 S CB 1.141 64.350 63.200 0.015 0.000 0.898 339 S HN 0.849 nan 8.310 nan 0.000 0.555 340 R N 0.381 120.928 120.500 0.079 0.000 2.093 340 R HA 0.059 4.385 4.340 -0.024 0.000 0.224 340 R C 0.491 176.896 176.300 0.174 0.000 1.101 340 R CA 0.989 57.157 56.100 0.113 0.000 0.979 340 R CB -0.553 29.809 30.300 0.103 0.000 0.877 340 R HN 0.749 nan 8.270 nan 0.000 0.441 341 V N 0.314 120.295 119.914 0.112 0.000 2.583 341 V HA 0.439 4.544 4.120 -0.024 0.000 0.287 341 V C -0.318 175.899 176.094 0.205 0.000 1.051 341 V CA -0.813 61.547 62.300 0.101 0.000 1.010 341 V CB 0.650 32.396 31.823 -0.128 0.000 0.988 341 V HN 0.226 nan 8.190 nan 0.000 0.478 342 F N 2.024 122.043 119.950 0.116 0.000 2.643 342 F HA 0.889 5.402 4.527 -0.024 0.000 0.314 342 F C -0.377 175.573 175.800 0.249 0.000 1.096 342 F CA -1.597 56.480 58.000 0.128 0.000 0.953 342 F CB 1.821 40.852 39.000 0.051 0.000 1.345 342 F HN 0.717 nan 8.300 nan 0.000 0.468 343 R N 1.810 122.463 120.500 0.255 0.000 2.460 343 R HA 0.683 5.009 4.340 -0.024 0.000 0.303 343 R C -1.161 175.315 176.300 0.295 0.000 0.968 343 R CA -0.904 55.310 56.100 0.191 0.000 0.889 343 R CB 2.216 32.647 30.300 0.218 0.000 1.123 343 R HN 0.958 nan 8.270 nan 0.000 0.455 344 R N 3.241 123.885 120.500 0.241 0.000 2.562 344 R HA 0.300 4.626 4.340 -0.024 0.000 0.298 344 R C -0.668 175.790 176.300 0.263 0.000 0.961 344 R CA -0.773 55.505 56.100 0.297 0.000 0.881 344 R CB 1.848 32.290 30.300 0.238 0.000 1.159 344 R HN 0.752 nan 8.270 nan 0.000 0.450 345 M N 3.859 123.496 119.600 0.062 0.000 2.146 345 M HA 0.262 4.728 4.480 -0.024 0.000 0.352 345 M C -0.120 175.752 176.300 -0.714 0.000 1.343 345 M CA 0.099 55.047 55.300 -0.586 0.000 1.115 345 M CB 0.906 33.127 32.600 -0.632 0.000 1.657 345 M HN 0.850 nan 8.290 nan 0.000 0.471 346 G N 5.210 113.350 108.800 -1.101 0.000 2.568 346 G HA2 0.647 4.593 3.960 -0.024 0.000 0.293 346 G HA3 0.647 4.593 3.960 -0.024 0.000 0.293 346 G C -2.887 171.483 174.900 -0.884 0.000 1.347 346 G CA -1.105 43.134 45.100 -1.434 0.000 1.039 346 G HN 0.515 nan 8.290 nan 0.000 0.523 347 P HA 0.114 nan 4.420 nan 0.000 0.274 347 P C -0.573 176.605 177.300 -0.204 0.000 1.246 347 P CA -0.146 62.739 63.100 -0.358 0.000 0.795 347 P CB 0.882 32.420 31.700 -0.269 0.000 1.006 348 Q N 0.267 119.979 119.800 -0.147 0.000 2.421 348 Q HA 0.064 4.390 4.340 -0.024 0.000 0.255 348 Q C 1.196 177.222 176.000 0.044 0.000 1.013 348 Q CA -0.093 55.671 55.803 -0.066 0.000 0.895 348 Q CB 0.118 28.775 28.738 -0.136 0.000 1.271 348 Q HN 0.508 nan 8.270 nan 0.000 0.460 349 F N 0.929 120.944 119.950 0.109 0.000 2.250 349 F HA -0.176 4.336 4.527 -0.024 0.000 0.301 349 F C 1.341 177.218 175.800 0.128 0.000 1.077 349 F CA 1.148 59.276 58.000 0.214 0.000 1.348 349 F CB -0.180 38.891 39.000 0.118 0.000 1.040 349 F HN 0.477 nan 8.300 nan 0.000 0.509 350 E N 1.161 120.863 120.200 -0.830 0.000 2.048 350 E HA -0.229 4.107 4.350 -0.024 0.000 0.202 350 E C 0.473 176.935 176.600 -0.230 0.000 1.021 350 E CA 1.651 57.655 56.400 -0.661 0.000 0.825 350 E CB -1.167 28.184 29.700 -0.581 0.000 0.756 350 E HN 0.674 nan 8.360 nan 0.000 0.454 351 D N 1.292 121.597 120.400 -0.158 0.000 2.365 351 D HA -0.025 4.601 4.640 -0.024 0.000 0.237 351 D C 0.902 177.170 176.300 -0.053 0.000 1.190 351 D CA -0.077 53.868 54.000 -0.092 0.000 0.867 351 D CB 0.936 41.680 40.800 -0.093 0.000 1.050 351 D HN 0.287 nan 8.370 nan 0.000 0.491 352 E N 2.781 122.965 120.200 -0.026 0.000 2.209 352 