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 3iwk_1_A DATA FIRST_RESID 7 DATA SEQUENCE SRQLFIDGEW RVPILNKRIP NINPSTENII GDIPAATKED VDLAVDAAKR DATA SEQUENCE AISRKNGRDW SAASGSLRAR YLRAIAAKIK EKKDELGKLE SIDCGKPLEE DATA SEQUENCE ALADLDDVVA CFEYYAGLAE ELDSKQKAPI SLPMDTFKSY ILKEPIGVVA DATA SEQUENCE LITPWNYPFL MATWKIAPAL AAGCAAILKP SELASVTCLE LGEICKEVGL DATA SEQUENCE PRGVLNIVTG LGHEAGASLA SHPDVDKISF TGSSATGSKI MTTAAQLVKP DATA SEQUENCE VSLELGGKSP IVVFEDVDLD KVAEWTVFGC FFTNGQICSA TSRLIVHESI DATA SEQUENCE AVEFVDKLVK WAENIKISDP LEEGCRLGPI VSEAQYKKVL NCISSAKSEG DATA SEQUENCE ATILTGGRRP EHLKKGYFVE PTIITDVTTS MQIWREEVFG PVLAVKTFST DATA SEQUENCE EEEAINLAND THYGLGSAVM SNDLERCERL SKALQAGIVW INCAQPSFIQ DATA SEQUENCE APWGGIKRSG FGRELGEWGL ENYLSVKQVT RYTSDEPWGW YQPPSK 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.426 174.600 -0.291 0.000 1.055 7 S CA 0.000 58.086 58.200 -0.190 0.000 1.107 7 S CB 0.000 63.120 63.200 -0.133 0.000 0.593 8 R N 1.031 121.328 120.500 -0.338 0.000 2.582 8 R HA 0.583 4.924 4.340 0.001 0.000 0.271 8 R C 0.174 176.310 176.300 -0.273 0.000 1.078 8 R CA -0.401 55.380 56.100 -0.532 0.000 1.127 8 R CB 0.145 30.144 30.300 -0.502 0.000 1.038 8 R HN 0.723 nan 8.270 nan 0.000 0.500 9 Q N 0.870 120.553 119.800 -0.193 0.000 3.018 9 Q HA 0.474 4.815 4.340 0.001 0.000 0.209 9 Q C 0.147 176.356 176.000 0.347 0.000 1.036 9 Q CA -0.994 54.873 55.803 0.107 0.000 0.886 9 Q CB 0.390 29.223 28.738 0.158 0.000 2.058 9 Q HN 0.370 nan 8.270 nan 0.000 0.452 10 L N 0.885 122.298 121.223 0.317 0.000 2.397 10 L HA 0.261 4.601 4.340 0.001 0.000 0.271 10 L C -0.093 177.006 176.870 0.383 0.000 1.148 10 L CA -0.319 54.702 54.840 0.302 0.000 0.825 10 L CB 0.022 42.169 42.059 0.146 0.000 1.117 10 L HN 0.336 nan 8.230 nan 0.000 0.456 11 F N 4.876 124.880 119.950 0.089 0.000 2.350 11 F HA 0.548 5.076 4.527 0.001 0.000 0.365 11 F C -0.272 175.422 175.800 -0.177 0.000 1.122 11 F CA -0.403 57.452 58.000 -0.242 0.000 1.139 11 F CB 0.230 38.978 39.000 -0.420 0.000 1.220 11 F HN 0.179 nan 8.300 nan 0.000 0.499 12 I N 5.287 125.512 120.570 -0.576 0.000 2.533 12 I HA 0.203 4.373 4.170 0.001 0.000 0.290 12 I C -0.206 175.573 176.117 -0.565 0.000 1.056 12 I CA -0.838 60.194 61.300 -0.446 0.000 1.057 12 I CB 1.832 39.708 38.000 -0.207 0.000 1.240 12 I HN 0.395 nan 8.210 nan 0.000 0.423 13 D N 4.602 124.711 120.400 -0.484 0.000 2.882 13 D HA -0.200 4.440 4.640 0.001 0.000 0.229 13 D C 0.961 176.982 176.300 -0.465 0.000 1.167 13 D CA 1.927 55.695 54.000 -0.386 0.000 0.759 13 D CB -0.714 39.937 40.800 -0.247 0.000 1.088 13 D HN 1.159 nan 8.370 nan 0.000 0.425 14 G N -0.889 107.434 108.800 -0.796 0.000 2.159 14 G HA2 -0.191 3.770 3.960 0.001 0.000 0.227 14 G HA3 -0.191 3.770 3.960 0.001 0.000 0.227 14 G C -0.034 174.516 174.900 -0.583 0.000 0.986 14 G CA 0.765 45.474 45.100 -0.652 0.000 0.651 14 G HN 0.740 nan 8.290 nan 0.000 0.523 15 E N -1.697 118.050 120.200 -0.755 0.000 2.454 15 E HA 0.635 4.985 4.350 0.001 0.000 0.279 15 E C -0.876 175.436 176.600 -0.480 0.000 1.029 15 E CA -1.363 54.748 56.400 -0.480 0.000 0.831 15 E CB 0.363 29.951 29.700 -0.187 0.000 1.405 15 E HN 0.257 nan 8.360 nan 0.000 0.463 16 W N 0.901 122.223 121.300 0.037 0.000 2.335 16 W HA 0.437 5.097 4.660 0.001 0.000 0.306 16 W C 0.233 176.754 176.519 0.003 0.000 1.216 16 W CA -0.529 56.853 57.345 0.062 0.000 1.237 16 W CB 0.864 30.375 29.460 0.085 0.000 1.243 16 W HN -0.020 nan 8.180 nan 0.000 0.493 17 R N 2.546 123.180 120.500 0.223 0.000 2.534 17 R HA 0.462 4.803 4.340 0.001 0.000 0.301 17 R C -0.877 175.497 176.300 0.122 0.000 0.961 17 R CA -1.133 55.037 56.100 0.117 0.000 0.871 17 R CB 1.986 32.304 30.300 0.030 0.000 1.170 17 R HN 0.216 nan 8.270 nan 0.000 0.446 18 V N 4.841 124.806 119.914 0.085 0.000 2.614 18 V HA 0.126 4.246 4.120 0.001 0.000 0.291 18 V C -1.649 174.472 176.094 0.045 0.000 1.049 18 V CA -1.410 60.927 62.300 0.061 0.000 1.038 18 V CB 0.779 32.626 31.823 0.040 0.000 0.980 18 V HN 0.629 nan 8.190 nan 0.000 0.481 19 P HA 0.064 nan 4.420 nan 0.000 0.265 19 P C 0.977 178.290 177.300 0.021 0.000 1.193 19 P CA -0.114 63.003 63.100 0.030 0.000 0.765 19 P CB 0.683 32.399 31.700 0.026 0.000 0.823 20 I N 2.534 123.115 120.570 0.018 0.000 2.194 20 I HA -0.216 3.954 4.170 0.001 0.000 0.246 20 I C 1.935 178.060 176.117 0.013 0.000 1.093 20 I CA 1.601 62.910 61.300 0.014 0.000 1.355 20 I CB -1.283 36.725 38.000 0.013 0.000 1.046 20 I HN 0.290 nan 8.210 nan 0.000 0.413 21 L N 0.455 121.685 121.223 0.013 0.000 2.591 21 L HA 0.058 4.399 4.340 0.001 0.000 0.228 21 L C 0.896 177.772 176.870 0.010 0.000 1.133 21 L CA 0.363 55.210 54.840 0.011 0.000 0.880 21 L CB -1.554 40.511 42.059 0.011 0.000 1.033 21 L HN 0.341 nan 8.230 nan 0.000 0.450 22 N N 0.361 119.068 118.700 0.011 0.000 2.708 22 N HA -0.254 4.486 4.740 0.001 0.000 0.249 22 N C 0.040 175.554 175.510 0.006 0.000 1.097 22 N CA 0.666 53.722 53.050 0.009 0.000 0.710 22 N CB -0.722 37.770 38.487 0.007 0.000 1.032 22 N HN 0.350 nan 8.380 nan 0.000 0.551 23 K N 0.351 120.755 120.400 0.006 0.000 2.118 23 K HA 0.460 4.780 4.320 0.001 0.000 0.264 23 K C 0.291 176.892 176.600 0.001 0.000 1.000 23 K CA -0.360 55.929 56.287 0.004 0.000 0.929 23 K CB 1.142 33.645 32.500 0.004 0.000 1.021 23 K HN 0.116 nan 8.250 nan 0.000 0.463 24 R N 1.597 122.096 120.500 -0.002 0.000 2.725 24 R HA 0.467 4.807 4.340 0.001 0.000 0.277 24 R C -0.859 175.437 176.300 -0.007 0.000 0.987 24 R CA -0.854 55.243 56.100 -0.005 0.000 0.901 24 R CB 1.511 31.805 30.300 -0.010 0.000 1.207 24 R HN 0.490 nan 8.270 nan 0.000 0.463 25 I N 2.840 123.405 120.570 -0.009 0.000 2.378 25 I HA 0.310 4.480 4.170 0.001 0.000 0.291 25 I C -2.211 173.897 176.117 -0.015 0.000 0.992 25 I CA -2.454 58.840 61.300 -0.010 0.000 1.154 25 I CB 1.942 39.936 38.000 -0.009 0.000 1.315 25 I HN 0.180 nan 8.210 nan 0.000 0.448 26 P HA 0.037 nan 4.420 nan 0.000 0.268 26 P C -0.966 176.319 177.300 -0.025 0.000 1.204 26 P CA -0.092 62.996 63.100 -0.019 0.000 0.768 26 P CB 0.412 32.102 31.700 -0.016 0.000 0.842 27 N N 3.478 122.160 118.700 -0.030 0.000 2.443 27 N HA 0.270 5.011 4.740 0.001 0.000 0.269 27 N C -1.114 174.373 175.510 -0.038 0.000 0.985 27 N CA -0.442 52.587 53.050 -0.036 0.000 0.921 27 N CB 0.332 38.796 38.487 -0.038 0.000 1.195 27 N HN 0.097 nan 8.380 nan 0.000 0.492 28 I N 2.030 122.578 120.570 -0.038 0.000 2.428 28 I HA 0.262 4.432 4.170 0.001 0.000 0.296 28 I C 0.671 176.757 176.117 -0.052 0.000 0.985 28 I CA -0.695 60.586 61.300 -0.032 0.000 1.260 28 I CB 0.799 38.807 38.000 0.012 0.000 1.389 28 I HN 0.568 nan 8.210 nan 0.000 0.484 29 N N 6.954 125.609 118.700 -0.074 0.000 2.411 29 N HA 0.192 4.932 4.740 0.001 0.000 0.259 29 N C -1.804 173.608 175.510 -0.163 0.000 1.103 29 N CA -1.184 51.805 53.050 -0.102 0.000 0.954 29 N CB 1.370 39.800 38.487 -0.096 0.000 1.085 29 N HN 0.278 nan 8.380 nan 0.000 0.485 30 P HA -0.139 nan 4.420 nan 0.000 0.218 30 P C 0.825 177.828 177.300 -0.496 0.000 1.149 30 P CA 1.026 63.980 63.100 -0.244 0.000 0.817 30 P CB 0.193 31.786 31.700 -0.178 0.000 0.785 31 S N -2.098 113.399 115.700 -0.339 0.000 2.470 31 S HA -0.041 4.430 4.470 0.001 0.000 0.225 31 S C 1.714 176.233 174.600 -0.134 0.000 1.006 31 S CA 1.376 59.441 58.200 -0.225 0.000 0.934 31 S CB -1.495 61.718 63.200 0.022 0.000 0.778 31 S HN 0.276 nan 8.310 nan 0.000 0.517 32 T N -1.740 112.695 114.554 -0.199 0.000 2.978 32 T HA 0.335 4.685 4.350 0.001 0.000 0.248 32 T C 0.459 175.024 174.700 -0.226 0.000 1.018 32 T CA 0.466 62.471 62.100 -0.159 0.000 1.026 32 T CB -0.334 68.473 68.868 -0.102 0.000 1.032 32 T HN 0.387 nan 8.240 nan 0.000 0.485 33 E N 0.753 120.763 120.200 -0.317 0.000 3.763 33 E HA -0.123 4.227 4.350 0.001 0.000 0.319 33 E C -0.935 175.586 176.600 -0.131 0.000 0.804 33 E CA 0.230 56.453 56.400 -0.294 0.000 1.196 33 E CB -1.428 28.077 29.700 -0.325 0.000 1.607 33 E HN 0.536 nan 8.360 nan 0.000 0.431 34 N N 0.641 119.275 118.700 -0.110 0.000 2.443 34 N HA 0.348 5.088 4.740 0.001 0.000 0.295 34 N C 0.107 175.584 175.510 -0.056 0.000 1.076 34 N CA -0.393 52.615 53.050 -0.069 0.000 0.919 34 N CB 0.851 39.300 38.487 -0.064 0.000 1.176 34 N HN 0.059 nan 8.380 nan 0.000 0.487 35 I N 2.149 122.694 120.570 -0.041 0.000 2.578 35 I HA -0.060 4.111 4.170 0.001 0.000 0.286 35 I C 1.458 177.551 176.117 -0.040 0.000 1.126 35 I CA 0.213 61.491 61.300 -0.036 0.000 1.380 35 I CB 0.308 38.291 38.000 -0.028 0.000 1.408 35 I HN 0.480 nan 8.210 nan 0.000 0.532 36 I N 5.214 125.758 120.570 -0.043 0.000 3.860 36 I HA 0.306 4.476 4.170 0.001 0.000 0.319 36 I C 0.878 176.969 176.117 -0.044 0.000 1.279 36 I CA 0.515 61.788 61.300 -0.045 0.000 1.220 36 I CB 0.069 38.039 38.000 -0.050 0.000 1.027 36 I HN 0.769 nan 8.210 nan 0.000 0.428 37 G N -0.069 108.706 108.800 -0.042 0.000 2.368 37 G HA2 0.310 4.270 3.960 0.001 0.000 0.269 37 G HA3 0.310 4.270 3.960 0.001 0.000 0.269 37 G C -2.011 172.866 174.900 -0.039 0.000 1.291 37 G CA -0.071 45.004 45.100 -0.043 0.000 0.903 37 G HN 0.247 nan 8.290 nan 0.000 0.483 38 D N -1.426 118.949 120.400 -0.041 0.000 2.665 38 D HA 0.643 5.283 4.640 0.001 0.000 0.287 38 D C -0.388 175.891 176.300 -0.035 0.000 1.266 38 D CA -0.526 53.453 54.000 -0.034 0.000 0.830 38 D CB 1.344 42.127 40.800 -0.028 0.000 1.356 38 D HN 1.257 nan 8.370 nan 0.000 0.437 39 I N -4.399 116.157 120.570 -0.024 0.000 2.828 39 I HA 0.645 4.815 4.170 0.001 0.000 0.302 39 I C -3.034 173.081 176.117 -0.004 0.000 1.101 39 I CA -2.515 58.776 61.300 -0.016 0.000 1.031 39 I CB 1.842 39.839 38.000 -0.006 0.000 1.231 39 I HN 0.172 nan 8.210 nan 0.000 0.427 40 P HA 0.223 nan 4.420 nan 0.000 0.271 40 P C -0.630 176.681 177.300 0.018 0.000 1.216 40 P CA -0.135 62.976 63.100 0.017 0.000 0.776 40 P CB 0.894 32.618 31.700 0.040 0.000 0.881 41 A N 2.960 125.786 122.820 0.010 0.000 2.444 41 A HA 0.579 4.899 4.320 0.001 0.000 0.332 41 A C 0.535 178.122 177.584 0.005 0.000 1.430 41 A CA -0.606 51.431 52.037 0.001 0.000 0.975 41 A CB -0.359 18.637 19.000 -0.008 0.000 1.147 41 A HN 0.597 nan 8.150 nan 0.000 0.524 42 A N 2.710 125.536 122.820 0.011 0.000 2.371 42 A HA 0.680 5.000 4.320 0.001 0.000 0.257 42 A C 0.867 178.452 177.584 0.002 0.000 1.089 42 A CA 0.493 52.538 52.037 0.014 0.000 0.794 42 A CB 0.096 19.111 19.000 0.025 0.000 1.029 42 A HN 1.369 nan 8.150 nan 0.000 0.488 43 T N -1.176 113.383 114.554 0.009 0.000 2.773 43 T HA 0.475 4.825 4.350 0.001 0.000 0.278 43 T C 1.000 175.713 174.700 0.021 0.000 1.011 43 T CA -0.103 62.002 62.100 0.008 0.000 1.014 43 T CB 0.991 69.865 68.868 0.010 0.000 1.293 43 T HN 0.567 nan 8.240 nan 0.000 0.554 44 K N 1.126 121.543 120.400 0.027 0.000 2.052 44 K HA -0.268 4.052 4.320 0.001 0.000 0.215 44 K C 1.980 178.610 176.600 0.050 0.000 1.053 44 K CA 2.836 59.148 56.287 0.042 0.000 0.934 44 K CB -0.655 31.867 32.500 0.037 0.000 0.717 44 K HN 0.828 nan 8.250 nan 0.000 0.450 45 E N -0.801 119.420 120.200 0.036 0.000 2.285 45 E HA -0.142 4.208 4.350 0.001 0.000 0.194 45 E C 1.121 177.738 176.600 0.027 0.000 0.997 45 E CA 1.031 57.452 56.400 0.035 0.000 0.845 45 E CB -0.165 29.550 29.700 0.026 0.000 0.782 45 E HN 0.361 nan 8.360 nan 0.000 0.491 46 D N 1.556 121.969 120.400 0.022 0.000 2.117 46 D HA -0.107 4.534 4.640 0.001 0.000 0.198 46 D C 2.218 178.523 176.300 0.007 0.000 0.982 46 D CA 1.039 55.047 54.000 0.014 0.000 0.828 46 D CB -0.041 40.770 40.800 0.018 0.000 0.967 46 D HN 0.100 nan 8.370 nan 0.000 0.464 47 V N 1.644 121.570 119.914 0.019 0.000 2.343 47 V HA -0.215 3.906 4.120 0.001 0.000 0.247 47 V C 1.868 177.955 176.094 -0.012 0.000 1.051 47 V CA 1.641 63.948 62.300 0.011 0.000 1.036 47 V CB -0.421 31.427 31.823 0.043 0.000 0.654 47 V HN 0.017 nan 8.190 nan 0.000 0.451 48 D N -0.073 120.356 120.400 0.049 0.000 2.123 48 D HA -0.149 4.492 4.640 0.001 0.000 0.196 48 D C 1.928 178.223 176.300 -0.008 0.000 0.992 48 D CA 1.073 55.120 54.000 0.079 0.000 0.833 48 D CB -0.243 40.635 40.800 0.130 0.000 0.954 48 D HN 0.224 nan 8.370 nan 0.000 0.455 49 L N 0.654 121.867 121.223 -0.017 0.000 2.056 49 L HA -0.034 4.306 4.340 0.001 0.000 0.207 49 L C 2.350 179.171 176.870 -0.081 0.000 1.078 49 L CA 1.244 56.059 54.840 -0.043 0.000 0.749 49 L CB -1.171 40.866 42.059 -0.037 0.000 0.901 49 L HN -0.042 nan 8.230 nan 0.000 0.433 50 A N -0.964 121.803 122.820 -0.088 0.000 1.883 50 A HA -0.177 4.143 4.320 0.001 0.000 0.217 50 A C 2.378 179.879 177.584 -0.138 0.000 1.186 50 A CA 2.135 54.107 52.037 -0.109 0.000 0.624 50 A CB -0.977 17.974 19.000 -0.080 0.000 0.822 50 A HN 0.217 nan 8.150 nan 0.000 0.444 51 V N 0.630 120.425 119.914 -0.197 0.000 2.358 51 V HA -0.229 3.892 4.120 0.001 0.000 0.246 51 V C 2.159 178.148 176.094 -0.176 0.000 1.047 51 V CA 2.209 64.346 62.300 -0.271 0.000 1.035 51 V CB -0.888 30.537 31.823 -0.664 0.000 0.658 51 V HN 0.493 nan 8.190 nan 0.000 0.452 52 D N 0.706 121.029 120.400 -0.129 0.000 2.123 52 D HA -0.154 4.486 4.640 0.001 0.000 0.196 52 D C 2.237 178.494 176.300 -0.072 0.000 0.992 52 D CA 1.749 55.711 54.000 -0.064 0.000 0.833 52 D CB -0.372 40.408 40.800 -0.033 0.000 0.954 52 D HN 0.448 nan 8.370 nan 0.000 0.455 53 A N 0.960 123.723 122.820 -0.096 0.000 1.902 53 A HA -0.036 4.284 4.320 0.001 