E HA -0.343 3.993 4.350 -0.024 0.000 0.196 352 E C 1.567 178.142 176.600 -0.042 0.000 0.993 352 E CA 0.532 56.922 56.400 -0.015 0.000 0.819 352 E CB 0.022 29.726 29.700 0.007 0.000 0.745 352 E HN 0.261 nan 8.360 nan 0.000 0.477 353 R N 1.473 121.947 120.500 -0.043 0.000 2.096 353 R HA -0.144 4.182 4.340 -0.024 0.000 0.229 353 R C 1.689 177.956 176.300 -0.054 0.000 1.134 353 R CA 2.643 58.716 56.100 -0.044 0.000 0.917 353 R CB -0.998 29.277 30.300 -0.041 0.000 0.832 353 R HN 0.365 nan 8.270 nan 0.000 0.430 354 N N -0.762 117.900 118.700 -0.063 0.000 2.166 354 N HA -0.129 4.597 4.740 -0.024 0.000 0.186 354 N C 1.633 177.098 175.510 -0.075 0.000 1.019 354 N CA 1.204 54.213 53.050 -0.068 0.000 0.856 354 N CB 0.009 38.442 38.487 -0.091 0.000 0.993 354 N HN -0.006 nan 8.380 nan 0.000 0.426 355 V N 1.680 121.529 119.914 -0.109 0.000 2.332 355 V HA -0.247 3.859 4.120 -0.024 0.000 0.248 355 V C 2.451 178.437 176.094 -0.181 0.000 1.055 355 V CA 1.476 63.661 62.300 -0.190 0.000 1.038 355 V CB -0.441 31.244 31.823 -0.229 0.000 0.651 355 V HN 0.308 nan 8.190 nan 0.000 0.450 356 K N 0.466 120.789 120.400 -0.129 0.000 2.032 356 K HA -0.214 4.092 4.320 -0.024 0.000 0.209 356 K C 2.183 178.727 176.600 -0.094 0.000 1.048 356 K CA 1.767 57.985 56.287 -0.115 0.000 0.927 356 K CB -0.197 32.259 32.500 -0.074 0.000 0.712 356 K HN 0.464 nan 8.250 nan 0.000 0.441 357 K N -0.692 119.675 120.400 -0.055 0.000 2.097 357 K HA -0.123 4.183 4.320 -0.024 0.000 0.205 357 K C 2.068 178.659 176.600 -0.015 0.000 1.050 357 K CA 1.141 57.407 56.287 -0.034 0.000 0.938 357 K CB -0.242 32.249 32.500 -0.014 0.000 0.718 357 K HN 0.082 nan 8.250 nan 0.000 0.442 358 F N 1.382 121.229 119.950 -0.172 0.000 2.206 358 F HA -0.025 4.487 4.527 -0.024 0.000 0.298 358 F C 1.436 177.112 175.800 -0.207 0.000 1.090 358 F CA 1.041 58.933 58.000 -0.181 0.000 1.323 358 F CB 0.064 38.933 39.000 -0.219 0.000 1.028 358 F HN -0.133 nan 8.300 nan 0.000 0.492 359 L N 0.165 121.198 121.223 -0.316 0.000 2.612 359 L HA 0.033 4.359 4.340 -0.024 0.000 0.230 359 L C 1.814 178.523 176.870 -0.270 0.000 1.140 359 L CA 0.731 55.323 54.840 -0.413 0.000 0.896 359 L CB -0.536 41.257 42.059 -0.445 0.000 1.065 359 L HN 0.297 nan 8.230 nan 0.000 0.447 360 S N -1.489 114.086 115.700 -0.209 0.000 2.540 360 S HA 0.153 4.609 4.470 -0.024 0.000 0.218 360 S C 0.802 175.324 174.600 -0.130 0.000 0.977 360 S CA -0.558 57.558 58.200 -0.139 0.000 0.918 360 S CB 0.149 63.291 63.200 -0.096 0.000 0.806 360 S HN 0.258 nan 8.310 nan 0.000 0.496 361 R N 2.751 123.144 120.500 -0.178 0.000 2.297 361 R HA 0.304 4.630 4.340 -0.024 0.000 0.308 361 R C -0.900 175.324 176.300 -0.125 0.000 1.029 361 R CA -0.580 55.436 56.100 -0.140 0.000 0.929 361 R CB 0.418 30.627 30.300 -0.152 0.000 1.046 361 R HN 0.436 nan 8.270 nan 0.000 0.461 362 N N 2.756 121.406 118.700 -0.082 0.000 2.347 362 N HA -0.075 4.651 4.740 -0.024 0.000 0.278 362 N C -0.575 174.895 175.510 -0.066 0.000 1.367 362 N CA 0.225 53.236 53.050 -0.065 0.000 0.898 362 N CB 0.279 38.739 38.487 -0.047 0.000 1.203 362 N HN 0.329 nan 8.380 nan 0.000 0.491 363 R N 1.172 121.632 120.500 -0.068 0.000 2.750 363 R HA 0.642 4.968 4.340 -0.024 0.000 0.281 363 R C 0.561 176.824 176.300 -0.063 0.000 0.972 363 R CA -0.582 55.490 56.100 -0.048 0.000 0.912 363 R CB 1.315 31.590 30.300 -0.042 0.000 1.187 363 R HN 0.531 nan 8.270 nan 0.000 0.464 364 A N 2.987 125.751 122.820 -0.094 0.000 1.898 364 A HA 0.088 4.394 4.320 -0.024 0.000 0.216 364 A C -0.033 177.272 177.584 -0.465 0.000 1.181 364 A CA 1.149 52.990 52.037 -0.328 0.000 0.620 364 A CB -0.233 18.486 19.000 -0.468 0.000 0.819 364 A HN 0.460 nan 8.150 nan 0.000 0.442 365 F N -1.932 118.066 119.950 0.080 0.000 2.556 365 F HA 0.622 5.135 4.527 -0.024 0.000 0.327 365 F C 0.342 176.248 175.800 0.177 0.000 1.059 365 F CA -1.238 56.846 58.000 0.140 0.000 0.953 365 F CB 1.045 40.171 39.000 0.211 0.000 1.227 365 F HN -0.047 nan 8.300 nan 0.000 0.478 366 R N 3.778 124.518 120.500 0.401 0.000 2.401 366 R HA 0.320 4.646 4.340 -0.024 0.000 0.299 366 R C -2.659 173.875 176.300 0.391 0.000 1.064 366 R CA -1.772 54.514 56.100 0.310 0.000 1.000 366 R CB -0.034 30.422 30.300 0.260 0.000 0.973 366 R HN 0.280 nan 8.270 nan 0.000 0.438 367 P HA 0.187 nan 4.420 nan 0.000 0.274 367 P C -1.037 176.577 177.300 0.523 0.000 1.246 367 P CA -0.129 63.193 63.100 0.370 0.000 0.795 367 P CB 0.394 32.249 31.700 0.258 0.000 1.006 368 F N -1.616 118.464 119.950 0.216 0.000 2.650 368 F HA 0.675 5.187 4.527 -0.024 0.000 0.320 368 F C -0.841 174.853 175.800 -0.176 0.000 1.091 368 F CA -1.762 56.227 58.000 -0.018 0.000 0.962 368 F CB 0.543 39.505 39.000 -0.064 0.000 1.363 368 F HN 0.026 nan 8.300 nan 0.000 0.482 369 I N 1.267 121.605 120.570 -0.387 0.000 2.359 369 I HA 0.431 4.587 4.170 -0.024 0.000 0.294 369 I C -0.786 175.290 176.117 -0.068 0.000 0.987 369 I CA -0.400 60.611 61.300 -0.483 0.000 1.225 369 I CB 1.763 39.333 38.000 -0.715 0.000 1.366 369 I HN 0.770 nan 8.210 nan 0.000 0.466 370 E N 6.599 126.834 120.200 0.058 0.000 2.278 370 E HA 0.228 4.564 4.350 -0.024 0.000 0.272 370 E C -0.819 175.885 176.600 0.173 0.000 0.890 370 E CA -0.580 55.883 56.400 0.106 0.000 0.770 370 E CB 0.987 30.687 29.700 -0.000 0.000 1.212 370 E HN 0.608 nan 8.360 nan 0.000 0.415 371 N N 3.206 121.955 118.700 0.082 0.000 2.716 371 N HA -0.270 4.456 4.740 -0.024 0.000 0.250 371 N C 0.642 176.227 175.510 0.124 0.000 1.033 371 N CA 1.616 54.722 53.050 0.094 0.000 0.727 371 N CB -1.122 37.431 38.487 0.111 0.000 0.950 371 N HN 1.010 nan 8.380 nan 0.000 0.541 372 G N -0.717 108.137 108.800 0.090 0.000 2.253 372 G HA2 -0.359 3.587 3.960 -0.024 0.000 0.251 372 G HA3 -0.359 3.587 3.960 -0.024 0.000 0.251 372 G C 0.059 175.084 174.900 0.209 0.000 0.998 372 G CA 0.736 45.946 45.100 0.184 0.000 0.621 372 G HN 0.849 nan 8.290 nan 0.000 0.524 373 R N -1.072 119.485 120.500 0.094 0.000 2.854 373 R HA 0.671 4.997 4.340 -0.024 0.000 0.271 373 R C -0.655 175.538 176.300 -0.179 0.000 0.994 373 R CA -1.217 54.853 56.100 -0.050 0.000 0.945 373 R CB 1.109 31.262 30.300 -0.245 0.000 1.194 373 R HN 0.110 nan 8.270 nan 0.000 0.476 374 W N 0.701 121.779 121.300 -0.370 0.000 2.237 374 W HA 0.376 5.022 4.660 -0.024 0.000 0.335 374 W C -0.692 175.397 176.519 -0.716 0.000 1.230 374 W CA 0.358 57.507 57.345 -0.326 0.000 1.253 374 W CB 0.767 30.156 29.460 -0.119 0.000 1.129 374 W HN 0.475 nan 8.180 nan 0.000 0.590 375 W N 0.838 122.037 121.300 -0.169 0.000 3.083 375 W HA 0.692 5.338 4.660 -0.024 0.000 0.333 375 W C -0.662 175.744 176.519 -0.189 0.000 1.217 375 W CA -1.245 55.909 57.345 -0.318 0.000 1.170 375 W CB 0.960 29.962 29.460 -0.764 0.000 1.437 375 W HN 0.443 nan 8.180 nan 0.000 0.557 376 A N 1.372 124.343 122.820 0.251 0.000 2.454 376 A HA 0.881 5.186 4.320 -0.024 0.000 0.302 376 A C -1.732 175.852 177.584 0.000 0.000 1.079 376 A CA -0.793 51.302 52.037 0.096 0.000 0.731 376 A CB 