0.000 0.217 53 A C 2.313 179.829 177.584 -0.113 0.000 1.181 53 A CA 2.223 54.193 52.037 -0.113 0.000 0.623 53 A CB -0.668 18.242 19.000 -0.151 0.000 0.818 53 A HN 0.243 nan 8.150 nan 0.000 0.443 54 A N -0.536 122.217 122.820 -0.112 0.000 1.873 54 A HA -0.120 4.200 4.320 0.001 0.000 0.215 54 A C 2.140 179.688 177.584 -0.059 0.000 1.186 54 A CA 1.733 53.711 52.037 -0.099 0.000 0.616 54 A CB -0.392 18.553 19.000 -0.092 0.000 0.823 54 A HN 0.311 nan 8.150 nan 0.000 0.442 55 K N -0.152 120.219 120.400 -0.048 0.000 2.063 55 K HA -0.114 4.207 4.320 0.001 0.000 0.208 55 K C 2.163 178.757 176.600 -0.010 0.000 1.048 55 K CA 1.444 57.722 56.287 -0.016 0.000 0.928 55 K CB -0.330 32.165 32.500 -0.009 0.000 0.713 55 K HN 0.475 nan 8.250 nan 0.000 0.442 56 R N -0.162 120.322 120.500 -0.027 0.000 2.115 56 R HA -0.031 4.309 4.340 0.001 0.000 0.230 56 R C 2.250 178.540 176.300 -0.018 0.000 1.111 56 R CA 0.978 57.065 56.100 -0.022 0.000 0.976 56 R CB -0.237 30.041 30.300 -0.037 0.000 0.870 56 R HN 0.148 nan 8.270 nan 0.000 0.445 57 A N 1.512 124.308 122.820 -0.039 0.000 1.972 57 A HA -0.138 4.183 4.320 0.001 0.000 0.219 57 A C 1.991 179.602 177.584 0.045 0.000 1.169 57 A CA 1.436 53.451 52.037 -0.036 0.000 0.635 57 A CB -0.406 18.521 19.000 -0.122 0.000 0.810 57 A HN 0.486 nan 8.150 nan 0.000 0.446 58 I N -2.906 117.696 120.570 0.054 0.000 4.082 58 I HA 0.230 4.400 4.170 0.001 0.000 0.337 58 I C 0.733 176.891 176.117 0.068 0.000 1.352 58 I CA 0.211 61.570 61.300 0.098 0.000 1.097 58 I CB 0.298 38.364 38.000 0.111 0.000 1.048 58 I HN 0.137 nan 8.210 nan 0.000 0.393 59 S N 1.244 116.971 115.700 0.044 0.000 2.548 59 S HA 0.313 4.783 4.470 0.001 0.000 0.277 59 S C 1.199 175.820 174.600 0.035 0.000 1.315 59 S CA -0.461 57.759 58.200 0.035 0.000 1.050 59 S CB 1.139 64.353 63.200 0.022 0.000 0.918 59 S HN 0.424 nan 8.310 nan 0.000 0.497 60 R N 2.672 123.192 120.500 0.032 0.000 2.191 60 R HA -0.221 4.119 4.340 0.001 0.000 0.248 60 R C 1.774 178.090 176.300 0.026 0.000 1.127 60 R CA 2.515 58.632 56.100 0.029 0.000 0.943 60 R CB -0.567 29.747 30.300 0.024 0.000 0.891 60 R HN 0.923 nan 8.270 nan 0.000 0.439 61 K N 0.641 121.054 120.400 0.022 0.000 2.611 61 K HA 0.015 4.335 4.320 0.001 0.000 0.193 61 K C 0.398 177.009 176.600 0.019 0.000 1.026 61 K CA 0.191 56.489 56.287 0.018 0.000 1.063 61 K CB -0.134 32.374 32.500 0.014 0.000 0.839 61 K HN 0.003 nan 8.250 nan 0.000 0.505 62 N N 1.083 119.797 118.700 0.025 0.000 2.434 62 N HA 0.078 4.819 4.740 0.001 0.000 0.272 62 N C 0.713 176.244 175.510 0.035 0.000 1.040 62 N CA -0.030 53.037 53.050 0.027 0.000 0.956 62 N CB 1.613 40.120 38.487 0.032 0.000 1.108 62 N HN 0.226 nan 8.380 nan 0.000 0.481 63 G N 3.118 111.937 108.800 0.032 0.000 2.422 63 G HA2 -0.155 3.805 3.960 0.001 0.000 0.218 63 G HA3 -0.155 3.805 3.960 0.001 0.000 0.218 63 G C 0.814 175.744 174.900 0.051 0.000 1.140 63 G CA 0.372 45.494 45.100 0.036 0.000 0.775 63 G HN 0.592 nan 8.290 nan 0.000 0.545 64 R N 1.031 121.569 120.500 0.063 0.000 3.534 64 R HA 0.141 4.481 4.340 0.001 0.000 0.312 64 R C -0.711 175.664 176.300 0.126 0.000 1.419 64 R CA -0.452 55.706 56.100 0.097 0.000 1.262 64 R CB 0.234 30.596 30.300 0.103 0.000 1.437 64 R HN 0.057 nan 8.270 nan 0.000 0.627 65 D N 0.959 121.417 120.400 0.098 0.000 2.383 65 D HA -0.178 4.463 4.640 0.001 0.000 0.275 65 D C 0.643 177.031 176.300 0.146 0.000 1.344 65 D CA 0.199 54.263 54.000 0.108 0.000 0.984 65 D CB 0.273 41.111 40.800 0.063 0.000 1.104 65 D HN 0.445 nan 8.370 nan 0.000 0.524 66 W N 3.501 124.795 121.300 -0.010 0.000 2.363 66 W HA -0.230 4.430 4.660 0.000 0.000 0.296 66 W C 1.714 178.235 176.519 0.003 0.000 1.212 66 W CA 1.550 58.888 57.345 -0.013 0.000 1.260 66 W CB -0.115 29.321 29.460 -0.040 0.000 1.131 66 W HN 0.519 nan 8.180 nan 0.000 0.530 67 S N 0.449 116.213 115.700 0.106 0.000 2.428 67 S HA -0.006 4.464 4.470 0.001 0.000 0.230 67 S C 1.813 176.388 174.600 -0.042 0.000 1.014 67 S CA 0.970 59.180 58.200 0.015 0.000 0.957 67 S CB -0.524 62.725 63.200 0.082 0.000 0.784 67 S HN 0.172 nan 8.310 nan 0.000 0.499 68 A N 1.039 123.846 122.820 -0.022 0.000 2.238 68 A HA 0.744 5.064 4.320 0.001 0.000 0.210 68 A C 1.165 178.713 177.584 -0.059 0.000 1.179 68 A CA 0.230 52.251 52.037 -0.027 0.000 0.827 68 A CB -0.694 18.308 19.000 0.003 0.000 0.856 68 A HN 0.758 nan 8.150 nan 0.000 0.488 69 A N 0.823 123.575 122.820 -0.113 0.000 2.406 69 A HA 0.496 4.816 4.320 0.001 0.000 0.243 69 A C 0.937 178.428 177.584 -0.155 0.000 1.082 69 A CA 0.292 52.245 52.037 -0.140 0.000 0.786 69 A CB -0.110 18.755 19.000 -0.225 0.000 1.029 69 A HN 0.972 nan 8.150 nan 0.000 0.495 70 S N 0.811 116.442 115.700 -0.115 0.000 2.585 70 S HA 0.375 4.845 4.470 0.001 0.000 0.273 70 S C 1.329 175.848 174.600 -0.135 0.000 1.339 70 S CA -0.203 57.936 58.200 -0.101 0.000 1.028 70 S CB 1.051 64.212 63.200 -0.066 0.000 0.906 70 S HN 1.317 nan 8.310 nan 0.000 0.528 71 G N 1.243 109.976 108.800 -0.110 0.000 2.422 71 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 71 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 71 G C 1.617 176.470 174.900 -0.078 0.000 1.146 71 G CA 0.880 45.917 45.100 -0.105 0.000 0.769 71 G HN 1.006 nan 8.290 nan 0.000 0.547 72 S N 0.346 116.010 115.700 -0.061 0.000 2.402 72 S HA -0.036 4.434 4.470 0.001 0.000 0.229 72 S C 2.249 176.827 174.600 -0.037 0.000 1.021 72 S CA 1.203 59.378 58.200 -0.041 0.000 0.974 72 S CB -0.294 62.883 63.200 -0.038 0.000 0.800 72 S HN 0.211 nan 8.310 nan 0.000 0.484 73 L N 2.110 123.302 121.223 -0.051 0.000 2.017 73 L HA 0.066 4.406 4.340 0.001 0.000 0.208 73 L C 2.624 179.519 176.870 0.041 0.000 1.073 73 L CA 1.639 56.463 54.840 -0.025 0.000 0.745 73 L CB -0.668 41.380 42.059 -0.019 0.000 0.894 73 L HN 0.192 nan 8.230 nan 0.000 0.432 74 R N -0.430 120.027 120.500 -0.071 0.000 2.096 74 R HA -0.098 4.242 4.340 0.001 0.000 0.235 74 R C 2.234 178.634 176.300 0.166 0.000 1.127 74 R CA 1.184 57.258 56.100 -0.045 0.000 0.968 74 R CB -0.730 29.337 30.300 -0.388 0.000 0.861 74 R HN 0.528 nan 8.270 nan 0.000 0.440 75 A N 1.579 124.443 122.820 0.073 0.000 1.940 75 A HA -0.188 4.132 4.320 0.001 0.000 0.219 75 A C 2.098 179.737 177.584 0.091 0.000 1.176 75 A CA 1.249 53.340 52.037 0.090 0.000 0.631 75 A CB -0.380 18.640 19.000 0.034 0.000 0.814 75 A HN 0.239 nan 8.150 nan 0.000 0.446 76 R N -1.997 118.523 120.500 0.033 0.000 2.096 76 R HA -0.155 4.185 4.340 0.001 0.000 0.235 76 R C 1.981 178.254 176.300 -0.045 0.000 1.127 76 R CA 1.724 57.796 56.100 -0.047 0.000 0.968 76 R CB -0.488 29.724 30.300 -0.146 0.000 0.861 76 R HN 0.667 nan 8.270 nan 0.000 0.440 77 Y N 0.975 121.345 120.300 0.116 0.000 2.163 77 Y HA -0.141 4.410 4.550 0.000 0.000 0.288 77 Y C 2.266 178.227 175.900 0.103 0.000 1.136 77 Y CA 1.131 59.316 58.100 0.142 0.000 1.147 77 Y CB -0.398 38.232 38.460 0.284 0.000 0.987 77 Y HN -0.051 nan 8.280 nan 0.000 0.509 78 L N -0.510 120.902 121.223 0.314 0.000 2.012 78 L HA -0.259 4.081 4.340 0.001 0.000 0.210 78 L C 2.528 179.481 176.870 0.139 0.000 1.073 78 L CA 1.492 56.488 54.840 0.259 0.000 0.748 78 L CB -0.533 41.743 42.059 0.362 0.000 0.891 78 L HN 0.125 nan 8.230 nan 0.000 0.431 79 R N -0.158 120.415 120.500 0.122 0.000 2.096 79 R HA -0.146 4.194 4.340 0.001 0.000 0.235 79 R C 2.388 178.705 176.300 0.029 0.000 1.127 79 R CA 1.362 57.508 56.100 0.076 0.000 0.968 79 R CB -0.524 29.809 30.300 0.054 0.000 0.861 79 R HN 0.390 nan 8.270 nan 0.000 0.440 80 A N 1.296 124.127 122.820 0.017 0.000 1.898 80 A HA -0.118 4.203 4.320 0.001 0.000 0.216 80 A C 2.163 179.728 177.584 -0.031 0.000 1.181 80 A CA 1.066 53.102 52.037 -0.002 0.000 0.620 80 A CB -0.417 18.583 19.000 0.000 0.000 0.819 80 A HN 0.156 nan 8.150 nan 0.000 0.442 81 I N -0.052 120.469 120.570 -0.081 0.000 2.163 81 I HA -0.321 3.849 4.170 0.001 0.000 0.243 81 I C 2.991 178.942 176.117 -0.276 0.000 1.085 81 I CA 1.146 62.300 61.300 -0.244 0.000 1.347 81 I CB -0.376 37.325 38.000 -0.499 0.000 1.044 81 I HN 0.359 nan 8.210 nan 0.000 0.408 82 A N 0.758 123.446 122.820 -0.220 0.000 1.883 82 A HA -0.233 4.088 4.320 0.001 0.000 0.217 82 A C 2.549 180.138 177.584 0.008 0.000 1.186 82 A CA 2.182 54.191 52.037 -0.047 0.000 0.624 82 A CB -1.024 18.035 19.000 0.100 0.000 0.822 82 A HN 0.449 nan 8.150 nan 0.000 0.444 83 A N -0.645 122.180 122.820 0.009 0.000 1.902 83 A HA -0.156 4.164 4.320 0.001 0.000 0.217 83 A C 2.087 179.684 177.584 0.022 0.000 1.181 83 A CA 2.310 54.360 52.037 0.023 0.000 0.623 83 A CB -0.404 18.607 19.000 0.018 0.000 0.818 83 A HN 0.456 nan 8.150 nan 0.000 0.443 84 K N -0.104 120.300 120.400 0.006 0.000 2.097 84 K HA 0.027 4.347 4.320 0.001 0.000 0.205 84 K C 1.575 178.198 176.600 0.038 0.000 1.050 84 K CA 1.278 57.574 56.287 0.014 0.000 0.938 84 K CB -0.395 32.104 32.500 -0.001 0.000 0.718 84 K HN 0.545 nan 8.250 nan 0.000 0.442 85 I N 0.200 120.799 120.570 0.048 0.000 2.286 85 I HA -0.235 3.936 4.170 0.001 0.000 0.245 85 I C 2.297 178.480 176.117 0.111 0.000 1.104 85 I CA 1.013 62.384 61.300 0.118 0.000 1.397 85 I CB -0.180 37.916 38.000 0.161 0.000 1.072 85 I HN 0.148 nan 8.210 nan 0.000 0.417 86 K N 1.096 121.546 120.400 0.084 0.000 2.103 86 K HA -0.236 4.084 4.320 0.001 0.000 0.207 86 K C 1.972 178.611 176.600 0.065 0.000 1.048 86 K CA 1.613 57.946 56.287 0.077 0.000 0.930 86 K CB 0.000 32.539 32.500 0.066 0.000 0.716 86 K HN 0.321 nan 8.250 nan 0.000 0.444 87 E N 0.147 120.380 120.200 0.054 0.000 2.085 87 E HA -0.181 4.169 4.350 0.001 0.000 0.194 87 E C 1.343 177.972 176.600 0.048 0.000 0.994 87 E CA 1.290 57.716 56.400 0.045 0.000 0.801 87 E CB 0.120 29.841 29.700 0.035 0.000 0.743 87 E HN 0.275 nan 8.360 nan 0.000 0.453 88 K N 0.748 121.183 120.400 0.059 0.000 2.417 88 K HA 0.041 4.361 4.320 0.001 0.000 0.196 88 K C 1.610 178.254 176.600 0.074 0.000 1.023 88 K CA -0.135 56.186 56.287 0.057 0.000 1.122 88 K CB 0.278 32.808 32.500 0.051 0.000 0.850 88 K HN -0.005 nan 8.250 nan 0.000 0.521 89 K N 2.016 122.467 120.400 0.086 0.000 2.066 89 K HA -0.300 4.021 4.320 0.001 0.000 0.221 89 K C 0.763 177.412 176.600 0.082 0.000 1.056 89 K CA 2.482 58.827 56.287 0.097 0.000 0.950 89 K CB -0.053 32.498 32.500 0.085 0.000 0.726 89 K HN 0.040 nan 8.250 nan 0.000 0.456 90 D N -0.117 120.319 120.400 0.060 0.000 2.144 90 D HA -0.122 4.518 4.640 0.001 0.000 0.200 90 D C 1.931 178.255 176.300 0.039 0.000 0.978 90 D CA 1.089 55.117 54.000 0.048 0.000 0.833 90 D CB -0.128 40.694 40.800 0.037 0.000 0.961 90 D HN 0.342 nan 8.370 nan 0.000 0.470 91 E N 0.129 120.350 120.200 0.034 0.000 2.112 91 E HA 0.029 4.380 4.350 0.001 0.000 0.190 91 E C 2.065 178.675 176.600 0.017 0.000 0.979 91 E CA 0.382 56.793 56.400 0.019 0.000 0.814 91 E CB -0.187 29.518 29.700 0.009 0.000 0.762 91 E HN 0.228 nan 8.360 nan 0.000 0.460 92 L N -0.655 120.590 121.223 0.037 0.000 2.093 92 L HA -0.012 4.329 4.340 0.001 0.000 0.208 92 L C 2.372 179.277 176.870 0.059 0.000 1.085 92 L CA 1.169 56.031 54.840 0.037 0.000 0.755 92 L CB -0.650 41.468 42.059 0.099 0.000 0.904 92 L HN 0.274 nan 8.230 nan 0.000 0.435 93 G N -0.303 108.545 108.800 0.080 0.000 2.422 93 G HA2 -0.276 3.684 3.960 0.001 0.000 0.218 93 G HA3 -0.276 3.684 3.960 0.001 0.000 0.218 93 G C 1.713 176.636 174.900 0.038 0.000 1.146 93 G CA 0.595 45.738 45.100 0.073 0.000 0.769 93 G HN 0.232 nan 8.290 nan 0.000 0.547 94 K N -0.241 120.174 120.400 0.025 0.000 2.057 94 K HA 0.102 4.422 4.320 0.001 0.000 0.206 94 K C 2.549 179.145 176.600 -0.006 0.000 1.050 94 K CA 0.627 56.918 56.287 0.008 0.000 0.935 94 K CB -0.217 32.286 32.500 0.004 0.000 0.715 94 K HN 0.316 nan 8.250 nan 0.000 0.439 95 L N 0.492 121.708 121.223 -0.012 0.000 2.093 95 L HA -0.178 4.162 4.340 0.001 0.000 0.208 95 L C 2.424 179.278 176.870 -0.026 0.000 1.085 95 L CA 1.121 55.943 54.840 -0.030 0.000 0.755 95 L CB -0.367 41.662 42.059 -0.051 0.000 0.904 95 L HN 0.209 nan 8.230 nan 0.000 0.435 96 E N 0.217 120.413 120.200 -0.007 0.000 2.058 96 E HA -0.195 4.155 4.350 0.001 0.000 0.194 96 E C 2.267 178.859 176.600 -0.013 0.000 0.997 96 E CA 1.812 58.216 56.400 0.006 0.000 0.801 96 E CB -0.050 29.681 29.700 0.052 0.000 0.746 96 E HN 0.238 nan 8.360 nan 0.000 0.450 97 S N -0.257 115.434 115.700 -0.015 0.000 2.359 97 S HA -0.143 4.328 4.470 0.001 0.000 0.224 97 S C 1.982 176.557 174.600 -0.041 0.000 1.035 97 S CA 1.359 59.541 58.200 -0.030 0.000 1.018 97 S CB -0.361 62.829 63.200 -0.017 0.000 0.876 97 S HN 0.292 nan 8.310 nan 0.000 0.448 98 I N 1.308 121.856 120.570 -0.036 0.000 2.286 98 I HA -0.202 3.968 4.170 0.001 0.000 0.248 98 I C 2.336 178.420 176.117 -0.054 0.000 1.115 98 I CA 1.267 62.540 61.300 -0.046 0.000 1.392 98 I CB -0.333 37.642 38.000 -0.041 0.000 1.065 98 I HN 0.218 nan 8.210 nan 0.000 0.418 99 D N 0.396 120.769 120.400 -0.046 0.000 2.091 99 D HA -0.147 4.493 4.640 0.001 0.000 0.199 99 D C 2.161 178.432 176.300 -0.048 0.000 0.980 99 D CA 1.705 55.679 54.000 -0.043 0.000 0.831 99 D CB 0.089 40.871 40.800 -0.029 0.000 0.987 99 D HN 0.525 nan 8.370 nan 0.000 0.460 100 C N -2.989 116.287 119.300 -0.041 0.000 2.935 100 C HA 0.721 5.181 4.460 0.001 0.000 0.308 100 C C 1.870 176.813 174.990 -0.078 0.000 1.263 100 C CA 0.518 59.515 59.018 -0.035 0.000 1.738 