0.875 19.894 19.000 0.032 0.000 1.299 376 A HN 0.537 nan 8.150 nan 0.000 0.413 377 F N 0.472 120.536 119.950 0.189 0.000 2.371 377 F HA 0.592 5.104 4.527 -0.024 0.000 0.329 377 F C 0.853 176.602 175.800 -0.085 0.000 1.107 377 F CA 0.392 58.414 58.000 0.038 0.000 1.137 377 F CB 1.407 40.428 39.000 0.034 0.000 1.214 377 F HN 0.678 nan 8.300 nan 0.000 0.536 378 E N 1.086 121.218 120.200 -0.114 0.000 2.430 378 E HA 0.390 4.725 4.350 -0.024 0.000 0.279 378 E C -1.338 175.191 176.600 -0.118 0.000 1.003 378 E CA -1.042 55.219 56.400 -0.231 0.000 0.801 378 E CB 1.802 31.191 29.700 -0.519 0.000 1.313 378 E HN 0.281 nan 8.360 nan 0.000 0.459 379 M N 1.273 120.936 119.600 0.105 0.000 2.367 379 M HA 0.475 4.941 4.480 -0.024 0.000 0.339 379 M C -0.036 176.459 176.300 0.324 0.000 1.177 379 M CA -0.267 55.161 55.300 0.214 0.000 1.068 379 M CB 0.753 33.442 32.600 0.149 0.000 1.602 379 M HN 0.378 nan 8.290 nan 0.000 0.457 380 R N 0.947 121.587 120.500 0.234 0.000 2.532 380 R HA 0.344 4.670 4.340 -0.024 0.000 0.272 380 R C 0.824 177.065 176.300 -0.099 0.000 1.032 380 R CA -0.742 55.354 56.100 -0.007 0.000 1.089 380 R CB 1.208 31.424 30.300 -0.141 0.000 1.098 380 R HN 0.432 nan 8.270 nan 0.000 0.526 381 K N 1.292 121.498 120.400 -0.324 0.000 2.393 381 K HA 0.118 4.424 4.320 -0.024 0.000 0.193 381 K C -0.350 176.239 176.600 -0.018 0.000 1.026 381 K CA 0.503 56.699 56.287 -0.151 0.000 1.064 381 K CB 0.208 32.657 32.500 -0.085 0.000 0.833 381 K HN 0.367 nan 8.250 nan 0.000 0.521 382 F N -2.495 117.536 119.950 0.134 0.000 2.665 382 F HA 0.275 4.788 4.527 -0.024 0.000 0.308 382 F C 0.377 176.285 175.800 0.181 0.000 1.112 382 F CA -1.220 56.865 58.000 0.141 0.000 0.972 382 F CB 0.704 39.796 39.000 0.154 0.000 1.295 382 F HN -0.179 nan 8.300 nan 0.000 0.440 383 T N -2.519 112.292 114.554 0.429 0.000 3.043 383 T HA 0.360 4.696 4.350 -0.024 0.000 0.272 383 T C 0.156 175.110 174.700 0.422 0.000 0.990 383 T CA 0.587 62.916 62.100 0.383 0.000 0.897 383 T CB -0.402 68.591 68.868 0.209 0.000 1.111 383 T HN 1.042 nan 8.240 nan 0.000 0.529 384 T N -1.242 113.458 114.554 0.243 0.000 2.916 384 T HA 0.601 4.937 4.350 -0.024 0.000 0.292 384 T C -2.468 171.808 174.700 -0.707 0.000 1.055 384 T CA -1.893 60.166 62.100 -0.068 0.000 1.009 384 T CB 2.077 70.882 68.868 -0.105 0.000 1.118 384 T HN -0.329 nan 8.240 nan 0.000 0.497 385 P HA -0.079 nan 4.420 nan 0.000 0.214 385 P C 1.215 177.925 177.300 -0.982 0.000 1.163 385 P CA 1.206 63.488 63.100 -1.362 0.000 0.883 385 P CB 0.056 31.372 31.700 -0.641 0.000 0.788 386 E N -0.166 119.442 120.200 -0.987 0.000 2.097 386 E HA -0.226 4.110 4.350 -0.024 0.000 0.196 386 E C 2.011 178.315 176.600 -0.493 0.000 1.000 386 E CA 1.343 57.202 56.400 -0.902 0.000 0.804 386 E CB -0.672 28.627 29.700 -0.669 0.000 0.740 386 E HN 0.394 nan 8.360 nan 0.000 0.454 387 E N -0.162 119.815 120.200 -0.371 0.000 2.058 387 E HA -0.177 4.159 4.350 -0.024 0.000 0.194 387 E C 2.233 178.616 176.600 -0.362 0.000 0.997 387 E CA 1.077 57.348 56.400 -0.215 0.000 0.801 387 E CB -0.344 29.337 29.700 -0.031 0.000 0.746 387 E HN 0.392 nan 8.360 nan 0.000 0.450 388 G N 0.479 108.886 108.800 -0.654 0.000 2.446 388 G HA2 -0.256 3.690 3.960 -0.024 0.000 0.217 388 G HA3 -0.256 3.690 3.960 -0.024 0.000 0.217 388 G C 1.691 176.388 174.900 -0.339 0.000 1.168 388 G CA 0.965 45.511 45.100 -0.923 0.000 0.771 388 G HN 0.164 nan 8.290 nan 0.000 0.551 389 V N 0.750 120.527 119.914 -0.229 0.000 2.490 389 V HA -0.117 3.988 4.120 -0.024 0.000 0.250 389 V C 2.745 178.747 176.094 -0.153 0.000 1.061 389 V CA 1.853 64.052 62.300 -0.169 0.000 1.064 389 V CB -0.450 31.317 31.823 -0.093 0.000 0.670 389 V HN 0.385 nan 8.190 nan 0.000 0.461 390 R N 0.028 120.469 120.500 -0.097 0.000 2.075 390 R HA -0.161 4.165 4.340 -0.024 0.000 0.232 390 R C 2.611 178.960 176.300 0.080 0.000 1.126 390 R CA 1.872 58.033 56.100 0.102 0.000 0.963 390 R CB -0.352 29.978 30.300 0.050 0.000 0.858 390 R HN 0.501 nan 8.270 nan 0.000 0.435 391 S N -0.355 115.321 115.700 -0.040 0.000 2.338 391 S HA -0.196 4.260 4.470 -0.024 0.000 0.218 391 S C 1.879 176.431 174.600 -0.080 0.000 1.032 391 S CA 1.151 59.357 58.200 0.009 0.000 0.999 391 S CB -0.595 62.657 63.200 0.086 0.000 0.905 391 S HN 0.516 nan 8.310 nan 0.000 0.439 392 Y N 2.289 122.306 120.300 -0.471 0.000 2.081 392 Y HA -0.155 4.381 4.550 -0.024 0.000 0.280 392 Y C 2.539 178.187 175.900 -0.421 0.000 1.163 392 Y CA 1.688 59.345 58.100 -0.737 0.000 1.135 392 Y CB -1.145 36.352 38.460 -1.605 0.000 0.970 392 Y HN 0.330 nan 8.280 nan 0.000 0.498 393 A N -1.006 121.531 122.820 -0.472 0.000 1.902 393 A HA -0.190 4.116 4.320 -0.024 0.000 0.217 393 A C 2.431 179.828 177.584 -0.312 0.000 1.181 393 A CA 2.116 53.811 52.037 -0.570 0.000 0.623 393 A CB -1.152 17.273 19.000 -0.958 0.000 0.818 393 A HN 0.507 nan 8.150 nan 0.000 0.443 394 S N -1.467 114.219 115.700 -0.023 0.000 2.383 394 S HA -0.099 4.357 4.470 -0.024 0.000 0.227 394 S C 1.991 176.740 174.600 0.247 0.000 1.026 394 S CA 1.703 60.058 58.200 0.258 0.000 0.981 394 S CB -0.276 63.090 63.200 0.277 0.000 0.818 394 S HN 0.695 nan 8.310 nan 0.000 0.472 395 T N -0.117 114.509 114.554 0.120 0.000 3.060 395 T HA 0.121 4.456 4.350 -0.024 0.000 0.249 395 T C 0.604 175.292 174.700 -0.019 0.000 1.079 395 T CA 0.171 62.355 62.100 0.140 0.000 1.013 395 T CB -0.073 68.896 68.868 0.168 0.000 0.975 395 T HN 0.494 nan 8.240 nan 0.000 0.518 396 H N -0.291 118.522 119.070 -0.428 0.000 2.885 396 H HA 0.116 4.658 4.556 -0.024 0.000 0.254 396 H C 1.387 176.329 175.328 -0.644 0.000 1.185 396 H CA -0.377 55.280 56.048 -0.651 0.000 1.029 396 H CB 0.148 29.320 29.762 -0.984 0.000 1.743 396 H HN 0.536 nan 8.280 nan 0.000 0.632 397 W N 0.764 121.941 121.300 -0.206 0.000 2.276 397 W HA -0.229 4.417 4.660 -0.024 0.000 0.307 397 W C 0.861 177.313 176.519 -0.112 0.000 1.240 397 W CA 0.789 58.017 57.345 -0.193 0.000 1.249 397 W CB -1.235 28.151 29.460 -0.125 0.000 1.140 397 W HN 0.282 nan 8.180 nan 0.000 0.519 398 H N 0.739 119.058 119.070 -1.250 0.000 1.891 398 H HA -0.097 4.445 4.556 -0.023 0.000 0.317 398 H C 1.236 176.277 175.328 -0.478 0.000 1.932 398 H CA 2.028 57.505 56.048 -0.951 0.000 1.369 398 H CB 0.215 29.246 29.762 -1.219 0.000 1.690 398 H HN -0.104 nan 8.280 nan 0.000 0.527 399 T N -0.120 114.120 114.554 -0.523 0.000 4.358 399 T HA -0.196 4.140 4.350 -0.024 0.000 0.338 399 T C 0.408 174.991 174.700 -0.195 0.000 0.805 399 T CA 1.320 63.244 62.100 -0.293 0.000 1.909 399 T CB -1.154 67.630 68.868 -0.139 0.000 2.045 399 T HN 0.419 nan 8.240 nan 0.000 0.835 400 L N -0.115 120.971 121.223 -0.227 0.000 3.366 400 L HA 0.508 4.833 4.340 -0.024 0.000 0.304 400 L C 0.830 177.600 176.870 -0.167 0.000 1.292 400 L CA -0.165 54.583 54.840 -0.153 0.000 1.012 400 L CB 0.481 42.443 42.059 -0.161 0.000 1.414 400 L HN 0.494 nan 8.230 nan 0.000 0.603 401 G N 0.598 109.285 108.800 -0.189 0.000 2.770 401 G HA2 -0.181 3.765 