100 C CB 0.341 28.100 27.740 0.031 0.000 2.237 100 C HN 0.410 nan 8.230 nan 0.000 0.600 101 G N 1.693 110.438 108.800 -0.092 0.000 2.179 101 G HA2 -0.181 3.779 3.960 0.001 0.000 0.220 101 G HA3 -0.181 3.779 3.960 0.001 0.000 0.220 101 G C -0.014 174.815 174.900 -0.119 0.000 0.990 101 G CA 0.190 45.217 45.100 -0.121 0.000 0.646 101 G HN 0.993 nan 8.290 nan 0.000 0.517 102 K N 0.707 121.030 120.400 -0.127 0.000 2.295 102 K HA 0.550 4.870 4.320 0.001 0.000 0.270 102 K C -2.562 173.977 176.600 -0.102 0.000 1.011 102 K CA -1.500 54.689 56.287 -0.164 0.000 0.953 102 K CB 0.816 33.164 32.500 -0.254 0.000 0.956 102 K HN 0.043 nan 8.250 nan 0.000 0.477 103 P HA -0.121 nan 4.420 nan 0.000 0.266 103 P C 0.529 177.821 177.300 -0.013 0.000 1.193 103 P CA -0.315 62.770 63.100 -0.026 0.000 0.770 103 P CB 0.372 32.068 31.700 -0.006 0.000 0.836 104 L N 3.478 124.709 121.223 0.012 0.000 2.042 104 L HA -0.208 4.133 4.340 0.001 0.000 0.210 104 L C 1.902 178.797 176.870 0.043 0.000 1.076 104 L CA 1.999 56.853 54.840 0.024 0.000 0.749 104 L CB -1.102 40.973 42.059 0.027 0.000 0.893 104 L HN 0.410 nan 8.230 nan 0.000 0.432 105 E N -0.762 119.473 120.200 0.058 0.000 2.153 105 E HA -0.229 4.121 4.350 0.001 0.000 0.194 105 E C 1.997 178.666 176.600 0.115 0.000 0.988 105 E CA 1.328 57.780 56.400 0.087 0.000 0.811 105 E CB -0.062 29.698 29.700 0.100 0.000 0.746 105 E HN 0.651 nan 8.360 nan 0.000 0.466 106 E N 0.559 120.814 120.200 0.093 0.000 2.047 106 E HA -0.162 4.189 4.350 0.001 0.000 0.191 106 E C 2.141 178.786 176.600 0.074 0.000 0.987 106 E CA 0.869 57.324 56.400 0.090 0.000 0.799 106 E CB -0.103 29.522 29.700 -0.126 0.000 0.752 106 E HN 0.195 nan 8.360 nan 0.000 0.449 107 A N 1.356 124.196 122.820 0.033 0.000 1.902 107 A HA -0.152 4.168 4.320 0.001 0.000 0.217 107 A C 2.216 179.855 177.584 0.092 0.000 1.181 107 A CA 1.049 53.117 52.037 0.052 0.000 0.623 107 A CB -0.640 18.379 19.000 0.031 0.000 0.818 107 A HN 0.121 nan 8.150 nan 0.000 0.443 108 L N -0.883 120.392 121.223 0.087 0.000 2.093 108 L HA -0.176 4.164 4.340 0.001 0.000 0.208 108 L C 3.072 180.006 176.870 0.106 0.000 1.085 108 L CA 0.945 55.842 54.840 0.094 0.000 0.755 108 L CB -0.533 41.574 42.059 0.080 0.000 0.904 108 L HN 0.445 nan 8.230 nan 0.000 0.435 109 A N -0.078 122.815 122.820 0.121 0.000 1.902 109 A HA -0.221 4.099 4.320 0.001 0.000 0.217 109 A C 1.902 179.563 177.584 0.127 0.000 1.181 109 A CA 1.886 54.003 52.037 0.133 0.000 0.623 109 A CB -0.478 18.628 19.000 0.177 0.000 0.818 109 A HN 0.328 nan 8.150 nan 0.000 0.443 110 D N 0.017 120.500 120.400 0.139 0.000 2.123 110 D HA -0.130 4.510 4.640 0.001 0.000 0.196 110 D C 1.864 178.212 176.300 0.081 0.000 0.992 110 D CA 0.719 54.792 54.000 0.121 0.000 0.833 110 D CB -0.259 40.635 40.800 0.156 0.000 0.954 110 D HN 0.229 nan 8.370 nan 0.000 0.455 111 L N 1.143 122.432 121.223 0.109 0.000 2.046 111 L HA -0.163 4.177 4.340 0.001 0.000 0.208 111 L C 1.714 178.633 176.870 0.082 0.000 1.077 111 L CA 1.617 56.522 54.840 0.109 0.000 0.747 111 L CB -0.914 41.237 42.059 0.154 0.000 0.896 111 L HN 0.025 nan 8.230 nan 0.000 0.432 112 D N -0.129 120.324 120.400 0.089 0.000 2.144 112 D HA -0.179 4.462 4.640 0.001 0.000 0.199 112 D C 1.828 178.176 176.300 0.081 0.000 0.984 112 D CA 1.066 55.118 54.000 0.087 0.000 0.834 112 D CB -0.016 40.837 40.800 0.088 0.000 0.955 112 D HN 0.346 nan 8.370 nan 0.000 0.465 113 D N 0.099 120.542 120.400 0.071 0.000 2.144 113 D HA -0.079 4.562 4.640 0.001 0.000 0.200 113 D C 2.319 178.653 176.300 0.057 0.000 0.978 113 D CA 0.340 54.381 54.000 0.068 0.000 0.833 113 D CB 0.064 40.905 40.800 0.067 0.000 0.961 113 D HN 0.055 nan 8.370 nan 0.000 0.470 114 V N 1.203 121.116 119.914 -0.001 0.000 2.252 114 V HA -0.248 3.873 4.120 0.001 0.000 0.249 114 V C 2.758 178.927 176.094 0.124 0.000 1.056 114 V CA 1.216 63.477 62.300 -0.065 0.000 1.022 114 V CB -0.594 31.025 31.823 -0.340 0.000 0.641 114 V HN 0.041 nan 8.190 nan 0.000 0.445 115 V N 0.247 120.241 119.914 0.134 0.000 2.255 115 V HA -0.313 3.807 4.120 0.001 0.000 0.247 115 V C 2.706 178.918 176.094 0.196 0.000 1.051 115 V CA 2.288 64.700 62.300 0.186 0.000 1.018 115 V CB -1.231 30.669 31.823 0.128 0.000 0.641 115 V HN 0.586 nan 8.190 nan 0.000 0.445 116 A N -1.355 121.550 122.820 0.141 0.000 1.933 116 A HA -0.286 4.035 4.320 0.001 0.000 0.218 116 A C 2.399 180.073 177.584 0.150 0.000 1.175 116 A CA 2.051 54.166 52.037 0.131 0.000 0.628 116 A CB -1.145 17.912 19.000 0.095 0.000 0.814 116 A HN 0.622 nan 8.150 nan 0.000 0.444 117 C N -1.545 117.830 119.300 0.124 0.000 2.432 117 C HA -0.086 4.374 4.460 0.001 0.000 0.277 117 C C 2.427 177.529 174.990 0.187 0.000 1.249 117 C CA 1.179 60.266 59.018 0.116 0.000 1.725 117 C CB -1.601 26.160 27.740 0.034 0.000 2.028 117 C HN 0.593 nan 8.230 nan 0.000 0.477 118 F N 1.315 121.386 119.950 0.201 0.000 2.134 118 F HA -0.065 4.462 4.527 0.001 0.000 0.299 118 F C 2.422 178.329 175.800 0.178 0.000 1.097 118 F CA 2.133 60.250 58.000 0.196 0.000 1.264 118 F CB -0.731 38.346 39.000 0.128 0.000 1.001 118 F HN 0.347 nan 8.300 nan 0.000 0.479 119 E N -1.077 119.317 120.200 0.323 0.000 2.051 119 E HA -0.288 4.062 4.350 0.001 0.000 0.192 119 E C 2.012 178.703 176.600 0.152 0.000 0.991 119 E CA 1.620 58.143 56.400 0.204 0.000 0.799 119 E CB -0.518 29.279 29.700 0.161 0.000 0.748 119 E HN 0.501 nan 8.360 nan 0.000 0.449 120 Y N 0.198 120.503 120.300 0.008 0.000 2.128 120 Y HA -0.303 4.248 4.550 0.001 0.000 0.284 120 Y C 1.802 177.582 175.900 -0.199 0.000 1.154 120 Y CA 1.738 59.752 58.100 -0.144 0.000 1.149 120 Y CB -0.389 37.906 38.460 -0.275 0.000 0.976 120 Y HN 0.063 nan 8.280 nan 0.000 0.505 121 Y N -0.484 119.846 120.300 0.050 0.000 2.373 121 Y HA -0.064 4.486 4.550 0.001 0.000 0.293 121 Y C 2.585 178.474 175.900 -0.019 0.000 1.129 121 Y CA 0.671 58.749 58.100 -0.038 0.000 1.226 121 Y CB -0.619 37.877 38.460 0.061 0.000 1.000 121 Y HN 0.257 nan 8.280 nan 0.000 0.549 122 A N 0.447 123.371 122.820 0.173 0.000 1.892 122 A HA -0.208 4.112 4.320 0.001 0.000 0.218 122 A C 2.552 180.143 177.584 0.011 0.000 1.188 122 A CA 2.025 54.133 52.037 0.117 0.000 0.631 122 A CB -1.536 17.546 19.000 0.136 0.000 0.822 122 A HN 0.477 nan 8.150 nan 0.000 0.447 123 G N -0.484 108.277 108.800 -0.066 0.000 2.446 123 G HA2 -0.149 3.811 3.960 0.001 0.000 0.217 123 G HA3 -0.149 3.811 3.960 0.001 0.000 0.217 123 G C 1.420 176.220 174.900 -0.167 0.000 1.168 123 G CA 1.248 46.271 45.100 -0.128 0.000 0.771 123 G HN 0.365 nan 8.290 nan 0.000 0.551 124 L N 1.321 122.386 121.223 -0.264 0.000 2.083 124 L HA 0.064 4.404 4.340 0.001 0.000 0.209 124 L C 3.282 180.114 176.870 -0.064 0.000 1.083 124 L CA 1.677 56.398 54.840 -0.197 0.000 0.752 124 L CB -0.711 41.209 42.059 -0.231 0.000 0.899 124 L HN 0.290 nan 8.230 nan 0.000 0.433 125 A N -0.767 122.046 122.820 -0.013 0.000 1.908 125 A HA -0.257 4.063 4.320 0.001 0.000 0.218 125 A C 2.237 179.801 177.584 -0.033 0.000 1.181 125 A CA 1.878 53.913 52.037 -0.003 0.000 0.627 125 A CB -0.549 18.468 19.000 0.028 0.000 0.818 125 A HN 0.494 nan 8.150 nan 0.000 0.445 126 E N -0.355 119.823 120.200 -0.037 0.000 2.085 126 E HA -0.210 4.140 4.350 0.001 0.000 0.194 126 E C 1.951 178.522 176.600 -0.049 0.000 0.994 126 E CA 1.548 57.922 56.400 -0.042 0.000 0.801 126 E CB -0.165 29.512 29.700 -0.039 0.000 0.743 126 E HN 0.765 nan 8.360 nan 0.000 0.453 127 E N 0.240 120.404 120.200 -0.060 0.000 2.285 127 E HA -0.124 4.227 4.350 0.001 0.000 0.194 127 E C 1.909 178.477 176.600 -0.052 0.000 0.997 127 E CA 0.117 56.481 56.400 -0.060 0.000 0.845 127 E CB 0.057 29.711 29.700 -0.076 0.000 0.782 127 E HN 0.093 nan 8.360 nan 0.000 0.491 128 L N 1.644 122.838 121.223 -0.048 0.000 2.079 128 L HA -0.216 4.125 4.340 0.001 0.000 0.210 128 L C 1.520 178.366 176.870 -0.041 0.000 1.081 128 L CA 1.789 56.605 54.840 -0.040 0.000 0.752 128 L CB -0.218 41.822 42.059 -0.031 0.000 0.896 128 L HN 0.061 nan 8.230 nan 0.000 0.433 129 D N -1.130 119.243 120.400 -0.045 0.000 2.144 129 D HA -0.156 4.484 4.640 0.001 0.000 0.199 129 D C 2.086 178.358 176.300 -0.047 0.000 0.984 129 D CA 1.638 55.610 54.000 -0.046 0.000 0.834 129 D CB 0.060 40.831 40.800 -0.048 0.000 0.955 129 D HN 0.390 nan 8.370 nan 0.000 0.465 130 S N 0.707 116.379 115.700 -0.046 0.000 2.423 130 S HA -0.095 4.375 4.470 0.001 0.000 0.231 130 S C 1.763 176.335 174.600 -0.046 0.000 1.014 130 S CA 0.820 58.992 58.200 -0.046 0.000 0.965 130 S CB 0.034 63.208 63.200 -0.043 0.000 0.785 130 S HN 0.264 nan 8.310 nan 0.000 0.495 131 K N 0.664 121.038 120.400 -0.043 0.000 2.365 131 K HA 0.101 4.421 4.320 0.001 0.000 0.197 131 K C 0.444 177.026 176.600 -0.030 0.000 1.042 131 K CA 0.330 56.594 56.287 -0.037 0.000 0.987 131 K CB 0.128 32.606 32.500 -0.038 0.000 0.779 131 K HN 0.292 nan 8.250 nan 0.000 0.484 132 Q N 1.130 120.909 119.800 -0.035 0.000 2.392 132 Q HA 0.018 4.358 4.340 0.001 0.000 0.262 132 Q C -0.086 175.876 176.000 -0.063 0.000 1.003 132 Q CA 0.538 56.323 55.803 -0.029 0.000 0.888 132 Q CB 0.944 29.663 28.738 -0.032 0.000 1.260 132 Q HN 0.092 nan 8.270 nan 0.000 0.435 133 K N -1.033 119.337 120.400 -0.050 0.000 3.230 133 K HA -0.194 4.126 4.320 0.001 0.000 0.285 133 K C -0.489 176.058 176.600 -0.089 0.000 1.196 133 K CA 0.595 56.760 56.287 -0.203 0.000 0.838 133 K CB -1.592 30.620 32.500 -0.479 0.000 1.262 133 K HN 0.780 nan 8.250 nan 0.000 0.492 134 A N 2.075 124.904 122.820 0.014 0.000 2.522 134 A HA 0.219 4.540 4.320 0.001 0.000 0.256 134 A C -1.593 176.042 177.584 0.086 0.000 1.086 134 A CA -0.625 51.428 52.037 0.026 0.000 0.763 134 A CB -0.136 18.875 19.000 0.018 0.000 1.024 134 A HN 0.049 nan 8.150 nan 0.000 0.502 135 P HA 0.302 nan 4.420 nan 0.000 0.275 135 P C -0.681 176.667 177.300 0.079 0.000 1.228 135 P CA -0.086 63.077 63.100 0.105 0.000 0.786 135 P CB 0.899 32.638 31.700 0.064 0.000 0.927 136 I N 1.448 122.068 120.570 0.085 0.000 2.389 136 I HA 0.157 4.327 4.170 0.001 0.000 0.288 136 I C 0.491 176.637 176.117 0.048 0.000 0.999 136 I CA -0.530 60.800 61.300 0.050 0.000 1.129 136 I CB 1.285 39.304 38.000 0.032 0.000 1.288 136 I HN 0.233 nan 8.210 nan 0.000 0.444 137 S N 6.564 122.286 115.700 0.036 0.000 2.531 137 S HA 0.484 4.954 4.470 0.001 0.000 0.279 137 S C -0.114 174.506 174.600 0.034 0.000 1.305 137 S CA -0.406 57.816 58.200 0.037 0.000 1.058 137 S CB 0.815 64.032 63.200 0.027 0.000 0.899 137 S HN 0.260 nan 8.310 nan 0.000 0.493 138 L N 4.336 125.588 121.223 0.047 0.000 2.333 138 L HA 0.520 4.860 4.340 0.001 0.000 0.269 138 L C -1.122 175.781 176.870 0.054 0.000 1.010 138 L CA -1.720 53.149 54.840 0.048 0.000 0.818 138 L CB 0.767 42.870 42.059 0.074 0.000 1.306 138 L HN 0.380 nan 8.230 nan 0.000 0.430 139 P HA 0.055 nan 4.420 nan 0.000 0.231 139 P C 0.036 177.382 177.300 0.077 0.000 1.168 139 P CA 0.779 63.909 63.100 0.050 0.000 0.779 139 P CB 0.493 32.214 31.700 0.034 0.000 0.844 140 M N 0.514 120.184 119.600 0.116 0.000 2.472 140 M HA 0.134 4.614 4.480 0.001 0.000 0.331 140 M C 0.633 177.033 176.300 0.166 0.000 1.170 140 M CA -0.566 54.836 55.300 0.169 0.000 1.009 140 M CB 1.817 34.588 32.600 0.285 0.000 1.672 140 M HN -0.265 nan 8.290 nan 0.000 0.453 141 D N -1.409 119.071 120.400 0.133 0.000 2.354 141 D HA -0.076 4.564 4.640 0.001 0.000 0.209 141 D C 1.408 177.750 176.300 0.070 0.000 1.015 141 D CA 0.662 54.716 54.000 0.089 0.000 0.867 141 D CB -0.514 40.317 40.800 0.051 0.000 0.933 141 D HN 0.675 nan 8.370 nan 0.000 0.520 142 T N -2.876 111.747 114.554 0.115 0.000 3.118 142 T HA 0.120 4.470 4.350 0.001 0.000 0.260 142 T C 0.128 174.713 174.700 -0.192 0.000 1.139 142 T CA 0.083 62.168 62.100 -0.025 0.000 1.085 142 T CB -0.494 68.440 68.868 0.111 0.000 0.934 142 T HN 0.017 nan 8.240 nan 0.000 0.518 143 F N 0.255 120.275 119.950 0.115 0.000 2.576 143 F HA 0.672 5.199 4.527 0.001 0.000 0.313 143 F C 0.081 175.918 175.800 0.062 0.000 1.078 143 F CA -1.305 56.763 58.000 0.114 0.000 0.921 143 F CB 2.341 41.415 39.000 0.123 0.000 1.232 143 F HN -0.271 nan 8.300 nan 0.000 0.459 144 K N 0.805 121.349 120.400 0.240 0.000 2.328 144 K HA 0.774 5.094 4.320 0.001 0.000 0.246 144 K C -1.367 175.313 176.600 0.134 0.000 0.955 144 K CA -0.782 55.601 56.287 0.160 0.000 0.817 144 K CB 2.227 34.802 32.500 0.125 0.000 1.208 144 K HN 0.563 nan 8.250 nan 0.000 0.432 145 S N 1.750 117.514 115.700 0.107 0.000 2.543 145 S HA 0.599 5.070 4.470 0.001 0.000 0.271 145 S C -1.846 172.810 174.600 0.092 0.000 1.148 145 S CA -0.672 57.538 58.200 0.017 0.000 0.914 145 S CB 0.555 63.759 63.200 0.005 0.000 1.096 145 S HN 0.562 nan 8.310 nan 0.000 0.471 146 Y N 1.806 122.118 120.300 0.020 0.000 2.818 146 Y HA 0.867 5.418 4.550 0.001 0.000 0.322 146 Y C -1.033 174.869 175.900 0.002 0.000 1.323 146 Y CA -1.521 56.584 58.100 0.008 0.000 1.090 146 Y CB 0.428 38.892 38.460 0.006 0.000 1.328 146 Y HN 0.611 nan 8.280 nan 0.000 0.482 147 I N -0.153 120.576 120.570 0.265 0.000 2.689 147 I HA 0.736 4.906 4.170 0.001 0.000 0.299 147 I C -1.756 174.480 176.117 0.199 0.000 1.059 147 I CA -1.205 60.179 61.300 0.140 0.000 1.055 147 I CB 2.198 40.233 38.000 0.060 0.000 1.243 147 I HN 0.643 nan 8.210 nan 0.000 0.425 148 L N 4.410 125.710 121.223 0.128 0.000 2.334 148 L HA 0.600 4.941 4.340 0.001 0.000 0.273 148 L C -0.297 176.604 176.870 0.053 0.000 1.013 148 L CA -0.823 54.079 54.840 0.103 0.000 0.816 148 L CB 1.842 43.966 42.059 0.109 0.000 1.278 148 L HN 0.588 nan 8.230 nan 0.000 0.431 149 K N 3.164 123.587 120.400 0.037 0.000 2.347 149 K HA 0.410 4.730 4.320 0.001 0.000 0.262 149 K C -0.975 175.641 176.600 0.027 0.000 1.052 149 K CA -0.399 55.904 56.287 0.026 0.000 0.946 149 K CB 1.462 33.970 32.500 0.014 0.000 1.220 149 K HN 0.523 nan 8.250 nan 0.000 0.450 150 E N 3.466 123.686 120.200 0.033 0.000 2.202 150 E HA 0.278 4.628 4.350 0.001 0.000 0.272 150 E C -2.371 174.261 176.600 0.052 0.000 0.951 150 E CA -2.343 54.079 56.400 0.036 0.000 0.813 150 E CB 1.486 31.207 29.700 0.035 0.000 1.151 150 E HN 0.270 nan 8.360 nan 0.000 0.398 151 P HA -0.045 nan 4.420 nan 0.000 0.269 151 P C 0.401 177.758 177.300 0.096 0.000 1.209 151 P CA 0.166 63.321 63.100 0.091 0.000 0.776 151 P CB 0.805 32.563 31.700 0.095 0.000 0.876 152 I N 1.043 121.687 120.570 0.123 0.000 2.546 152 I HA 0.032 4.202 4.170 0.001 0.000 0.255 152 I C 1.226 177.405 176.117 0.102 0.000 1.163 152 I CA 2.122 63.487 61.300 0.108 0.000 1.457 152 I CB -0.583 37.491 38.000 0.123 0.000 1.092 152 I HN 0.781 nan 8.210 nan 0.000 0.434 153 G N -0.696 108.173 108.800 0.115 0.000 2.246 153 G HA2 -0.129 3.832 3.960 0.001 0.000 0.196 153 G HA3 -0.129 3.832 3.960 0.001 0.000 0.196 153 G C -0.668 174.288 174.900 0.094 0.000 1.180 153 G CA -0.246 44.912 45.100 0.097 0.000 1.291 153 G HN 0.064 nan 8.290 nan 0.000 0.508 154 V N 1.970 121.928 119.914 0.072 0.000 2.461 154 V HA 0.551 4.672 4.120 0.001 0.000 0.275 154 V C 0.726 176.865 176.094 0.075 0.000 1.047 154 V CA 0.172 62.503 62.300 0.051 0.000 0.955 154 V CB 0.830 32.665 31.823 0.020 0.000 0.988 154 V HN 1.508 nan 8.190 nan 0.000 0.471 155 V N 2.572 122.531 119.914 0.075 0.000 2.540 155 V HA 0.961 5.082 4.120 0.001 0.000 0.302 155 V C 0.027 176.175 176.094 0.091 0.000 1.035 155 V CA -0.910 61.461 62.300 0.119 0.000 0.873 155 V CB 1.546 33.484 31.823 0.192 0.000 0.992 155 V HN 0.954 nan 8.190 nan 0.000 0.428 156 A N 5.626 128.512 122.820 0.111 0.000 2.274 156 A HA 0.831 5.152 4.320 0.001 0.000 0.309 156 A C -0.813 176.857 177.584 0.143 0.000 1.226 156 A CA -0.453 51.645 52.037 0.103 0.000 0.853 156 A CB 0.589 19.645 19.000 0.095 0.000 1.146 156 A HN 0.859 nan 8.150 nan 0.000 0.518 157 L N 3.844 125.143 121.223 0.127 0.000 2.316 157 L HA 0.514 4.855 4.340 0.001 0.000 0.280 157 L C -0.457 176.497 176.870 0.140 0.000 1.006 157 L CA -0.049 54.877 54.840 0.143 0.000 0.836 157 L CB 0.880 43.003 42.059 0.107 0.000 1.221 157 L HN 0.599 nan 8.230 nan 0.000 0.418 158 I N 2.969 123.645 120.570 0.178 0.000 2.410 158 I HA 0.515 4.686 4.170 0.001 0.000 0.286 158 I C 0.071 176.227 176.117 0.065 0.000 1.009 158 I CA -0.346 61.071 61.300 0.195 0.000 1.111 158 I CB 2.002 40.227 38.000 0.375 0.000 1.262 158 I HN 0.611 nan 8.210 nan 0.000 0.443 159 T N 3.774 118.340 114.554 0.020 0.000 2.916 159 T HA 0.692 5.042 4.350 0.001 0.000 0.292 159 T C -2.805 171.841 174.700 -0.090 0.000 1.055 159 T CA -2.070 59.989 62.100 -0.067 0.000 1.009 159 T CB 2.395 71.259 68.868 -0.007 0.000 1.118 159 T HN 0.231 nan 8.240 nan 0.000 0.497 160 P HA 0.289 nan 4.420 nan 0.000 0.281 160 P C 0.622 177.843 177.300 -0.132 0.000 1.281 160 P CA -0.859 62.085 63.100 -0.259 0.000 0.811 160 P CB 0.991 32.443 31.700 -0.413 0.000 1.154 161 W N 1.024 122.330 121.300 0.009 0.000 3.197 161 W HA 0.041 4.701 4.660 0.001 0.000 0.274 161 W C 0.845 177.340 176.519 -0.041 0.000 1.297 161 W CA 0.123 57.466 57.345 -0.004 0.000 1.662 161 W CB -1.402 28.059 29.460 0.000 0.000 1.106 161 W HN 0.251 nan 8.180 nan 0.000 0.663 162 N N 1.680 120.257 118.700 -0.205 0.000 2.300 162 N HA -0.190 4.551 4.740 0.001 0.000 0.179 162 N C -0.259 174.983 175.510 -0.448 0.000 1.016 162 N CA 0.857 53.751 53.050 -0.261 0.000 0.876 162 N CB -1.134 37.078 38.487 -0.459 0.000 0.979 162 N HN 0.199 nan 8.380 nan 0.000 0.432 163 Y N 0.124 120.316 120.300 -0.180 0.000 2.584 163 Y HA 0.430 4.980 4.550 0.001 0.000 0.358 163 Y C -1.761 174.070 175.900 -0.115 0.000 1.028 163 Y CA -2.112 55.880 58.100 -0.181 0.000 1.148 163 Y CB 1.854 40.110 38.460 -0.340 0.000 1.126 163 Y HN -0.027 nan 8.280 nan 0.000 0.658 164 P HA -0.265 nan 4.420 nan 0.000 0.214 164 P C 1.679 179.092 177.300 0.188 0.000 1.169 164 P CA 1.578 64.749 63.100 0.117 0.000 0.908 164 P CB 0.198 31.967 31.700 0.116 0.000 0.791 165 F N -0.469 119.492 119.950 0.019 0.000 2.187 165 F HA -0.007 4.520 4.527 0.001 0.000 0.295 165 F C 2.053 177.861 175.800 0.013 0.000 1.091 165 F CA 0.610 58.632 58.000 0.038 0.000 1.308 165 F CB -1.286 37.749 39.000 0.059 0.000 1.030 165 F HN -0.252 nan 8.300 nan 0.000 0.487 166 L N -0.109 121.114 121.223 -0.000 0.000 2.056 166 L HA -0.162 4.178 4.340 0.001 0.000 0.207 166 L C 2.171 178.796 176.870 -0.408 0.000 1.078 166 L CA 1.617 56.313 54.840 -0.239 0.000 0.749 166 L CB -0.797 41.096 42.059 -0.276 0.000 0.901 166 L HN -0.005 nan 8.230 nan 0.000 0.433 167 M N -0.547 118.820 119.600 -0.389 0.000 2.117 167 M HA -0.135 4.345 4.480 0.001 0.000 0.262 167 M C 2.440 178.689 176.300 -0.085 0.000 1.065 167 M CA 1.781 56.854 55.300 -0.377 0.000 1.114 167 M CB -1.784 30.651 32.600 -0.275 0.000 1.361 167 M HN 0.405 nan 8.290 nan 0.000 0.408 168 A N -0.192 122.631 122.820 0.005 0.000 1.883 168 A HA -0.176 4.145 4.320 0.001 0.000 0.217 168 A C 2.336 179.956 177.584 0.060 0.000 1.186 168 A CA 2.501 54.588 52.037 0.084 0.000 0.624 168 A CB -1.238 17.873 19.000 0.186 0.000 0.822 168 A HN 0.504 nan 8.150 nan 0.000 0.444 169 T N -1.662 112.891 114.554 -0.002 0.000 2.746 169 T HA -0.184 4.167 4.350 0.001 0.000 0.267 169 T C 1.463 176.119 174.700 -0.074 0.000 1.039 169 T CA 1.345 63.348 62.100 -0.162 0.000 1.142 169 T CB -0.365 68.317 68.868 -0.309 0.000 0.866 169 T HN 0.655 nan 8.240 nan 0.000 0.444 170 W N 2.772 123.953 121.300 -0.199 0.000 2.341 170 W HA -0.078 4.583 4.660 0.001 0.000 0.283 170 W C 2.218 178.669 176.519 -0.113 0.000 1.215 170 W CA 0.709 57.968 57.345 -0.143 0.000 1.211 170 W CB -0.226 29.153 29.460 -0.135 0.000 1.131 170 W HN 0.377 nan 8.180 nan 0.000 0.552 171 K N -0.566 119.908 120.400 0.124 0.000 2.287 171 K HA 0.115 4.435 4.320 0.001 0.000 0.199 171 K C 1.912 178.403 176.600 -0.181 0.000 1.061 171 K CA 1.136 57.456 56.287 0.055 0.000 0.976 171 K CB -1.156 31.446 32.500 0.171 0.000 0.898 171 K HN 0.333 nan 8.250 nan 0.000 0.492 172 I N 0.138 120.636 120.570 -0.121 0.000 2.252 172 I HA -0.052 4.118 4.170 0.001 0.000 0.245 172 I C 2.511 178.533 176.117 -0.157 0.000 1.102 172 I CA 1.309 62.539 61.300 -0.117 0.000 1.385 172 I CB -0.370 37.658 38.000 0.046 0.000 1.064 172 I HN 0.008 nan 8.210 nan 0.000 0.414 173 A N 2.255 124.908 122.820 -0.278 0.000 1.883 173 A HA -0.049 4.272 4.320 0.001 0.000 0.217 173 A C 0.472 177.863 177.584 -0.322 0.000 1.186 173 A CA 2.043 53.925 52.037 -0.258 0.000 0.624 173 A CB -2.198 16.510 19.000 -0.487 0.000 0.822 173 A HN 0.490 nan 8.150 nan 0.000 0.444 174 P HA -0.083 nan 4.420 nan 0.000 0.217 174 P C 1.638 178.696 177.300 -0.403 0.000 1.151 174 P CA 1.857 64.534 63.100 -0.704 0.000 0.828 174 P CB -0.190 31.082 31.700 -0.715 0.000 0.788 175 A N 0.607 123.010 122.820 -0.695 0.000 1.883 175 A HA -0.154 4.166 4.320 0.001 0.000 0.217 175 A C 2.456 179.953 177.584 -0.146 0.000 1.186 175 A CA 1.583 53.191 52.037 -0.716 0.000 0.624 175 A CB -1.622 16.868 19.000 -0.850 0.000 0.822 175 A HN 0.108 nan 8.150 nan 0.000 0.444 176 L N -0.997 120.223 121.223 -0.005 0.000 2.056 176 L HA -0.159 4.181 4.340 0.001 0.000 0.207 176 L C 3.094 180.147 176.870 0.306 0.000 1.078 176 L CA 1.054 56.083 54.840 0.315 0.000 0.749 176 L CB -0.768 41.507 42.059 0.360 0.000 0.901 176 L HN 0.448 nan 8.230 nan 0.000 0.433 177 A N 0.307 123.217 122.820 0.150 0.000 1.978 177 A HA -0.164 4.157 4.320 0.001 0.000 0.220 177 A C 2.454 180.064 177.584 0.043 0.000 1.170 177 A CA 1.786 53.887 52.037 0.105 0.000 0.636 177 A CB -0.522 18.559 19.000 0.135 0.000 0.810 177 A HN 0.423 nan 8.150 nan 0.000 0.448 178 A N -2.152 120.700 122.820 0.053 0.000 2.067 178 A HA 0.391 4.712 4.320 0.001 0.000 0.217 178 A C 1.798 179.401 177.584 0.032 0.000 1.156 178 A CA 1.441 53.512 52.037 0.057 0.000 0.683 178 A CB -0.616 18.455 19.000 0.118 0.000 0.808 178 A HN 1.895 nan 8.150 nan 0.000 0.455 179 G N -2.439 106.391 108.800 0.049 0.000 2.143 179 G HA2 -0.165 3.795 3.960 0.001 0.000 0.175 179 G HA3 -0.165 3.795 3.960 0.001 0.000 0.175 179 G C 0.034 175.098 174.900 0.272 0.000 1.004 179 G CA -0.193 44.903 45.100 -0.007 0.000 0.671 179 G HN 0.541 nan 8.290 nan 0.000 0.512 180 C N 0.757 120.240 119.300 0.306 0.000 2.382 180 C HA 0.876 5.336 4.460 0.001 0.000 0.363 180 C C 1.104 176.216 174.990 0.203 0.000 1.213 180 C CA 0.355 59.509 59.018 0.226 0.000 2.363 180 C CB 1.053 28.860 27.740 0.112 0.000 2.397 180 C HN 1.147 nan 8.230 nan 0.000 0.573 181 A N 1.308 124.171 122.820 0.071 0.000 2.317 181 A HA 0.812 5.133 4.320 0.001 0.000 0.327 181 A C -0.313 177.238 177.584 -0.055 0.000 1.178 181 A CA -0.251 51.740 52.037 -0.077 0.000 0.817 181 A CB 0.665 19.612 19.000 -0.088 0.000 1.189 181 A HN 1.273 nan 8.150 nan 0.000 0.489 182 A N 1.735 124.501 122.820 -0.090 0.000 2.355 182 A HA 0.783 5.103 4.320 0.001 0.000 0.324 182 A C -0.890 176.672 177.584 -0.037 0.000 1.117 182 A CA -0.435 51.574 52.037 -0.047 0.000 0.785 182 A CB 0.632 19.602 19.000 -0.051 0.000 1.254 182 A HN 0.711 nan 8.150 nan 0.000 0.453 183 I N 1.806 122.372 120.570 -0.007 0.000 2.410 183 I HA 0.360 4.530 4.170 0.001 0.000 0.286 183 I C -0.661 175.480 176.117 0.040 0.000 1.009 183 I CA -0.300 61.003 61.300 0.004 0.000 1.111 183 I CB 1.738 39.729 38.000 -0.014 0.000 1.262 183 I HN 0.563 nan 8.210 nan 0.000 0.443 184 L N 7.324 128.581 121.223 0.055 0.000 2.295 184 L HA 0.567 4.907 4.340 0.001 0.000 0.285 184 L C -0.441 176.478 176.870 0.082 0.000 1.035 184 L CA -0.082 54.804 54.840 0.077 0.000 0.806 184 L CB 0.717 42.828 42.059 0.088 0.000 1.214 184 L HN 0.373 nan 8.230 nan 0.000 0.426 185 K N 7.161 127.616 120.400 0.091 0.000 2.540 185 K HA 0.463 4.783 4.320 0.001 0.000 0.218 185 K C -2.730 173.930 176.600 0.100 0.000 1.017 185 K CA -2.074 54.269 56.287 0.093 0.000 1.029 185 K CB 1.053 33.611 32.500 0.097 0.000 1.348 185 K HN 0.403 nan 8.250 nan 0.000 0.508 186 P HA 0.035 nan 4.420 nan 0.000 0.274 186 P C -0.135 177.230 177.300 0.107 0.000 1.256 186 P CA -0.347 62.811 63.100 0.096 0.000 0.795 186 P CB 0.719 32.473 31.700 0.091 0.000 1.038 187 S N 0.349 116.130 115.700 0.134 0.000 2.549 187 S HA 0.015 4.486 4.470 0.001 0.000 0.279 187 S C 1.514 176.192 174.600 0.129 0.000 1.321 187 S CA -0.498 57.809 58.200 0.178 0.000 1.054 187 S CB -0.116 63.282 63.200 0.329 0.000 0.899 187 S HN 0.453 nan 8.310 nan 0.000 0.497 188 E N 4.912 125.169 120.200 0.094 0.000 2.396 188 E HA -0.171 4.180 4.350 0.001 0.000 0.200 188 E C 1.426 178.032 176.600 0.011 0.000 1.023 188 E CA 1.043 57.469 56.400 0.043 0.000 0.857 188 E CB -0.381 29.334 29.700 0.026 0.000 0.775 188 E HN 0.779 nan 8.360 nan 0.000 0.525 189 L N 0.101 121.328 121.223 0.007 0.000 2.270 189 L HA 0.155 4.495 4.340 0.001 0.000 0.210 189 L C 1.245 178.095 176.870 -0.032 0.000 1.104 189 L CA 0.783 55.569 54.840 -0.091 0.000 0.804 189 L CB 0.119 41.979 42.059 -0.332 0.000 0.937 189 L HN 0.079 nan 8.230 nan 0.000 0.450 190 A N -1.414 121.445 122.820 0.064 0.000 2.984 190 A HA 0.480 4.801 4.320 0.001 0.000 0.320 190 A C 0.340 177.963 177.584 0.064 0.000 1.142 190 A CA -0.291 51.787 52.037 0.068 0.000 0.772 190 A CB 0.821 19.898 19.000 0.129 0.000 1.195 190 A HN -0.017 nan 8.150 nan 0.000 0.459 191 S N -0.117 115.600 115.700 0.029 0.000 2.523 191 S HA 0.012 4.483 4.470 0.001 0.000 0.217 191 S C 2.012 176.605 174.600 -0.011 0.000 0.996 191 S CA 0.882 59.096 58.200 0.025 0.000 0.921 191 S CB 0.222 63.440 63.200 0.030 0.000 0.829 191 S HN 1.240 nan 8.310 nan 0.000 0.495 192 V N 1.861 121.753 119.914 -0.036 0.000 2.295 192 V HA -0.143 3.977 4.120 0.001 0.000 0.246 192 V C 2.368 178.387 176.094 -0.125 0.000 1.049 192 V CA 2.358 64.616 62.300 -0.070 0.000 1.024 192 V CB -1.984 29.797 31.823 -0.070 0.000 0.648 192 V HN 0.598 nan 8.190 nan 0.000 0.447 193 T N -2.677 111.771 114.554 -0.176 0.000 2.904 193 T HA -0.164 4.187 4.350 0.001 0.000 0.267 193 T C 1.937 176.331 174.700 -0.510 0.000 1.059 193 T CA 1.620 63.483 62.100 -0.396 0.000 1.137 193 T CB -1.310 67.270 68.868 -0.481 0.000 0.879 193 T HN 0.583 nan 8.240 nan 0.000 0.467 194 C N 0.932 120.090 119.300 -0.236 0.000 2.440 194 C HA 0.236 4.696 4.460 0.001 0.000 0.278 194 C C 2.740 177.699 174.990 -0.052 0.000 1.295 194 C CA 0.073 59.038 59.018 -0.087 0.000 1.738 194 C CB -1.509 26.259 27.740 0.048 0.000 1.987 194 C HN 0.532 nan 8.230 nan 0.000 0.492 195 L N 0.611 121.816 121.223 -0.030 0.000 2.141 195 L HA -0.097 4.244 4.340 0.001 0.000 0.209 195 L C 2.633 179.532 176.870 0.049 0.000 1.094 195 L CA 1.135 56.013 54.840 0.064 0.000 0.763 195 L CB -0.573 41.520 42.059 0.057 0.000 0.908 195 L HN 0.290 nan 8.230 nan 0.000 0.437 196 E N -0.039 120.105 120.200 -0.094 0.000 2.268 196 E HA -0.197 4.153 4.350 0.001 