3.960 -0.024 0.000 0.686 401 G HA3 -0.181 3.765 3.960 -0.024 0.000 0.686 401 G C -0.096 174.702 174.900 -0.169 0.000 1.180 401 G CA -0.380 44.621 45.100 -0.166 0.000 0.767 401 G HN 0.072 nan 8.290 nan 0.000 0.646 402 K N 0.788 121.103 120.400 -0.142 0.000 1.991 402 K HA -0.053 4.253 4.320 -0.024 0.000 0.212 402 K C 2.443 179.023 176.600 -0.032 0.000 1.049 402 K CA 2.514 58.744 56.287 -0.095 0.000 0.932 402 K CB -0.250 32.211 32.500 -0.066 0.000 0.717 402 K HN 0.510 nan 8.250 nan 0.000 0.441 403 N N -0.262 118.412 118.700 -0.042 0.000 2.148 403 N HA -0.100 4.626 4.740 -0.024 0.000 0.186 403 N C 1.923 177.409 175.510 -0.040 0.000 1.031 403 N CA 1.306 54.343 53.050 -0.021 0.000 0.848 403 N CB -0.578 37.895 38.487 -0.023 0.000 1.005 403 N HN -0.042 nan 8.380 nan 0.000 0.427 404 V N 1.639 121.500 119.914 -0.087 0.000 2.252 404 V HA -0.226 3.880 4.120 -0.024 0.000 0.249 404 V C 2.534 178.471 176.094 -0.262 0.000 1.056 404 V CA 2.272 64.459 62.300 -0.188 0.000 1.022 404 V CB -1.355 30.350 31.823 -0.197 0.000 0.641 404 V HN 0.395 nan 8.190 nan 0.000 0.445 405 G N -1.081 107.631 108.800 -0.147 0.000 2.440 405 G HA2 -0.259 3.686 3.960 -0.024 0.000 0.218 405 G HA3 -0.259 3.686 3.960 -0.024 0.000 0.218 405 G C 1.469 176.467 174.900 0.164 0.000 1.154 405 G CA 0.906 45.985 45.100 -0.035 0.000 0.767 405 G HN 0.574 nan 8.290 nan 0.000 0.552 406 E N 0.025 120.321 120.200 0.159 0.000 2.204 406 E HA -0.089 4.247 4.350 -0.024 0.000 0.195 406 E C 2.625 179.239 176.600 0.024 0.000 0.990 406 E CA 0.918 57.406 56.400 0.147 0.000 0.821 406 E CB -0.039 29.729 29.700 0.113 0.000 0.750 406 E HN 0.435 nan 8.360 nan 0.000 0.477 407 S N 0.235 115.932 115.700 -0.005 0.000 2.395 407 S HA -0.040 4.416 4.470 -0.024 0.000 0.225 407 S C 1.903 176.518 174.600 0.024 0.000 1.027 407 S CA 0.432 58.650 58.200 0.031 0.000 0.965 407 S CB -0.026 63.227 63.200 0.089 0.000 0.812 407 S HN 0.184 nan 8.310 nan 0.000 0.482 408 I N 1.457 121.955 120.570 -0.119 0.000 2.394 408 I HA -0.117 4.038 4.170 -0.024 0.000 0.251 408 I C 2.782 178.950 176.117 0.084 0.000 1.136 408 I CA 1.063 62.320 61.300 -0.073 0.000 1.425 408 I CB -0.344 37.478 38.000 -0.296 0.000 1.079 408 I HN 0.341 nan 8.210 nan 0.000 0.425 409 R N 1.734 122.219 120.500 -0.026 0.000 2.096 409 R HA -0.218 4.108 4.340 -0.024 0.000 0.235 409 R C 2.057 178.235 176.300 -0.203 0.000 1.127 409 R CA 2.067 57.977 56.100 -0.317 0.000 0.968 409 R CB -0.145 29.570 30.300 -0.974 0.000 0.861 409 R HN 0.581 nan 8.270 nan 0.000 0.440 410 E N -1.754 118.392 120.200 -0.089 0.000 2.318 410 E HA -0.113 4.223 4.350 -0.024 0.000 0.193 410 E C -0.250 176.431 176.600 0.135 0.000 0.998 410 E CA 0.306 56.698 56.400 -0.014 0.000 0.859 410 E CB 0.111 29.810 29.700 -0.001 0.000 0.812 410 E HN 0.379 nan 8.360 nan 0.000 0.492 411 Y N -0.005 120.326 120.300 0.052 0.000 2.457 411 Y HA 0.400 4.936 4.550 -0.024 0.000 0.322 411 Y C -2.022 174.022 175.900 0.240 0.000 1.218 411 Y CA -1.470 56.674 58.100 0.074 0.000 1.116 411 Y CB 1.240 39.741 38.460 0.068 0.000 1.335 411 Y HN 0.063 nan 8.280 nan 0.000 0.452 412 F N 3.775 123.092 119.950 -1.056 0.000 2.769 412 F HA 0.703 5.216 4.527 -0.024 0.000 0.313 412 F C -2.204 173.241 175.800 -0.592 0.000 1.146 412 F CA -0.548 56.964 58.000 -0.813 0.000 0.934 412 F CB 1.191 40.032 39.000 -0.265 0.000 1.283 412 F HN 0.618 nan 8.300 nan 0.000 0.443 413 E N 2.489 122.577 120.200 -0.186 0.000 2.430 413 E HA 0.687 5.022 4.350 -0.024 0.000 0.279 