0.000 0.195 196 E C 2.062 178.591 176.600 -0.119 0.000 0.995 196 E CA 0.833 57.167 56.400 -0.111 0.000 0.836 196 E CB -0.163 29.420 29.700 -0.194 0.000 0.763 196 E HN 0.292 nan 8.360 nan 0.000 0.491 197 L N 0.413 121.541 121.223 -0.159 0.000 2.291 197 L HA 0.041 4.382 4.340 0.001 0.000 0.214 197 L C 1.977 178.708 176.870 -0.232 0.000 1.120 197 L CA 1.692 56.479 54.840 -0.087 0.000 0.799 197 L CB -0.623 41.485 42.059 0.081 0.000 0.925 197 L HN 0.073 nan 8.230 nan 0.000 0.446 198 G N -1.074 107.509 108.800 -0.361 0.000 2.402 198 G HA2 -0.295 3.665 3.960 0.001 0.000 0.216 198 G HA3 -0.295 3.665 3.960 0.001 0.000 0.216 198 G C 1.465 175.787 174.900 -0.963 0.000 1.162 198 G CA 0.754 45.180 45.100 -1.124 0.000 0.777 198 G HN 0.430 nan 8.290 nan 0.000 0.539 199 E N 0.712 120.816 120.200 -0.159 0.000 2.110 199 E HA -0.053 4.297 4.350 0.001 0.000 0.193 199 E C 2.384 178.948 176.600 -0.060 0.000 0.988 199 E CA 0.721 57.163 56.400 0.070 0.000 0.804 199 E CB -0.374 29.450 29.700 0.207 0.000 0.745 199 E HN 0.512 nan 8.360 nan 0.000 0.458 200 I N -0.325 120.185 120.570 -0.099 0.000 2.226 200 I HA -0.333 3.837 4.170 0.001 0.000 0.245 200 I C 2.262 178.323 176.117 -0.093 0.000 1.100 200 I CA 0.842 62.099 61.300 -0.071 0.000 1.374 200 I CB -0.238 37.731 38.000 -0.051 0.000 1.057 200 I HN 0.247 nan 8.210 nan 0.000 0.413 201 C N 0.401 119.588 119.300 -0.188 0.000 2.425 201 C HA -0.159 4.301 4.460 0.001 0.000 0.277 201 C C 2.800 177.763 174.990 -0.046 0.000 1.280 201 C CA 0.824 59.758 59.018 -0.140 0.000 1.744 201 C CB -0.895 26.712 27.740 -0.222 0.000 1.989 201 C HN 0.425 nan 8.230 nan 0.000 0.491 202 K N 0.846 121.201 120.400 -0.075 0.000 2.025 202 K HA -0.133 4.187 4.320 0.001 0.000 0.207 202 K C 1.903 178.528 176.600 0.041 0.000 1.049 202 K CA 1.330 57.636 56.287 0.031 0.000 0.933 202 K CB -0.116 32.410 32.500 0.044 0.000 0.714 202 K HN 0.522 nan 8.250 nan 0.000 0.438 203 E N -0.366 119.850 120.200 0.027 0.000 2.268 203 E HA -0.115 4.236 4.350 0.001 0.000 0.195 203 E C 1.326 177.953 176.600 0.044 0.000 0.995 203 E CA 0.684 57.106 56.400 0.038 0.000 0.836 203 E CB 0.366 30.084 29.700 0.029 0.000 0.763 203 E HN 0.065 nan 8.360 nan 0.000 0.491 204 V N -0.344 119.602 119.914 0.052 0.000 3.621 204 V HA 0.132 4.253 4.120 0.001 0.000 0.285 204 V C 1.032 177.229 176.094 0.172 0.000 1.346 204 V CA 0.716 63.070 62.300 0.090 0.000 1.104 204 V CB 0.545 32.419 31.823 0.086 0.000 0.913 204 V HN 0.426 nan 8.190 nan 0.000 0.432 205 G N 1.313 110.195 108.800 0.138 0.000 2.246 205 G HA2 -0.251 3.709 3.960 0.001 0.000 0.273 205 G HA3 -0.251 3.709 3.960 0.001 0.000 0.273 205 G C -0.061 174.951 174.900 0.187 0.000 1.055 205 G CA 0.417 45.614 45.100 0.163 0.000 0.851 205 G HN 0.422 nan 8.290 nan 0.000 0.500 206 L N 1.061 122.310 121.223 0.044 0.000 2.540 206 L HA 0.425 4.765 4.340 0.001 0.000 0.276 206 L C -1.291 175.404 176.870 -0.291 0.000 1.212 206 L CA -0.993 53.683 54.840 -0.274 0.000 0.893 206 L CB 0.152 42.072 42.059 -0.232 0.000 1.138 206 L HN 0.056 nan 8.230 nan 0.000 0.491 207 P HA 0.045 nan 4.420 nan 0.000 0.266 207 P C -0.830 176.315 177.300 -0.259 0.000 1.195 207 P CA -0.038 62.912 63.100 -0.249 0.000 0.768 207 P CB 0.287 31.873 31.700 -0.190 0.000 0.838 208 R N 2.375 122.768 120.500 -0.178 0.000 2.500 208 R HA 0.108 4.448 4.340 0.001 0.000 0.281 208 R C 1.465 177.625 176.300 -0.233 0.000 0.953 208 R CA 1.349 57.326 56.100 -0.205 0.000 1.108 208 R CB -0.832 29.373 30.300 -0.158 0.000 0.901 208 R HN 0.925 nan 8.270 nan 0.000 0.410 209 G N 1.289 109.923 108.800 -0.276 0.000 2.179 209 G HA2 -0.300 3.661 3.960 0.001 0.000 0.260 209 G HA3 -0.300 3.661 3.960 0.001 0.000 0.260 209 G C 0.763 175.499 174.900 -0.274 0.000 0.977 209 G CA 0.243 45.193 45.100 -0.250 0.000 0.641 209 G HN 0.453 nan 8.290 nan 0.000 0.533 210 V N -0.382 119.301 119.914 -0.384 0.000 2.379 210 V HA 0.268 4.388 4.120 0.001 0.000 0.245 210 V C 1.174 177.042 176.094 -0.375 0.000 1.044 210 V CA 1.979 63.935 62.300 -0.572 0.000 1.036 210 V CB 0.038 31.189 31.823 -1.122 0.000 0.664 210 V HN 0.488 nan 8.190 nan 0.000 0.453 211 L N 0.902 121.985 121.223 -0.233 0.000 2.376 211 L HA 0.534 4.875 4.340 0.001 0.000 0.275 211 L C -0.915 175.975 176.870 0.033 0.000 0.987 211 L CA -0.147 54.651 54.840 -0.070 0.000 0.828 211 L CB 1.507 43.558 42.059 -0.014 0.000 1.249 211 L HN 0.179 nan 8.230 nan 0.000 0.409 212 N N 5.307 124.014 118.700 0.012 0.000 2.284 212 N HA 0.694 5.434 4.740 0.001 0.000 0.300 212 N C -1.341 174.226 175.510 0.094 0.000 1.047 212 N CA -0.421 52.642 53.050 0.022 0.000 0.821 212 N CB 2.165 40.603 38.487 -0.082 0.000 1.337 212 N HN 0.461 nan 8.380 nan 0.000 0.482 213 I N 1.731 122.399 120.570 0.163 0.000 2.420 213 I HA 0.334 4.505 4.170 0.001 0.000 0.282 213 I C -0.954 175.243 176.117 0.133 0.000 1.019 213 I CA -0.877 60.515 61.300 0.153 0.000 1.130 213 I CB 1.432 39.540 38.000 0.180 0.000 1.262 213 I HN 0.141 nan 8.210 nan 0.000 0.454 214 V N 4.975 124.944 119.914 0.092 0.000 2.334 214 V HA 0.353 4.474 4.120 0.001 0.000 0.281 214 V C 0.303 176.441 176.094 0.074 0.000 1.016 214 V CA -0.360 61.984 62.300 0.075 0.000 0.832 214 V CB 1.746 33.596 31.823 0.045 0.000 0.999 214 V HN 0.785 nan 8.190 nan 0.000 0.439 215 T N 3.440 118.039 114.554 0.076 0.000 2.929 215 T HA 0.891 5.241 4.350 0.001 0.000 0.284 215 T C 0.114 174.837 174.700 0.039 0.000 1.014 215 T CA 0.533 62.670 62.100 0.062 0.000 1.051 215 T CB 1.554 70.461 68.868 0.065 0.000 1.028 215 T HN 1.358 nan 8.240 nan 0.000 0.485 216 G N 2.063 110.880 108.800 0.027 0.000 2.350 216 G HA2 0.326 4.286 3.960 0.001 0.000 0.282 216 G HA3 0.326 4.286 3.960 0.001 0.000 0.282 216 G C -1.921 172.969 174.900 -0.016 0.000 1.314 216 G CA -0.936 44.164 45.100 -0.000 0.000 0.915 216 G HN 0.817 nan 8.290 nan 0.000 0.499 217 L N 1.943 123.122 121.223 -0.074 0.000 2.426 217 L HA 0.502 4.842 4.340 0.001 0.000 0.271 217 L C 2.133 178.932 176.870 -0.118 0.000 1.169 217 L CA 1.252 56.015 54.840 -0.129 0.000 0.836 217 L CB 0.892 42.766 42.059 -0.309 0.000 1.112 217 L HN 1.051 nan 8.230 nan 0.000 0.465 218 G N 2.292 111.078 108.800 -0.024 0.000 2.469 218 G HA2 -0.277 3.683 3.960 0.001 0.000 0.219 218 G HA3 -0.277 3.683 3.960 0.001 0.000 0.219 218 G C 1.296 176.217 174.900 0.035 0.000 1.150 218 G CA 1.165 46.294 45.100 0.048 0.000 0.763 218 G HN 0.914 nan 8.290 nan 0.000 0.561 219 H N -0.360 118.735 119.070 0.041 0.000 2.529 219 H HA 0.259 4.816 4.556 0.001 0.000 0.277 219 H C 1.798 177.142 175.328 0.027 0.000 0.999 219 H CA 1.128 57.193 56.048 0.028 0.000 1.256 219 H CB 0.166 29.941 29.762 0.021 0.000 1.402 219 H HN 0.457 nan 8.280 nan 0.000 0.566 220 E N 1.088 121.105 120.200 -0.305 0.000 2.068 220 E HA 0.207 4.558 4.350 0.001 0.000 0.201 220 E C 2.533 179.104 176.600 -0.049 0.000 0.947 220 E CA 0.617 56.930 56.400 -0.145 0.000 0.909 220 E CB 0.042 29.620 29.700 -0.202 0.000 1.015 220 E HN 0.331 nan 8.360 nan 0.000 0.484 221 A N 0.815 123.605 122.820 -0.050 0.000 1.858 221 A HA -0.109 4.211 4.320 0.001 0.000 0.216 221 A C 2.318 179.917 177.584 0.025 0.000 1.190 221 A CA 2.017 54.053 52.037 -0.001 0.000 0.617 221 A CB -1.397 17.606 19.000 0.005 0.000 0.827 221 A HN 0.412 nan 8.150 nan 0.000 0.443 222 G N -0.631 108.186 108.800 0.030 0.000 2.421 222 G HA2 0.004 3.964 3.960 0.001 0.000 0.216 222 G HA3 0.004 3.964 3.960 0.001 0.000 0.216 222 G C 1.763 176.691 174.900 0.047 0.000 1.171 222 G CA 1.567 46.701 45.100 0.058 0.000 0.775 222 G HN 0.823 nan 8.290 nan 0.000 0.543 223 A N 0.711 123.555 122.820 0.040 0.000 1.902 223 A HA 0.035 4.355 4.320 0.001 0.000 0.217 223 A C 2.710 180.321 177.584 0.044 0.000 1.181 223 A CA 2.227 54.286 52.037 0.038 0.000 0.623 223 A CB -0.603 18.428 19.000 0.053 0.000 0.818 223 A HN 0.312 nan 8.150 nan 0.000 0.443 224 S N -0.441 115.289 115.700 0.049 0.000 2.368 224 S HA -0.147 4.323 4.470 0.001 0.000 0.225 224 S C 1.864 176.522 174.600 0.097 0.000 1.030 224 S CA 1.463 59.703 58.200 0.067 0.000 0.999 224 S CB -0.446 62.791 63.200 0.062 0.000 0.844 224 S HN 0.470 nan 8.310 nan 0.000 0.459 225 L N 2.031 123.301 121.223 0.078 0.000 1.994 225 L HA -0.013 4.327 4.340 0.001 0.000 0.208 225 L C 2.419 179.344 176.870 0.092 0.000 1.071 225 L CA 2.000 56.887 54.840 0.079 0.000 0.745 225 L CB -1.147 40.948 42.059 0.059 0.000 0.892 225 L HN 0.253 nan 8.230 nan 0.000 0.431 226 A N -1.139 121.722 122.820 0.068 0.000 1.940 226 A HA -0.201 4.119 4.320 0.001 0.000 0.219 226 A C 2.299 179.918 177.584 0.058 0.000 1.176 226 A CA 2.033 54.100 52.037 0.051 0.000 0.631 226 A CB -0.955 18.049 19.000 0.007 0.000 0.814 226 A HN 0.656 nan 8.150 nan 0.000 0.446 227 S N -1.642 114.095 115.700 0.062 0.000 2.575 227 S HA 0.064 4.534 4.470 0.001 0.000 0.215 227 S C 0.666 175.300 174.600 0.057 0.000 0.966 227 S CA -0.352 57.875 58.200 0.046 0.000 0.911 227 S CB -0.479 62.734 63.200 0.022 0.000 0.780 227 S HN 0.594 nan 8.310 nan 0.000 0.514 228 H N 4.114 123.193 119.070 0.016 0.000 2.929 228 H HA 0.172 4.728 4.556 0.001 0.000 0.317 228 H C -1.678 173.660 175.328 0.018 0.000 1.031 228 H CA -1.049 55.008 56.048 0.016 0.000 1.466 228 H CB 1.445 31.218 29.762 0.017 0.000 1.482 228 H HN 0.132 nan 8.280 nan 0.000 0.561 229 P HA -0.069 nan 4.420 nan 0.000 0.226 229 P C 0.389 177.777 177.300 0.146 0.000 1.153 229 P CA 0.785 63.904 63.100 0.032 0.000 0.777 229 P CB 0.562 32.225 31.700 -0.062 0.000 0.794 230 D N -0.648 119.968 120.400 0.360 0.000 2.339 230 D HA 0.053 4.693 4.640 0.001 0.000 0.217 230 D C 0.420 176.799 176.300 0.132 0.000 1.050 230 D CA 0.136 54.272 54.000 0.227 0.000 0.856 230 D CB 0.473 41.413 40.800 0.235 0.000 0.922 230 D HN 0.031 nan 8.370 nan 0.000 0.518 231 V N 2.283 122.285 119.914 0.146 0.000 2.508 231 V HA -0.006 4.114 4.120 0.001 0.000 0.281 231 V C 1.195 177.341 176.094 0.086 0.000 1.041 231 V CA 0.143 62.494 62.300 0.085 0.000 1.016 231 V CB 1.624 33.500 31.823 0.088 0.000 0.984 231 V HN -0.018 nan 8.190 nan 0.000 0.478 232 D N 2.931 123.378 120.400 0.079 0.000 2.240 232 D HA 0.091 4.732 4.640 0.001 0.000 0.206 232 D C 0.743 177.095 176.300 0.085 0.000 0.963 232 D CA 0.908 54.955 54.000 0.078 0.000 0.863 232 D CB 0.651 41.498 40.800 0.077 0.000 0.973 232 D HN 0.405 nan 8.370 nan 0.000 0.501 233 K N 0.468 120.930 120.400 0.102 0.000 2.523 233 K HA 0.451 4.771 4.320 0.001 0.000 0.257 233 K C -1.505 175.171 176.600 0.127 0.000 0.932 233 K CA -0.533 55.820 56.287 0.111 0.000 0.812 233 K CB 2.329 34.902 32.500 0.122 0.000 1.326 233 K HN -0.168 nan 8.250 nan 0.000 0.433 234 I N 1.414 122.054 120.570 0.118 0.000 2.378 234 I HA 0.223 4.394 4.170 0.001 0.000 0.291 234 I C -0.117 176.091 176.117 0.152 0.000 0.992 234 I CA -0.624 60.755 61.300 0.132 0.000 1.154 234 I CB 1.987 40.046 38.000 0.099 0.000 1.315 234 I HN 0.309 nan 8.210 nan 0.000 0.448 235 S N 6.476 122.295 115.700 0.198 0.000 2.498 235 S HA 0.642 5.112 4.470 0.001 0.000 0.317 235 S C -1.129 173.623 174.600 0.253 0.000 1.090 235 S CA -0.405 57.917 58.200 0.204 0.000 1.089 235 S CB 0.582 63.938 63.200 0.260 0.000 0.997 235 S HN 0.399 nan 8.310 nan 0.000 0.470 236 F N 3.414 123.390 119.950 0.042 0.000 2.565 236 F HA 0.697 5.224 4.527 0.001 0.000 0.313 236 F C -0.613 175.199 175.800 0.019 0.000 1.091 236 F CA -0.201 57.815 58.000 0.026 0.000 0.915 236 F CB 2.207 41.207 39.000 0.000 0.000 1.208 236 F HN 0.425 nan 8.300 nan 0.000 0.453 237 T N 3.893 117.883 114.554 -0.941 0.000 2.928 237 T HA 0.788 5.138 4.350 0.001 0.000 0.296 237 T C -0.359 173.609 174.700 -1.220 0.000 1.000 237 T CA -0.310 61.310 62.100 -0.800 0.000 0.989 237 T CB 1.249 69.923 68.868 -0.324 0.000 1.005 237 T HN 1.147 nan 8.240 nan 0.000 0.442 238 G N 1.726 109.996 108.800 -0.884 0.000 2.367 238 G HA2 0.441 4.401 3.960 0.001 0.000 0.272 238 G HA3 0.441 4.401 3.960 0.001 0.000 0.272 238 G C -0.552 174.272 174.900 -0.127 0.000 1.271 238 G CA -0.272 44.523 45.100 -0.509 0.000 0.893 238 G HN 1.024 nan 8.290 nan 0.000 0.485 239 S N 0.048 115.764 115.700 0.027 0.000 2.573 239 S HA 0.393 4.863 4.470 0.001 0.000 0.277 239 S C 1.482 176.177 174.600 0.158 0.000 1.346 239 S CA 0.897 59.122 58.200 0.041 0.000 1.034 239 S CB 1.453 64.679 63.200 0.043 0.000 0.879 239 S HN 1.081 nan 8.310 nan 0.000 0.528 240 S N 2.063 117.834 115.700 0.119 0.000 2.370 240 S HA -0.114 4.356 4.470 0.001 0.000 0.226 240 S C 2.241 176.896 174.600 0.091 0.000 1.033 240 S CA 1.292 59.576 58.200 0.141 0.000 1.011 240 S CB -0.985 62.326 63.200 0.185 0.000 0.852 240 S HN 0.926 nan 8.310 nan 0.000 0.457 241 A N 0.981 123.843 122.820 0.070 0.000 1.898 241 A HA -0.080 4.240 4.320 0.001 0.000 0.216 241 A C 2.324 179.910 177.584 0.004 0.000 1.181 241 A CA 1.950 54.007 52.037 0.033 0.000 0.620 241 A CB -1.209 17.811 19.000 0.032 0.000 0.819 241 A HN 0.496 nan 8.150 nan 0.000 0.442 242 T N -0.224 114.343 114.554 0.021 0.000 2.821 242 T HA -0.006 4.344 4.350 0.001 0.000 0.267 242 T C 1.973 176.480 174.700 -0.322 0.000 1.046 242 T CA 1.257 63.310 62.100 -0.078 0.000 1.139 242 T CB -0.605 68.299 68.868 0.059 0.000 0.871 242 T HN 0.556 nan 8.240 nan 0.000 0.454 243 G N 0.774 109.446 108.800 -0.212 0.000 2.422 243 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 243 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 