413 E C -1.955 174.735 176.600 0.151 0.000 1.003 413 E CA -1.152 55.162 56.400 -0.143 0.000 0.801 413 E CB 2.944 32.562 29.700 -0.137 0.000 1.313 413 E HN 0.728 nan 8.360 nan 0.000 0.459 414 I N 2.011 122.644 120.570 0.104 0.000 2.355 414 I HA 0.312 4.468 4.170 -0.024 0.000 0.288 414 I C -0.675 175.495 176.117 0.088 0.000 0.999 414 I CA -1.112 60.277 61.300 0.147 0.000 1.163 414 I CB 1.038 39.082 38.000 0.073 0.000 1.316 414 I HN 0.408 nan 8.210 nan 0.000 0.454 415 I N 4.891 125.542 120.570 0.135 0.000 2.392 415 I HA 0.471 4.627 4.170 -0.024 0.000 0.295 415 I C 0.222 176.384 176.117 0.075 0.000 0.985 415 I CA -0.239 61.105 61.300 0.074 0.000 1.221 415 I CB 1.382 39.426 38.000 0.073 0.000 1.366 415 I HN 0.498 nan 8.210 nan 0.000 0.467 416 S N 3.056 118.752 115.700 -0.006 0.000 2.579 416 S HA 0.820 5.275 4.470 -0.024 0.000 0.272 416 S C -0.070 174.441 174.600 -0.148 0.000 1.141 416 S CA 0.363 58.542 58.200 -0.036 0.000 0.843 416 S CB 1.647 64.853 63.200 0.010 0.000 1.122 416 S HN 1.383 nan 8.310 nan 0.000 0.468 417 G N 3.371 112.030 108.800 -0.236 0.000 2.569 417 G HA2 -0.236 3.710 3.960 -0.024 0.000 0.259 417 G HA3 -0.236 3.710 3.960 -0.024 0.000 0.259 417 G C 0.512 175.097 174.900 -0.524 0.000 1.263 417 G CA 0.582 45.513 45.100 -0.281 0.000 0.928 417 G HN 0.796 nan 8.290 nan 0.000 0.572 418 E N 0.422 120.525 120.200 -0.161 0.000 2.086 418 E HA -0.230 4.106 4.350 -0.024 0.000 0.205 418 E C 2.426 178.962 176.600 -0.107 0.000 1.027 418 E CA 1.913 58.312 56.400 -0.001 0.000 0.830 418 E CB -0.375 29.375 29.700 0.083 0.000 0.751 418 E HN 0.567 nan 8.360 nan 0.000 0.456 419 K N 0.502 120.836 120.400 -0.110 0.000 2.218 419 K HA -0.148 4.158 4.320 -0.024 0.000 0.205 419 K C 2.209 178.736 176.600 -0.121 0.000 1.046 419 K CA 0.596 56.835 56.287 -0.080 0.000 0.933 419 K CB -0.443 32.023 32.500 -0.056 0.000 0.728 419 K HN 0.160 nan 8.250 nan 0.000 0.454 420 L N -0.216 120.841 121.223 -0.277 0.000 2.162 420 L HA 0.075 4.401 4.340 -0.024 0.000 0.205 420 L C 1.838 178.592 176.870 -0.193 0.000 1.086 420 L CA 1.104 55.785 54.840 -0.265 0.000 0.778 420 L CB -0.333 41.519 42.059 -0.345 0.000 0.928 420 L HN -0.000 nan 8.230 nan 0.000 0.446 421 F N -0.195 119.753 119.950 -0.003 0.000 2.546 421 F HA -0.094 4.419 4.527 -0.024 0.000 0.298 421 F C 1.904 177.690 175.800 -0.024 0.000 1.120 421 F CA 0.495 58.484 58.000 -0.017 0.000 1.456 421 F CB -0.353 38.644 39.000 -0.006 0.000 1.088 421 F HN 0.062 nan 8.300 nan 0.000 0.572 422 K N -0.334 120.128 120.400 0.104 0.000 2.393 422 K HA 0.036 4.342 4.320 -0.024 0.000 0.193 422 K C 0.481 177.091 176.600 0.018 0.000 1.026 422 K CA 0.126 56.451 56.287 0.062 0.000 1.064 422 K CB 0.191 32.720 32.500 0.048 0.000 0.833 422 K HN 0.060 nan 8.250 nan 0.000 0.521 423 E N 0.986 121.173 120.200 -0.023 0.000 2.349 423 E HA 0.087 4.423 4.350 -0.024 0.000 0.262 423 E C -2.175 174.337 176.600 -0.147 0.000 1.088 423 E CA -2.253 54.091 56.400 -0.094 0.000 0.899 423 E CB 0.529 30.127 29.700 -0.170 0.000 1.044 423 E HN -0.162 nan 8.360 nan 0.000 0.420 424 P HA -0.028 nan 4.420 nan 0.000 0.269 424 P C 0.616 177.773 177.300 -0.238 0.000 1.461 424 P CA 0.380 63.383 63.100 -0.163 0.000 0.809 424 P CB -0.145 31.509 31.700 -0.077 0.000 1.503 425 V N -4.773 114.969 119.914 -0.286 0.000 3.214 425 V HA 0.076 4.182 4.120 -0.024 0.000 0.330 425 V C 1.805 177.843 176.094 -0.093 0.000 1.403 425 V CA 0.585 62.747 62.300 -0.230 0.000 1.143 425 V CB -0.987 30.642 31.823 -0.323 0.000 1.098 425 V HN 0.136 nan 8.190 nan 0.000 0.463 426 T N -1.171 113.356 114.554 -0.045 0.000 2.746 426 T HA -0.092 4.243 4.350 -0.024 0.000 0.267 426 T C 1.991 176.681 174.700 -0.017 0.000 1.039 426 T CA 1.883 63.983 62.100 -0.000 0.000 1.142 426 T CB -0.454 68.421 68.868 0.011 0.000 0.866 426 T HN 0.818 nan 8.240 nan 0.000 0.444 427 A N 1.841 124.645 122.820 -0.026 0.000 1.902 427 A HA -0.056 4.250 4.320 -0.024 0.000 0.217 427 A C 2.268 179.830 177.584 -0.037 0.000 1.181 427 A CA 1.792 53.813 52.037 -0.026 0.000 0.623 427 A CB -0.719 18.270 19.000 -0.018 0.000 0.818 427 A HN 0.563 nan 8.150 nan 0.000 0.443 428 E N 0.183 120.354 120.200 -0.048 0.000 2.072 428 E HA -0.078 4.258 4.350 -0.024 0.000 0.191 428 E C 1.905 178.465 176.600 -0.065 0.000 0.985 428 E CA 0.870 57.228 56.400 -0.070 0.000 0.801 428 E CB -0.374 29.275 29.700 -0.084 0.000 0.750 428 E HN 0.608 nan 8.360 nan 0.000 0.452 429 L N -0.120 121.078 121.223 -0.043 0.000 2.083 429 L HA -0.231 4.095 4.340 -0.024 0.000 0.209 429 L C 2.232 179.094 176.870 -0.014 0.000 1.083 429 L CA 0.843 55.673 54.840 -0.017 0.000 0.752 429 L CB -0.336 41.745 42.059 0.036 0.000 0.899 429 L HN 0.315 nan 8.230 nan 0.000 0.433 430 C N -0.437 118.851 119.300 -0.020 0.000 2.453 430 C HA -0.138 4.307 4.460 -0.024 0.000 0.277 430 C C 2.743 177.714 174.990 -0.031 0.000 1.262 430 C CA 0.785 59.787 59.018 -0.025 0.000 1.718 430 C CB -0.422 27.300 27.740 -0.030 0.000 2.031 430 C HN 0.518 nan 8.230 nan 0.000 0.480 431 E N 0.800 120.976 120.200 -0.040 0.000 2.097 431 E HA -0.243 4.092 4.350 -0.024 0.000 0.196 431 E C 2.105 178.674 176.600 -0.052 0.000 1.000 431 E CA 1.550 57.921 56.400 -0.048 0.000 0.804 431 E CB -0.468 29.195 29.700 -0.061 0.000 0.740 431 E HN 0.597 nan 8.360 nan 0.000 0.454 432 M N -0.827 118.739 119.600 -0.057 0.000 2.132 432 M HA -0.114 4.352 4.480 -0.024 0.000 0.263 432 M C 1.751 178.034 176.300 -0.027 0.000 1.065 432 M CA 1.531 56.797 55.300 -0.056 0.000 1.122 432 M CB 0.021 32.581 32.600 -0.067 0.000 1.365 432 M HN 0.193 nan 8.290 nan 0.000 0.411 433 M N -0.633 118.958 119.600 -0.015 0.000 2.595 433 M HA 0.139 4.604 4.480 -0.024 0.000 0.248 433 M C 0.936 177.232 176.300 -0.007 0.000 1.119 433 M CA 0.700 55.999 55.300 -0.001 0.000 1.079 433 M CB 0.016 32.621 32.600 0.008 0.000 1.472 433 M HN 0.564 nan 8.290 nan 0.000 0.501 434 G N 1.684 110.473 108.800 -0.018 0.000 2.272 434 G HA2 -0.196 3.750 3.960 -0.024 0.000 0.280 434 G HA3 -0.196 3.750 3.960 -0.024 0.000 0.280 434 G C -0.089 174.800 174.900 -0.019 0.000 1.067 434 G CA -0.328 44.760 45.100 -0.020 0.000 0.902 434 G HN 0.313 nan 8.290 nan 0.000 0.500 435 V N 0.986 120.887 119.914 -0.022 0.000 2.572 435 V HA 0.374 4.479 4.120 -0.024 0.000 0.291 435 V C 0.971 177.048 176.094 -0.028 0.000 1.039 435 V CA 0.849 63.134 62.300 -0.025 0.000 1.055 435 V CB 1.186 32.990 31.823 -0.032 0.000 0.969 435 V HN 0.655 nan 8.190 nan 0.000 0.482 436 K N 3.482 123.866 120.400 -0.027 0.000 2.244 436 K HA 0.854 5.160 4.320 -0.024 0.000 0.260 436 K C -1.103 175.476 176.600 -0.036 0.000 0.951 436 K CA -0.723 55.546 56.287 -0.029 0.000 0.826 436 K CB 2.277 34.763 32.500 -0.023 0.000 1.108 436 K HN 0.606 nan 8.250 nan 0.000 0.433 437 D N 0.000 120.374 120.400 -0.043 0.000 6.856 437 D HA 0.000 4.626 4.640 -0.024 0.000 0.175 437 D CA 0.000 53.967 54.000 -0.055 0.000 0.868 437 D CB 0.000 40.770 40.800 -0.051 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683