243 G C 1.849 176.646 174.900 -0.173 0.000 1.146 243 G CA 1.209 46.139 45.100 -0.284 0.000 0.769 243 G HN 0.516 nan 8.290 nan 0.000 0.547 244 S N 0.139 115.795 115.700 -0.075 0.000 2.356 244 S HA -0.090 4.380 4.470 0.001 0.000 0.223 244 S C 2.351 176.914 174.600 -0.062 0.000 1.032 244 S CA 1.828 60.005 58.200 -0.038 0.000 1.005 244 S CB -0.271 62.922 63.200 -0.011 0.000 0.867 244 S HN 0.440 nan 8.310 nan 0.000 0.449 245 K N 0.414 120.762 120.400 -0.088 0.000 2.057 245 K HA 0.002 4.323 4.320 0.001 0.000 0.207 245 K C 2.059 178.594 176.600 -0.107 0.000 1.049 245 K CA 1.600 57.838 56.287 -0.082 0.000 0.931 245 K CB -0.320 32.135 32.500 -0.074 0.000 0.714 245 K HN 0.425 nan 8.250 nan 0.000 0.440 246 I N 0.891 121.341 120.570 -0.200 0.000 2.179 246 I HA -0.311 3.860 4.170 0.001 0.000 0.242 246 I C 2.623 178.678 176.117 -0.103 0.000 1.088 246 I CA 1.197 62.371 61.300 -0.210 0.000 1.357 246 I CB -0.120 37.615 38.000 -0.442 0.000 1.051 246 I HN 0.268 nan 8.210 nan 0.000 0.409 247 M N 0.135 119.689 119.600 -0.078 0.000 2.117 247 M HA -0.209 4.272 4.480 0.001 0.000 0.262 247 M C 2.286 178.593 176.300 0.012 0.000 1.065 247 M CA 1.867 57.170 55.300 0.006 0.000 1.114 247 M CB -0.177 32.460 32.600 0.061 0.000 1.361 247 M HN 0.179 nan 8.290 nan 0.000 0.408 248 T N 0.234 114.783 114.554 -0.007 0.000 2.684 248 T HA -0.156 4.194 4.350 0.001 0.000 0.267 248 T C 1.593 176.290 174.700 -0.004 0.000 1.036 248 T CA 2.132 64.230 62.100 -0.004 0.000 1.148 248 T CB -0.562 68.298 68.868 -0.012 0.000 0.863 248 T HN 0.483 nan 8.240 nan 0.000 0.436 249 T N 1.898 116.444 114.554 -0.014 0.000 2.746 249 T HA -0.027 4.323 4.350 0.001 0.000 0.267 249 T C 2.372 177.075 174.700 0.006 0.000 1.039 249 T CA 1.170 63.266 62.100 -0.007 0.000 1.142 249 T CB -0.528 68.331 68.868 -0.014 0.000 0.866 249 T HN 0.438 nan 8.240 nan 0.000 0.444 250 A N 1.343 124.169 122.820 0.010 0.000 1.972 250 A HA 0.205 4.526 4.320 0.001 0.000 0.219 250 A C 2.622 180.222 177.584 0.027 0.000 1.169 250 A CA 1.655 53.708 52.037 0.027 0.000 0.635 250 A CB -0.976 18.048 19.000 0.040 0.000 0.810 250 A HN 0.501 nan 8.150 nan 0.000 0.446 251 A N -0.975 121.859 122.820 0.023 0.000 1.978 251 A HA -0.192 4.128 4.320 0.001 0.000 0.220 251 A C 2.062 179.653 177.584 0.012 0.000 1.170 251 A CA 1.616 53.664 52.037 0.018 0.000 0.636 251 A CB -0.439 18.571 19.000 0.016 0.000 0.810 251 A HN 0.505 nan 8.150 nan 0.000 0.448 252 Q N -0.389 119.416 119.800 0.009 0.000 2.077 252 Q HA -0.124 4.216 4.340 0.001 0.000 0.206 252 Q C 1.527 177.530 176.000 0.006 0.000 0.989 252 Q CA 1.475 57.281 55.803 0.005 0.000 0.853 252 Q CB -0.340 28.399 28.738 0.002 0.000 0.907 252 Q HN 0.708 nan 8.270 nan 0.000 0.418 253 L N -0.470 120.761 121.223 0.012 0.000 2.857 253 L HA 0.149 4.490 4.340 0.001 0.000 0.249 253 L C 0.579 177.460 176.870 0.019 0.000 1.172 253 L CA -0.310 54.538 54.840 0.014 0.000 0.980 253 L CB 1.055 43.124 42.059 0.017 0.000 1.299 253 L HN -0.188 nan 8.230 nan 0.000 0.535 254 V N 1.300 121.225 119.914 0.019 0.000 5.658 254 V HA -0.288 3.833 4.120 0.001 0.000 0.312 254 V C 0.497 176.608 176.094 0.028 0.000 0.480 254 V CA 1.120 63.432 62.300 0.019 0.000 0.684 254 V CB -1.612 30.218 31.823 0.011 0.000 0.426 254 V HN 0.614 nan 8.190 nan 0.000 1.241 255 K N 1.868 122.291 120.400 0.038 0.000 2.143 255 K HA 0.665 4.985 4.320 0.001 0.000 0.272 255 K C -2.239 174.398 176.600 0.060 0.000 1.001 255 K CA -1.686 54.630 56.287 0.048 0.000 0.915 255 K CB 1.075 33.608 32.500 0.056 0.000 1.047 255 K HN 0.263 nan 8.250 nan 0.000 0.458 256 P HA 0.113 nan 4.420 nan 0.000 0.272 256 P C -0.687 176.676 177.300 0.106 0.000 1.230 256 P CA -0.460 62.688 63.100 0.080 0.000 0.788 256 P CB 0.901 32.638 31.700 0.062 0.000 0.949 257 V N 0.794 120.805 119.914 0.161 0.000 2.932 257 V HA 0.417 4.537 4.120 0.001 0.000 0.307 257 V C -0.530 175.685 176.094 0.201 0.000 1.147 257 V CA -0.427 61.974 62.300 0.168 0.000 0.951 257 V CB 2.445 34.370 31.823 0.169 0.000 1.031 257 V HN 0.860 nan 8.190 nan 0.000 0.426 258 S N 6.103 121.854 115.700 0.086 0.000 2.500 258 S HA 0.880 5.351 4.470 0.001 0.000 0.301 258 S C -1.276 173.284 174.600 -0.066 0.000 1.092 258 S CA -0.657 57.550 58.200 0.012 0.000 1.030 258 S CB 1.477 64.689 63.200 0.021 0.000 1.031 258 S HN 0.574 nan 8.310 nan 0.000 0.483 259 L N 2.146 123.206 121.223 -0.271 0.000 2.410 259 L HA 0.650 4.991 4.340 0.001 0.000 0.270 259 L C -0.760 176.039 176.870 -0.118 0.000 0.983 259 L CA -0.590 54.140 54.840 -0.184 0.000 0.822 259 L CB 2.118 43.943 42.059 -0.390 0.000 1.285 259 L HN 0.885 nan 8.230 nan 0.000 0.409 260 E N 4.239 124.430 120.200 -0.014 0.000 2.220 260 E HA 0.668 5.018 4.350 0.001 0.000 0.256 260 E C -1.613 174.975 176.600 -0.021 0.000 0.881 260 E CA -0.365 56.043 56.400 0.012 0.000 0.766 260 E CB 1.168 30.927 29.700 0.099 0.000 1.187 260 E HN 0.500 nan 8.360 nan 0.000 0.419 261 L N 2.303 123.529 121.223 0.005 0.000 2.343 261 L HA 0.760 5.100 4.340 0.001 0.000 0.264 261 L C 1.263 178.100 176.870 -0.056 0.000 1.050 261 L CA -1.184 53.662 54.840 0.010 0.000 0.956 261 L CB 0.438 42.555 42.059 0.096 0.000 1.576 261 L HN 0.666 nan 8.230 nan 0.000 0.521 262 G N -1.313 107.418 108.800 -0.116 0.000 2.590 262 G HA2 0.454 4.414 3.960 0.001 0.000 0.276 262 G HA3 0.454 4.414 3.960 0.001 0.000 0.276 262 G C -0.308 174.261 174.900 -0.552 0.000 1.337 262 G CA 0.399 45.306 45.100 -0.322 0.000 1.030 262 G HN 0.837 nan 8.290 nan 0.000 0.534 263 G N -2.049 106.337 108.800 -0.691 0.000 2.687 263 G HA2 0.520 4.480 3.960 0.001 0.000 0.291 263 G HA3 0.520 4.480 3.960 0.001 0.000 0.291 263 G C -1.319 173.242 174.900 -0.564 0.000 1.420 263 G CA -0.606 44.085 45.100 -0.681 0.000 0.796 263 G HN 0.585 nan 8.290 nan 0.000 0.485 264 K N 0.498 120.763 120.400 -0.226 0.000 3.157 264 K HA 0.444 4.764 4.320 0.001 0.000 0.173 264 K C -0.321 176.221 176.600 -0.096 0.000 1.127 264 K CA -0.301 55.931 56.287 -0.092 0.000 0.849 264 K CB 0.362 32.884 32.500 0.037 0.000 1.038 264 K HN 0.408 nan 8.250 nan 0.000 0.603 265 S N 3.384 119.044 115.700 -0.066 0.000 2.548 265 S HA 0.355 4.825 4.470 0.001 0.000 0.277 265 S C -2.390 172.182 174.600 -0.047 0.000 1.315 265 S CA -0.846 57.335 58.200 -0.032 0.000 1.050 265 S CB 0.679 63.906 63.200 0.045 0.000 0.918 265 S HN 0.389 nan 8.310 nan 0.000 0.497 266 P HA 0.442 nan 4.420 nan 0.000 0.286 266 P C -0.925 176.389 177.300 0.023 0.000 1.261 266 P CA -0.631 62.446 63.100 -0.039 0.000 0.821 266 P CB 0.883 32.553 31.700 -0.049 0.000 1.013 267 I N 2.338 122.930 120.570 0.036 0.000 2.411 267 I HA 0.255 4.426 4.170 0.001 0.000 0.284 267 I C -1.145 174.998 176.117 0.044 0.000 1.012 267 I CA -1.067 60.266 61.300 0.056 0.000 1.119 267 I CB 1.373 39.415 38.000 0.069 0.000 1.261 267 I HN -0.057 nan 8.210 nan 0.000 0.448 268 V N 8.139 128.064 119.914 0.018 0.000 2.348 268 V HA 0.285 4.405 4.120 0.001 0.000 0.270 268 V C -0.019 176.064 176.094 -0.019 0.000 1.037 268 V CA -0.490 61.781 62.300 -0.048 0.000 0.872 268 V CB 1.156 32.896 31.823 -0.139 0.000 1.002 268 V HN 0.460 nan 8.190 nan 0.000 0.464 269 V N 6.520 126.420 119.914 -0.023 0.000 2.347 269 V HA 0.457 4.577 4.120 0.001 0.000 0.280 269 V C -0.087 175.978 176.094 -0.048 0.000 1.021 269 V CA -0.340 61.917 62.300 -0.071 0.000 0.847 269 V CB 0.971 32.611 31.823 -0.306 0.000 0.990 269 V HN 0.603 nan 8.190 nan 0.000 0.444 270 F N 2.824 122.835 119.950 0.102 0.000 2.364 270 F HA 0.334 4.862 4.527 0.001 0.000 0.316 270 F C 1.727 177.479 175.800 -0.080 0.000 1.133 270 F CA -0.310 57.768 58.000 0.131 0.000 1.051 270 F CB 0.719 39.795 39.000 0.127 0.000 1.342 270 F HN 0.591 nan 8.300 nan 0.000 0.507 271 E N 0.718 120.933 120.200 0.025 0.000 2.170 271 E HA -0.129 4.221 4.350 0.001 0.000 0.191 271 E C 0.143 176.704 176.600 -0.065 0.000 0.981 271 E CA 0.843 57.149 56.400 -0.157 0.000 0.830 271 E CB -0.902 28.540 29.700 -0.430 0.000 0.775 271 E HN 0.641 nan 8.360 nan 0.000 0.470 272 D N 1.810 122.199 120.400 -0.020 0.000 2.688 272 D HA 0.188 4.828 4.640 0.001 0.000 0.228 272 D C -0.358 175.945 176.300 0.005 0.000 1.116 272 D CA -0.436 53.554 54.000 -0.016 0.000 1.023 272 D CB 0.241 41.023 40.800 -0.029 0.000 1.100 272 D HN -0.074 nan 8.370 nan 0.000 0.487 273 V N 0.580 120.498 119.914 0.007 0.000 2.971 273 V HA 0.142 4.262 4.120 0.001 0.000 0.309 273 V C -0.806 175.314 176.094 0.043 0.000 1.130 273 V CA -1.042 61.270 62.300 0.020 0.000 0.964 273 V CB 2.521 34.342 31.823 -0.003 0.000 1.029 273 V HN 0.296 nan 8.190 nan 0.000 0.427 274 D N 3.652 124.093 120.400 0.068 0.000 2.342 274 D HA 0.113 4.753 4.640 0.001 0.000 0.260 274 D C 0.956 177.341 176.300 0.143 0.000 1.278 274 D CA -0.049 54.010 54.000 0.098 0.000 0.910 274 D CB 1.343 42.203 40.800 0.100 0.000 1.079 274 D HN 0.365 nan 8.370 nan 0.000 0.496 275 L N 3.727 125.055 121.223 0.174 0.000 2.043 275 L HA -0.194 4.146 4.340 0.001 0.000 0.212 275 L C 2.096 179.158 176.870 0.319 0.000 1.075 275 L CA 1.358 56.380 54.840 0.304 0.000 0.752 275 L CB -0.308 41.938 42.059 0.312 0.000 0.891 275 L HN 0.410 nan 8.230 nan 0.000 0.432 276 D N -0.385 120.160 120.400 0.242 0.000 2.123 276 D HA -0.133 4.508 4.640 0.001 0.000 0.200 276 D C 2.180 178.559 176.300 0.131 0.000 0.976 276 D CA 1.006 55.166 54.000 0.268 0.000 0.831 276 D CB 0.028 41.016 40.800 0.313 0.000 0.974 276 D HN 0.361 nan 8.370 nan 0.000 0.469 277 K N 0.755 121.234 120.400 0.131 0.000 2.025 277 K HA -0.096 4.224 4.320 0.001 0.000 0.207 277 K C 2.300 178.959 176.600 0.099 0.000 1.049 277 K CA 1.068 57.404 56.287 0.082 0.000 0.933 277 K CB -0.108 32.477 32.500 0.142 0.000 0.714 277 K HN 0.102 nan 8.250 nan 0.000 0.438 278 V N -1.579 118.455 119.914 0.201 0.000 2.809 278 V HA 0.015 4.136 4.120 0.001 0.000 0.256 278 V C 2.085 178.331 176.094 0.254 0.000 1.080 278 V CA 1.444 63.915 62.300 0.284 0.000 1.102 278 V CB -0.519 31.424 31.823 0.201 0.000 0.705 278 V HN 0.183 nan 8.190 nan 0.000 0.475 279 A N 0.364 123.238 122.820 0.089 0.000 1.933 279 A HA -0.202 4.118 4.320 0.001 0.000 0.218 279 A C 2.298 179.457 177.584 -0.709 0.000 1.175 279 A CA 1.886 53.717 52.037 -0.344 0.000 0.628 279 A CB -0.586 18.065 19.000 -0.582 0.000 0.814 279 A HN 0.677 nan 8.150 nan 0.000 0.444 280 E N -1.341 118.285 120.200 -0.958 0.000 2.106 280 E HA -0.206 4.144 4.350 0.001 0.000 0.192 280 E C 1.779 178.101 176.600 -0.464 0.000 0.984 280 E CA 1.040 56.841 56.400 -0.997 0.000 0.806 280 E CB -0.182 28.896 29.700 -1.037 0.000 0.750 280 E HN 0.823 nan 8.360 nan 0.000 0.458 281 W N 0.581 121.729 121.300 -0.255 0.000 2.358 281 W HA -0.172 4.489 4.660 0.001 0.000 0.303 281 W C 2.791 179.265 176.519 -0.074 0.000 1.208 281 W CA 1.713 58.973 57.345 -0.142 0.000 1.274 281 W CB -0.361 29.026 29.460 -0.122 0.000 1.138 281 W HN 0.219 nan 8.180 nan 0.000 0.515 282 T N -2.903 111.742 114.554 0.151 0.000 2.857 282 T HA -0.137 4.213 4.350 0.001 0.000 0.266 282 T C 1.702 176.332 174.700 -0.116 0.000 1.048 282 T CA 1.321 63.461 62.100 0.066 0.000 1.139 282 T CB -0.884 68.087 68.868 0.172 0.000 0.874 282 T HN -0.041 nan 8.240 nan 0.000 0.455 283 V N 0.491 120.308 119.914 -0.161 0.000 2.427 283 V HA 0.014 4.135 4.120 0.001 0.000 0.248 283 V C 2.139 178.159 176.094 -0.123 0.000 1.051 283 V CA 1.688 63.847 62.300 -0.236 0.000 1.048 283 V CB -0.833 30.999 31.823 0.015 0.000 0.666 283 V HN 0.521 nan 8.190 nan 0.000 0.456 284 F N 1.529 121.392 119.950 -0.146 0.000 2.084 284 F HA -0.038 4.490 4.527 0.001 0.000 0.296 284 F C 2.270 178.033 175.800 -0.061 0.000 1.111 284 F CA 1.735 59.682 58.000 -0.088 0.000 1.224 284 F CB -0.662 38.217 39.000 -0.202 0.000 0.991 284 F HN 0.193 nan 8.300 nan 0.000 0.471 285 G N -1.391 107.439 108.800 0.049 0.000 2.501 285 G HA2 -0.317 3.644 3.960 0.001 0.000 0.220 285 G HA3 -0.317 3.644 3.960 0.001 0.000 0.220 285 G C 1.529 176.345 174.900 -0.139 0.000 1.114 285 G CA 1.126 46.185 45.100 -0.067 0.000 0.757 285 G HN 0.546 nan 8.290 nan 0.000 0.559 286 C N -1.811 117.339 119.300 -0.250 0.000 3.123 286 C HA 0.503 4.963 4.460 0.001 0.000 0.399 286 C C 2.116 177.014 174.990 -0.153 0.000 1.320 286 C CA -0.170 58.673 59.018 -0.292 0.000 1.949 286 C CB -0.468 26.980 27.740 -0.486 0.000 2.692 286 C HN 0.391 nan 8.230 nan 0.000 0.623 287 F N -0.848 119.097 119.950 -0.008 0.000 2.678 287 F HA 0.274 4.801 4.527 0.001 0.000 0.291 287 F C 0.913 176.687 175.800 -0.043 0.000 1.123 287 F CA -0.573 57.423 58.000 -0.007 0.000 1.395 287 F CB -0.116 38.908 39.000 0.041 0.000 1.121 287 F HN 0.059 nan 8.300 nan 0.000 0.592 288 F N 2.110 121.966 119.950 -0.157 0.000 2.595 288 F HA -0.002 4.525 4.527 0.001 0.000 0.359 288 F C 1.337 176.997 175.800 -0.234 0.000 1.147 288 F CA 0.669 58.471 58.000 -0.330 0.000 1.341 288 F CB 0.388 38.855 39.000 -0.889 0.000 1.104 288 F HN 0.063 nan 8.300 nan 0.000 0.603 289 T N 4.086 118.093 114.554 -0.912 0.000 4.146 289 T HA -0.282 4.068 4.350 0.001 0.000 0.336 289 T C -0.028 174.449 174.700 -0.372 0.000 0.762 289 T CA 0.727 62.406 62.100 -0.703 0.000 1.914 289 T CB -2.042 66.398 68.868 -0.713 0.000 1.897 289 T HN 0.862 nan 8.240 nan 0.000 0.862 290 N N -1.395 117.166 118.700 -0.232 0.000 2.725 290 N HA -0.227 4.513 4.740 0.001 0.000 0.249 290 N C 1.054 176.519 175.510 -0.075 0.000 1.103 290 N CA 2.007 54.996 53.050 -0.102 0.000 0.707 290 N CB -1.753 36.676 38.487 -0.097 0.000 1.043 290 N HN 1.771 nan 8.380 nan 0.000 0.553 291 G N -0.752 108.000 108.800 -0.080 0.000 2.155 291 G HA2 -0.373 3.587 3.960 0.001 0.000 0.257 291 G HA3 -0.373 3.587 3.960 0.001 0.000 0.257 291 G C 0.043 174.741 174.900 -0.337 0.000 0.983 291 G CA 0.669 45.718 45.100 -0.086 0.000 0.676 291 G HN 0.590 nan 8.290 nan 0.000 0.528 292 Q N -0.098 119.402 119.800 -0.499 0.000 3.035 292 Q HA 0.559 4.899 4.340 0.001 0.000 0.354 292 Q C 0.261 175.689 176.000 -0.954 0.000 1.247 292 Q CA -0.027 55.118 55.803 -1.097 0.000 1.068 292 Q CB 0.317 28.714 28.738 -0.568 0.000 1.424 292 Q HN 0.648 nan 8.270 nan 0.000 0.486 293 I N -1.449 118.731 120.570 -0.649 0.000 2.474 293 I HA 0.190 4.360 4.170 0.001 0.000 0.294 293 I C 0.770 176.899 176.117 0.020 0.000 1.005 293 I CA -0.851 60.362 61.300 -0.144 0.000 1.113 293 I CB 1.711 39.729 38.000 0.030 0.000 1.289 293 I HN 0.322 nan 8.210 nan 0.000 0.436 294 C N 1.495 120.929 119.300 0.223 0.000 2.429 294 C HA -0.120 4.340 4.460 0.001 0.000 0.277 294 C C 2.355 177.460 174.990 0.192 0.000 1.262 294 C CA 1.357 60.540 59.018 0.276 0.000 1.733 294 C CB -0.975 26.911 27.740 0.243 0.000 2.010 294 C HN 0.932 nan 8.230 nan 0.000 0.483 295 S N 0.632 116.493 115.700 0.267 0.000 2.614 295 S HA 0.498 4.968 4.470 0.001 0.000 0.230 295 S C 0.534 175.260 174.600 0.210 0.000 0.952 295 S CA 0.235 58.584 58.200 0.247 0.000 0.949 295 S CB -0.387 63.066 63.200 0.423 0.000 0.786 295 S HN 0.547 nan 8.310 nan 0.000 0.478 296 A N 2.664 125.553 122.820 0.116 0.000 2.584 296 A HA 0.352 4.673 4.320 0.001 0.000 0.239 296 A C 0.895 178.498 177.584 0.032 0.000 1.043 296 A CA 0.324 52.384 52.037 0.037 0.000 0.756 296 A CB -0.351 18.639 19.000 -0.016 0.000 0.963 296 A HN 0.647 nan 8.150 nan 0.000 0.511 297 T N 1.131 115.691 114.554 0.010 0.000 3.414 297 T HA 0.364 4.714 4.350 0.001 0.000 0.304 297 T C 0.928 175.611 174.700 -0.028 0.000 1.241 297 T CA 0.025 62.132 62.100 0.013 0.000 1.076 297 T CB -0.064 68.825 68.868 0.036 0.000 1.134 297 T HN 0.880 nan 8.240 nan 0.000 0.759 298 S N 1.839 117.519 115.700 -0.033 0.000 2.535 298 S HA 0.195 4.666 4.470 0.001 0.000 0.214 298 S C 0.719 175.305 174.600 -0.024 0.000 0.980 298 S CA -0.690 57.492 58.200 -0.029 0.000 0.907 298 S CB 0.061 63.256 63.200 -0.009 0.000 0.790 298 S HN 0.580 nan 8.310 nan 0.000 0.510 299 R N 1.385 121.846 120.500 -0.064 0.000 2.275 299 R HA 0.429 4.769 4.340 0.001 0.000 0.326 299 R C -1.150 175.181 176.300 0.051 0.000 0.973 299 R CA -0.361 55.701 56.100 -0.064 0.000 0.854 299 R CB 1.188 31.245 30.300 -0.404 0.000 1.156 299 R HN 0.306 nan 8.270 nan 0.000 0.487 300 L N 5.316 126.623 121.223 0.141 0.000 2.331 300 L HA 0.404 4.744 4.340 0.001 0.000 0.278 300 L C -0.601 176.405 176.870 0.225 0.000 1.106 300 L CA -0.305 54.636 54.840 0.169 0.000 0.824 300 L CB 0.737 42.910 42.059 0.190 0.000 1.142 300 L HN 0.651 nan 8.230 nan 0.000 0.443 301 I N 6.063 126.748 120.570 0.192 0.000 2.495 301 I HA 0.232 4.403 4.170 0.001 0.000 0.277 301 I C -0.579 175.709 176.117 0.285 0.000 1.045 301 I CA -0.485 60.959 61.300 0.239 0.000 1.135 301 I CB 1.549 39.647 38.000 0.162 0.000 1.241 301 I HN 0.211 nan 8.210 nan 0.000 0.469 302 V N 3.575 123.616 119.914 0.210 0.000 2.435 302 V HA 0.325 4.445 4.120 0.001 0.000 0.290 302 V C 0.491 176.353 176.094 -0.387 0.000 1.030 302 V CA -0.882 61.421 62.300 0.005 0.000 0.881 302 V CB 1.344 33.182 31.823 0.024 0.000 0.983 302 V HN 0.573 nan 8.190 nan 0.000 0.445 303 H N 4.206 122.760 119.070 -0.861 0.000 3.094 303 H HA -0.039 4.518 4.556 0.001 0.000 0.320 303 H C 1.497 176.491 175.328 -0.557 0.000 1.000 303 H CA 1.125 56.452 56.048 -1.202 0.000 1.413 303 H CB 0.944 30.283 29.762 -0.705 0.000 1.405 303 H HN 1.006 nan 8.280 nan 0.000 0.586 304 E N 2.065 121.919 120.200 -0.577 0.000 2.171 304 E HA -0.226 4.125 4.350 0.001 0.000 0.197 304 E C 1.632 178.214 176.600 -0.030 0.000 0.997 304 E CA 1.574 57.833 56.400 -0.234 0.000 0.810 304 E CB -0.057 29.494 29.700 -0.249 0.000 0.738 304 E HN 0.574 nan 8.360 nan 0.000 0.467 305 S N 1.259 117.051 115.700 0.154 0.000 2.453 305 S HA -0.071 4.400 4.470 0.001 0.000 0.231 305 S C 2.051 176.685 174.600 0.057 0.000 1.005 305 S CA 0.789 59.059 58.200 0.116 0.000 0.949 305 S CB -0.606 62.676 63.200 0.136 0.000 0.774 305 S HN 0.618 nan 8.310 nan 0.000 0.510 306 I N -2.910 117.687 120.570 0.046 0.000 4.227 306 I HA 0.602 4.772 4.170 0.001 0.000 0.334 306 I C 2.044 178.222 176.117 0.102 0.000 1.341 306 I CA 0.024 61.355 61.300 0.052 0.000 1.123 306 I CB -0.198 37.810 38.000 0.013 0.000 1.097 306 I HN 0.165 nan 8.210 nan 0.000 0.399 307 A N 2.262 125.121 122.820 0.065 0.000 1.863 307 A HA -0.296 4.024 4.320 0.001 0.000 0.218 307 A C 2.477 180.149 177.584 0.148 0.000 1.233 307 A CA 3.278 55.375 52.037 0.100 0.000 0.655 307 A CB -1.380 17.637 19.000 0.029 0.000 0.839 307 A HN 0.516 nan 8.150 nan 0.000 0.454 308 V N 1.110 121.082 119.914 0.097 0.000 2.407 308 V HA -0.254 3.866 4.120 0.001 0.000 0.248 308 V C 2.301 178.454 176.094 0.098 0.000 1.055 308 V CA 2.872 65.224 62.300 0.086 0.000 1.049 308 V CB -0.834 31.023 31.823 0.056 0.000 0.662 308 V HN 0.865 nan 8.190 nan 0.000 0.455 309 E N -0.874 119.394 120.200 0.114 0.000 2.158 309 E HA -0.202 4.148 4.350 0.001 0.000 0.191 309 E C 2.098 178.795 176.600 0.162 0.000 0.982 309 E CA 1.387 57.858 56.400 0.119 0.000 0.823 309 E CB -0.672 29.093 29.700 0.107 0.000 0.766 309 E HN 0.616 nan 8.360 nan 0.000 0.468 310 F N 1.909 121.894 119.950 0.058 0.000 2.146 310 F HA -0.083 4.444 4.527 0.001 0.000 0.298 310 F C 2.014 177.861 175.800 0.078 0.000 1.096 310 F CA 1.095 59.135 58.000 0.066 0.000 1.275 310 F CB -0.143 38.887 39.000 0.050 0.000 1.008 310 F HN -0.129 nan 8.300 nan 0.000 0.480 311 V N 0.356 120.304 119.914 0.055 0.000 2.427 311 V HA -0.269 3.851 4.120 0.001 0.000 0.248 311 V C 1.960 178.036 176.094 -0.031 0.000 1.051 311 V CA 2.094 64.381 62.300 -0.021 0.000 1.048 311 V CB -0.721 31.155 31.823 0.088 0.000 0.666 311 V HN 0.255 nan 8.190 nan 0.000 0.456 312 D N 0.002 120.410 120.400 0.013 0.000 2.144 312 D HA -0.121 4.520 4.640 0.001 0.000 0.200 312 D C 2.261 178.579 176.300 0.031 0.000 0.978 312 D CA 1.044 55.062 54.000 0.030 0.000 0.833 312 D CB -0.146 40.681 40.800 0.044 0.000 0.961 312 D HN 0.409 nan 8.370 nan 0.000 0.470 313 K N -0.013 120.393 120.400 0.011 0.000 2.026 313 K HA -0.116 4.204 4.320 0.001 0.000 0.208 313 K C 1.987 178.674 176.600 0.145 0.000 1.048 313 K CA 0.467 56.807 56.287 0.089 0.000 0.929 313 K CB -0.168 32.376 32.500 0.072 0.000 0.713 313 K HN 0.020 nan 8.250 nan 0.000 0.439 314 L N 0.909 122.060 121.223 -0.120 0.000 2.021 314 L HA -0.234 4.107 4.340 0.001 0.000 0.215 314 L C 2.298 179.245 176.870 0.128 0.000 1.074 314 L CA 1.516 56.313 54.840 -0.073 0.000 0.760 314 L CB -0.888 41.050 42.059 -0.201 0.000 0.889 314 L HN -0.010 nan 8.230 nan 0.000 0.433 315 V N -0.888 119.080 119.914 0.091 0.000 2.332 315 V HA -0.336 3.785 4.120 0.001 0.000 0.248 315 V C 2.505 178.665 176.094 0.110 0.000 1.055 315 V CA 1.860 64.222 62.300 0.103 0.000 1.038 315 V CB -0.526 31.337 31.823 0.067 0.000 0.651 315 V HN 0.442 nan 8.190 nan 0.000 0.450 316 K N -1.495 118.970 120.400 0.109 0.000 2.031 316 K HA -0.167 4.153 4.320 0.001 0.000 0.205 316 K C 1.934 178.573 176.600 0.066 0.000 1.049 316 K CA 1.745 58.065 56.287 0.055 0.000 0.939 316 K CB -0.311 32.190 32.500 0.002 0.000 0.717 316 K HN 0.452 nan 8.250 nan 0.000 0.438 317 W N 1.032 122.335 121.300 0.005 0.000 2.317 317 W HA -0.251 4.409 4.660 0.001 0.000 0.318 317 W C 2.487 179.041 176.519 0.058 0.000 1.227 317 W CA 1.791 59.152 57.345 0.027 0.000 1.269 317 W CB -0.628 28.848 29.460 0.028 0.000 1.155 317 W HN 0.146 nan 8.180 nan 0.000 0.484 318 A N -0.162 122.864 122.820 0.344 0.000 1.933 318 A HA -0.223 4.098 4.320 0.001 0.000 0.218 318 A C 1.753 179.382 177.584 0.075 0.000 1.175 318 A CA 1.856 54.027 52.037 0.223 0.000 0.628 318 A CB -0.730 18.411 19.000 0.235 0.000 0.814 318 A HN 0.426 nan 8.150 nan 0.000 0.444 319 E N -0.884 119.354 120.200 0.064 0.000 2.358 319 E HA -0.097 4.253 4.350 0.001 0.000 0.195 319 E C 1.178 177.779 176.600 0.001 0.000 1.010 319 E CA 0.521 56.932 56.400 0.017 0.000 0.856 319 E CB -0.059 29.648 29.700 0.012 0.000 0.795 319 E HN 0.575 nan 8.360 nan 0.000 0.504 320 N N 0.443 119.147 118.700 0.007 0.000 2.336 320 N HA 0.044 4.784 4.740 0.001 0.000 0.189 320 N C -0.118 175.396 175.510 0.007 0.000 1.113 320 N CA 0.017 53.051 53.050 -0.027 0.000 0.858 320 N CB 0.324 38.755 38.487 -0.092 0.000 0.970 320 N HN 0.008 nan 8.380 nan 0.000 0.471 321 I N 1.563 122.162 120.570 0.049 0.000 2.517 321 I HA -0.028 4.143 4.170 0.001 0.000 0.285 321 I C 0.760 176.899 176.117 0.035 0.000 1.106 321 I CA -0.140 61.202 61.300 0.069 0.000 1.402 321 I CB 0.474 38.528 38.000 0.090 0.000 1.399 321 I HN 0.006 nan 8.210 nan 0.000 0.535 322 K N 7.856 128.276 120.400 0.034 0.000 2.383 322 K HA 0.317 4.637 4.320 0.001 0.000 0.286 322 K C -0.687 175.940 176.600 0.044 0.000 1.051 322 K CA -0.199 56.097 56.287 0.016 0.000 0.974 322 K CB 0.393 32.896 32.500 0.005 0.000 0.968 322 K HN 0.511 nan 8.250 nan 0.000 0.475 323 I N 4.266 124.871 120.570 0.058 0.000 2.321 323 I HA 0.188 4.358 4.170 0.001 0.000 0.291 323 I C -0.117 175.997 176.117 -0.006 0.000 0.998 323 I CA -0.250 61.086 61.300 0.060 0.000 1.227 323 I CB 1.456 39.485 38.000 0.049 0.000 1.368 323 I HN 0.721 nan 8.210 nan 0.000 0.466 324 S N 3.348 119.028 115.700 -0.033 0.000 2.661 324 S HA 0.237 4.707 4.470 0.001 0.000 0.268 324 S C -1.172 173.478 174.600 0.084 0.000 1.162 324 S CA -1.104 57.038 58.200 -0.096 0.000 0.817 324 S CB 1.504 64.694 63.200 -0.017 0.000 1.141 324 S HN 0.642 nan 8.310 nan 0.000 0.477 325 D N 1.120 121.566 120.400 0.076 0.000 2.525 325 D HA 0.121 4.761 4.640 0.001 0.000 0.235 325 D C -1.434 174.927 176.300 0.101 0.000 1.137 325 D CA -0.827 53.264 54.000 0.151 0.000 0.868 325 D CB 0.952 41.791 40.800 0.065 0.000 1.180 325 D HN 0.193 nan 8.370 nan 0.000 0.465 326 P HA -0.100 nan 4.420 nan 0.000 0.221 326 P C 1.244 178.560 177.300 0.027 0.000 1.145 326 P CA 0.998 64.122 63.100 0.041 0.000 0.795 326 P CB 0.158 31.860 31.700 0.003 0.000 0.775 327 L N -1.417 119.820 121.223 0.023 0.000 2.307 327 L HA 0.074 4.414 4.340 0.001 0.000 0.211 327 L C 1.392 178.272 176.870 0.016 0.000 1.099 327 L CA 0.100 54.950 54.840 0.015 0.000 0.816 327 L CB -0.755 41.308 42.059 0.007 0.000 0.952 327 L HN -0.004 nan 8.230 nan 0.000 0.455 328 E N 2.262 122.473 120.200 0.018 0.000 2.452 328 E HA -0.096 4.254 4.350 0.001 0.000 0.261 328 E C 0.138 176.747 176.600 0.015 0.000 0.987 328 E CA -0.098 56.309 56.400 0.012 0.000 0.926 328 E CB 0.521 30.226 29.700 0.007 0.000 0.934 328 E HN 0.094 nan 8.360 nan 0.000 0.452 329 E N 2.633 122.839 120.200 0.010 0.000 2.465 329 E HA -0.019 4.331 4.350 0.001 0.000 0.260 329 E C 0.506 177.114 176.600 0.014 0.000 0.980 329 E CA 0.984 57.392 56.400 0.013 0.000 0.927 329 E CB 0.215 29.919 29.700 0.008 0.000 0.934 329 E HN 0.851 nan 8.360 nan 0.000 0.459 330 G N 3.295 112.109 108.800 0.023 0.000 2.159 330 G HA2 -0.308 3.652 3.960 0.001 0.000 0.256 330 G HA3 -0.308 3.652 3.960 0.001 0.000 0.256 330 G C 0.319 175.240 174.900 0.035 0.000 0.977 330 G CA 0.046 45.161 45.100 0.025 0.000 0.652 330 G HN 0.729 nan 8.290 nan 0.000 0.531 331 C N 1.491 120.815 119.300 0.039 0.000 2.651 331 C HA 0.635 5.096 4.460 0.001 0.000 0.410 331 C C 1.733 176.764 174.990 0.068 0.000 1.372 331 C CA -0.060 58.988 59.018 0.050 0.000 1.707 331 C CB -0.052 27.719 27.740 0.052 0.000 2.501 331 C HN 0.424 nan 8.230 nan 0.000 0.598 332 R N 2.922 123.469 120.500 0.079 0.000 2.404 332 R HA 0.348 4.688 4.340 0.001 0.000 0.237 332 R C -0.693 175.666 176.300 0.098 0.000 0.907 332 R CA 0.040 56.205 56.100 0.109 0.000 1.063 332 R CB 0.099 30.478 30.300 0.132 0.000 1.134 332 R HN 0.708 nan 8.270 nan 0.000 0.529 333 L N -0.355 120.918 121.223 0.082 0.000 2.516 333 L HA 0.610 4.951 4.340 0.001 0.000 0.267 333 L C -0.322 176.627 176.870 0.131 0.000 0.957 333 L CA -0.514 54.372 54.840 0.076 0.000 0.860 333 L CB 1.895 43.996 42.059 0.071 0.000 1.265 333 L HN 0.094 nan 8.230 nan 0.000 0.403 334 G N 3.649 112.495 108.800 0.077 0.000 2.583 334 G HA2 0.737 4.697 3.960 0.001 0.000 0.280 334 G HA3 0.737 4.697 3.960 0.001 0.000 0.280 334 G C -2.909 171.951 174.900 -0.067 0.000 1.376 334 G CA -1.235 43.921 45.100 0.092 0.000 1.043 334 G HN 0.464 nan 8.290 nan 0.000 0.538 335 P HA 0.345 nan 4.420 nan 0.000 0.282 335 P C -0.104 177.002 177.300 -0.323 0.000 1.259 335 P CA -0.594 62.043 63.100 -0.772 0.000 0.826 335 P CB 1.435 32.319 31.700 -1.360 0.000 1.064 336 I N 1.901 122.358 120.570 -0.188 0.000 2.752 336 I HA -0.095 4.075 4.170 0.001 0.000 0.287 336 I C 2.282 178.321 176.117 -0.130 0.000 1.188 336 I CA 0.228 61.482 61.300 -0.076 0.000 1.427 336 I CB 0.371 38.405 38.000 0.057 0.000 1.365 336 I HN 0.204 nan 8.210 nan 0.000 0.585 337 V N 5.495 125.272 119.914 -0.228 0.000 2.370 337 V HA -0.192 3.928 4.120 0.001 0.000 0.252 337 V C 1.119 177.033 176.094 -0.300 0.000 1.068 337 V CA 2.231 64.319 62.300 -0.354 0.000 1.061 337 V CB 0.036 31.367 31.823 -0.820 0.000 0.656 337 V HN 0.997 nan 8.190 nan 0.000 0.455 338 S N -2.864 112.615 115.700 -0.369 0.000 2.625 338 S HA 0.349 4.819 4.470 0.001 0.000 0.271 338 S C 0.469 174.529 174.600 -0.900 0.000 1.161 338 S CA 0.036 57.959 58.200 -0.462 0.000 0.820 338 S CB 1.426 64.393 63.200 -0.389 0.000 1.137 338 S HN 0.293 nan 8.310 nan 0.000 0.470 339 E N 0.582 120.152 120.200 -1.049 0.000 2.031 339 E HA -0.107 4.244 4.350 0.001 0.000 0.193 339 E C 2.186 178.564 176.600 -0.369 0.000 0.994 339 E CA 1.389 57.224 56.400 -0.941 0.000 0.800 339 E CB -0.510 28.923 29.700 -0.445 0.000 0.752 339 E HN 0.764 nan 8.360 nan 0.000 0.447 340 A N 0.974 123.642 122.820 -0.254 0.000 1.908 340 A HA -0.238 4.082 4.320 0.001 0.000 0.218 340 A C 2.134 179.653 177.584 -0.108 0.000 1.181 340 A CA 1.498 53.453 52.037 -0.137 0.000 0.627 340 A CB -0.477 18.460 19.000 -0.104 0.000 0.818 340 A HN 0.261 nan 8.150 nan 0.000 0.445 341 Q N -1.883 117.829 119.800 -0.147 0.000 2.123 341 Q HA -0.142 4.199 4.340 0.001 0.000 0.199 341 Q C 1.933 177.928 176.000 -0.009 0.000 0.966 341 Q CA 1.575 57.341 55.803 -0.063 0.000 0.845 341 Q CB -0.586 28.083 28.738 -0.115 0.000 0.907 341 Q HN 0.837 nan 8.270 nan 0.000 0.439 342 Y N 2.057 122.224 120.300 -0.221 0.000 2.128 342 Y HA -0.225 4.326 4.550 0.001 0.000 0.284 342 Y C 1.977 177.828 175.900 -0.082 0.000 1.154 342 Y CA 1.679 59.686 58.100 -0.155 0.000 1.149 342 Y CB -0.011 38.294 38.460 -0.258 0.000 0.976 342 Y HN -0.015 nan 8.280 nan 0.000 0.505 343 K N 0.072 120.400 120.400 -0.121 0.000 2.097 343 K HA -0.163 4.158 4.320 0.001 0.000 0.205 343 K C 2.113 178.646 176.600 -0.111 0.000 1.050 343 K CA 1.522 57.715 56.287 -0.157 0.000 0.938 343 K CB -0.159 32.298 32.500 -0.073 0.000 0.718 343 K HN 0.337 nan 8.250 nan 0.000 0.442 344 K N 0.721 121.087 120.400 -0.057 0.000 2.026 344 K HA -0.107 4.213 4.320 0.001 0.000 0.208 344 K C 2.138 178.732 176.600 -0.010 0.000 1.048 344 K CA 1.218 57.495 56.287 -0.015 0.000 0.929 344 K CB -0.150 32.364 32.500 0.022 0.000 0.713 344 K HN -0.070 nan 8.250 nan 0.000 0.439 345 V N 1.952 121.858 119.914 -0.014 0.000 2.343 345 V HA -0.231 3.889 4.120 0.001 0.000 0.247 345 V C 2.221 178.279 176.094 -0.059 0.000 1.051 345 V CA 1.558 63.858 62.300 -0.000 0.000 1.036 345 V CB -0.397 31.445 31.823 0.032 0.000 0.654 345 V HN 0.286 nan 8.190 nan 0.000 0.451 346 L N 0.005 121.128 121.223 -0.168 0.000 2.093 346 L HA -0.122 4.219 4.340 0.001 0.000 0.208 346 L C 2.437 179.253 176.870 -0.091 0.000 1.085 346 L CA 1.197 55.930 54.840 -0.179 0.000 0.755 346 L CB -0.686 41.176 42.059 -0.329 0.000 0.904 346 L HN 0.372 nan 8.230 nan 0.000 0.435 347 N N -0.326 118.331 118.700 -0.072 0.000 2.166 347 N HA -0.159 4.581 4.740 0.001 0.000 0.186 347 N C 1.887 177.396 175.510 -0.001 0.000 1.019 347 N CA 1.416 54.447 53.050 -0.030 0.000 0.856 347 N CB -0.592 37.882 38.487 -0.022 0.000 0.993 347 N HN 0.334 nan 8.380 nan 0.000 0.426 348 C N 0.716 120.022 119.300 0.011 0.000 2.429 348 C HA 0.007 4.467 4.460 0.001 0.000 0.277 348 C C 2.699 177.713 174.990 0.041 0.000 1.262 348 C CA 0.134 59.175 59.018 0.039 0.000 1.733 348 C CB -1.039 26.736 27.740 0.059 0.000 2.010 348 C HN 0.404 nan 8.230 nan 0.000 0.483 349 I N 0.280 120.865 120.570 0.025 0.000 2.202 349 I HA -0.175 3.995 4.170 0.001 0.000 0.242 349 I C 2.707 178.837 176.117 0.022 0.000 1.091 349 I CA 1.575 62.892 61.300 0.028 0.000 1.368 349 I CB -0.717 37.291 38.000 0.014 0.000 1.058 349 I HN 0.270 nan 8.210 nan 0.000 0.410 350 S N 0.433 116.137 115.700 0.006 0.000 2.365 350 S HA -0.218 4.252 4.470 0.001 0.000 0.225 350 S C 2.267 176.878 174.600 0.018 0.000 1.039 350 S CA 2.257 60.461 58.200 0.006 0.000 1.033 350 S CB -0.210 62.986 63.200 -0.006 0.000 0.887 350 S HN 0.407 nan 8.310 nan 0.000 0.447 351 S N 1.195 116.910 115.700 0.023 0.000 2.382 351 S HA 0.014 4.484 4.470 0.001 0.000 0.228 351 S C 2.207 176.832 174.600 0.041 0.000 1.027 351 S CA 1.017 59.236 58.200 0.032 0.000 0.991 351 S CB -0.677 62.545 63.200 0.037 0.000 0.823 351 S HN 0.696 nan 8.310 nan 0.000 0.469 352 A N 1.718 124.567 122.820 0.049 0.000 1.908 352 A HA -0.165 4.155 4.320 0.001 0.000 0.218 352 A C 2.054 179.666 177.584 0.046 0.000 1.181 352 A CA 1.703 53.775 52.037 0.058 0.000 0.627 352 A CB -0.506 18.536 19.000 0.071 0.000 0.818 352 A HN 0.421 nan 8.150 nan 0.000 0.445 353 K N -0.396 120.027 120.400 0.038 0.000 2.026 353 K HA -0.111 4.209 4.320 0.001 0.000 0.208 353 K C 2.323 178.939 176.600 0.026 0.000 1.048 353 K CA 1.525 57.830 56.287 0.030 0.000 0.929 353 K CB -0.219 32.296 32.500 0.024 0.000 0.713 353 K HN 0.432 nan 8.250 nan 0.000 0.439 354 S N 1.051 116.766 115.700 0.024 0.000 2.383 354 S HA -0.116 4.354 4.470 0.001 0.000 0.229 354 S C 1.287 175.901 174.600 0.023 0.000 1.030 354 S CA 1.238 59.451 58.200 0.021 0.000 1.002 354 S CB -0.105 63.107 63.200 0.020 0.000 0.829 354 S HN 0.371 nan 8.310 nan 0.000 0.467 355 E N -0.268 119.949 120.200 0.028 0.000 2.502 355 E HA 0.156 4.506 4.350 0.001 0.000 0.194 355 E C 1.192 177.807 176.600 0.024 0.000 1.062 355 E CA 0.324 56.741 56.400 0.028 0.000 0.867 355 E CB 0.069 29.792 29.700 0.038 0.000 0.888 355 E HN 0.559 nan 8.360 nan 0.000 0.510 356 G N 0.979 109.793 108.800 0.024 0.000 2.159 356 G HA2 -0.263 3.697 3.960 0.001 0.000 0.227 356 G HA3 -0.263 3.697 3.960 0.001 0.000 0.227 356 G C 0.337 175.251 174.900 0.023 0.000 0.986 356 G CA -0.017 45.095 45.100 0.020 0.000 0.651 356 G HN 0.445 nan 8.290 nan 0.000 0.523 357 A N -0.218 122.621 122.820 0.032 0.000 2.313 357 A HA 0.771 5.091 4.320 0.001 0.000 0.261 357 A C 0.649 178.257 177.584 0.039 0.000 1.090 357 A CA 0.874 52.935 52.037 0.039 0.000 0.807 357 A CB 0.505 19.538 19.000 0.056 0.000 1.055 357 A HN 0.759 nan 8.150 nan 0.000 0.492 358 T N 2.189 116.770 114.554 0.044 0.000 2.767 358 T HA 0.403 4.753 4.350 0.001 0.000 0.288 358 T C 0.028 174.760 174.700 0.053 0.000 0.963 358 T CA -0.175 61.951 62.100 0.043 0.000 1.019 358 T CB 0.441 69.333 68.868 0.040 0.000 0.923 358 T HN 0.347 nan 8.240 nan 0.000 0.468 359 I N 4.946 125.544 120.570 0.047 0.000 2.243 359 I HA 0.138 4.308 4.170 0.001 0.000 0.297 359 I C 1.345 177.492 176.117 0.050 0.000 1.161 359 I CA -0.124 61.208 61.300 0.052 0.000 1.298 359 I CB -0.299 37.727 38.000 0.042 0.000 1.475 359 I HN 0.692 nan 8.210 nan 0.000 0.561 360 L N 3.333 124.592 121.223 0.060 0.000 2.093 360 L HA -0.082 4.258 4.340 0.001 0.000 0.208 360 L C 0.975 177.877 176.870 0.052 0.000 1.085 360 L CA 1.403 56.277 54.840 0.056 0.000 0.755 360 L CB 0.270 42.368 42.059 0.066 0.000 0.904 360 L HN 0.650 nan 8.230 nan 0.000 0.435 361 T N -2.284 112.304 114.554 0.058 0.000 2.853 361 T HA 0.528 4.879 4.350 0.001 0.000 0.311 361 T C -0.087 174.634 174.700 0.034 0.000 1.307 361 T CA 0.117 62.244 62.100 0.044 0.000 1.019 361 T CB 1.498 70.395 68.868 0.049 0.000 1.264 361 T HN 0.544 nan 8.240 nan 0.000 0.497 362 G N 2.021 110.830 108.800 0.016 0.000 2.527 362 G HA2 0.234 4.194 3.960 0.001 0.000 0.268 362 G HA3 0.234 4.194 3.960 0.001 0.000 0.268 362 G C 1.109 176.018 174.900 0.016 0.000 1.175 362 G CA 1.137 46.239 45.100 0.003 0.000 0.962 362 G HN 2.443 nan 8.290 nan 0.000 0.560 363 G N -1.057 107.752 108.800 0.016 0.000 2.162 363 G HA2 0.043 4.003 3.960 0.001 0.000 0.260 363 G HA3 0.043 4.003 3.960 0.001 0.000 0.260 363 G C 0.378 175.286 174.900 0.013 0.000 0.976 363 G CA 2.039 47.150 45.100 0.019 0.000 0.655 363 G HN 2.106 nan 8.290 nan 0.000 0.533 364 R N -1.188 119.325 120.500 0.022 0.000 2.781 364 R HA 0.674 5.015 4.340 0.001 0.000 0.269 364 R C -0.152 176.188 176.300 0.067 0.000 1.025 364 R CA -0.981 55.139 56.100 0.033 0.000 0.914 364 R CB 0.953 31.270 30.300 0.028 0.000 1.236 364 R HN 0.222 nan 8.270 nan 0.000 0.465 365 R N 2.128 122.688 120.500 0.100 0.000 2.489 365 R HA 0.171 4.511 4.340 0.001 0.000 0.287 365 R C -1.917 174.409 176.300 0.042 0.000 1.053 365 R CA -1.015 55.166 56.100 0.135 0.000 1.036 365 R CB 0.422 30.834 30.300 0.186 0.000 0.966 365 R HN 0.435 nan 8.270 nan 0.000 0.432 366 P HA -0.036 nan 4.420 nan 0.000 0.268 366 P C -0.268 176.945 177.300 -0.146 0.000 1.205 366 P CA 0.142 63.182 63.100 -0.100 0.000 0.771 366 P CB 0.846 32.387 31.700 -0.264 0.000 0.858 367 E N 1.669 121.844 120.200 -0.042 0.000 2.150 367 E HA -0.218 4.132 4.350 0.001 0.000 0.193 367 E C 1.356 177.931 176.600 -0.041 0.000 0.985 367 E CA 0.884 57.273 56.400 -0.018 0.000 0.814 367 E CB -0.188 29.531 29.700 0.032 0.000 0.752 367 E HN 0.672 nan 8.360 nan 0.000 0.466 368 H N -1.526 117.496 119.070 -0.080 0.000 2.547 368 H HA 0.212 4.768 4.556 0.001 0.000 0.266 368 H C -0.028 175.215 175.328 -0.141 0.000 0.988 368 H CA 0.074 56.062 56.048 -0.100 0.000 1.147 368 H CB -0.129 29.570 29.762 -0.106 0.000 1.365 368 H HN -0.023 nan 8.280 nan 0.000 0.589 369 L N 1.472 122.417 121.223 -0.463 0.000 2.442 369 L HA 0.302 4.642 4.340 0.001 0.000 0.261 369 L C 0.506 177.254 176.870 -0.203 0.000 1.000 369 L CA -0.555 54.045 54.840 -0.400 0.000 0.882 369 L CB 1.912 43.530 42.059 -0.734 0.000 1.207 369 L HN 0.109 nan 8.230 nan 0.000 0.443 370 K N 1.040 121.368 120.400 -0.120 0.000 2.155 370 K HA 0.068 4.389 4.320 0.001 0.000 0.203 370 K C 0.330 176.901 176.600 -0.049 0.000 1.052 370 K CA 0.909 57.158 56.287 -0.064 0.000 0.948 370 K CB 0.274 32.746 32.500 -0.047 0.000 0.728 370 K HN 0.447 nan 8.250 nan 0.000 0.448 371 K N -0.205 120.159 120.400 -0.060 0.000 2.352 371 K HA 0.457 4.777 4.320 0.001 0.000 0.240 371 K C -0.177 176.390 176.600 -0.055 0.000 1.017 371 K CA -0.435 55.805 56.287 -0.077 0.000 0.851 371 K CB 2.172 34.616 32.500 -0.093 0.000 1.261 371 K HN 0.186 nan 8.250 nan 0.000 0.451 372 G N 0.371 109.017 108.800 -0.257 0.000 2.663 372 G HA2 -0.219 3.741 3.960 0.001 0.000 0.686 372 G HA3 -0.219 3.741 3.960 0.001 0.000 0.686 372 G C -1.121 173.414 174.900 -0.608 0.000 1.246 372 G CA -0.897 43.928 45.100 -0.458 0.000 0.795 372 G HN 0.567 nan 8.290 nan 0.000 0.627 373 Y N 0.067 119.952 120.300 -0.692 0.000 2.767 373 Y HA 0.510 5.060 4.550 0.001 0.000 0.354 373 Y C 0.683 176.127 175.900 -0.761 0.000 1.292 373 Y CA -0.689 56.767 58.100 -1.074 0.000 1.749 373 Y CB -0.008 37.968 38.460 -0.806 0.000 1.841 373 Y HN 0.337 nan 8.280 nan 0.000 0.454 374 F N 0.645 120.459 119.950 -0.226 0.000 2.420 374 F HA 0.536 5.063 4.527 0.001 0.000 0.342 374 F C -0.116 175.792 175.800 0.181 0.000 1.113 374 F CA -1.090 56.900 58.000 -0.017 0.000 1.059 374 F CB 1.257 40.197 39.000 -0.100 0.000 1.128 374 F HN -0.159 nan 8.300 nan 0.000 0.475 375 V N 2.641 122.748 119.914 0.322 0.000 2.588 375 V HA 0.277 4.397 4.120 0.001 0.000 0.304 375 V C -0.239 175.918 176.094 0.105 0.000 1.042 375 V CA -1.325 61.105 62.300 0.216 0.000 0.877 375 V CB 1.620 33.540 31.823 0.160 0.000 0.996 375 V HN 0.658 nan 8.190 nan 0.000 0.425 376 E N 4.388 124.620 120.200 0.054 0.000 2.413 376 E HA 0.160 4.511 4.350 0.001 0.000 0.263 376 E C -2.428 174.102 176.600 -0.116 0.000 1.015 376 E CA -1.453 54.936 56.400 -0.018 0.000 0.916 376 E CB 0.391 30.086 29.700 -0.008 0.000 0.947 376 E HN 0.451 nan 8.360 nan 0.000 0.440 377 P HA -0.048 nan 4.420 nan 0.000 0.261 377 P C -1.041 176.054 177.300 -0.342 0.000 1.183 377 P CA 0.519 63.223 63.100 -0.660 0.000 0.761 377 P CB 0.465 31.549 31.700 -1.027 0.000 0.785 378 T N 4.759 119.218 114.554 -0.159 0.000 2.792 378 T HA 0.567 4.918 4.350 0.001 0.000 0.280 378 T C 0.174 175.008 174.700 0.224 0.000 0.990 378 T CA -0.321 61.815 62.100 0.059 0.000 0.960 378 T CB 0.487 69.397 68.868 0.071 0.000 0.939 378 T HN 0.167 nan 8.240 nan 0.000 0.439 379 I N 3.720 124.402 120.570 0.186 0.000 2.433 379 I HA 0.513 4.684 4.170 0.001 0.000 0.292 379 I C -0.525 175.674 176.117 0.137 0.000 1.001 379 I CA -0.846 60.573 61.300 0.198 0.000 1.119 379 I CB 1.597 39.711 38.000 0.190 0.000 1.289 379 I HN 0.452 nan 8.210 nan 0.000 0.438 380 I N 5.046 125.699 120.570 0.138 0.000 2.436 380 I HA 0.405 4.575 4.170 0.001 0.000 0.289 380 I C 0.004 176.190 176.117 0.116 0.000 1.010 380 I CA -0.205 61.165 61.300 0.117 0.000 1.098 380 I CB 2.179 40.251 38.000 0.120 0.000 1.266 380 I HN 0.518 nan 8.210 nan 0.000 0.434 381 T N 2.301 116.910 114.554 0.091 0.000 2.773 381 T HA 0.277 4.628 4.350 0.001 0.000 0.278 381 T C -0.694 174.040 174.700 0.057 0.000 1.011 381 T CA -0.213 61.935 62.100 0.080 0.000 1.014 381 T CB 0.878 69.790 68.868 0.073 0.000 1.293 381 T HN 0.703 nan 8.240 nan 0.000 0.554 382 D N 0.411 120.833 120.400 0.038 0.000 2.689 382 D HA -0.113 4.527 4.640 0.001 0.000 0.237 382 D C -0.433 175.872 176.300 0.010 0.000 1.148 382 D CA 0.415 54.425 54.000 0.015 0.000 0.656 382 D CB -1.499 39.311 40.800 0.016 0.000 1.050 382 D HN 0.279 nan 8.370 nan 0.000 0.426 383 V N 0.534 120.452 119.914 0.007 0.000 2.465 383 V HA 0.326 4.447 4.120 0.001 0.000 0.279 383 V C 1.029 177.056 176.094 -0.113 0.000 1.045 383 V CA 0.092 62.392 62.300 -0.001 0.000 0.938 383 V CB 2.008 33.881 31.823 0.082 0.000 0.986 383 V HN 0.100 nan 8.190 nan 0.000 0.467 384 T N 2.688 117.172 114.554 -0.117 0.000 2.888 384 T HA 0.183 4.533 4.350 0.001 0.000 0.284 384 T C 1.096 175.621 174.700 -0.293 0.000 1.017 384 T CA -0.150 61.834 62.100 -0.193 0.000 1.022 384 T CB 1.680 70.489 68.868 -0.099 0.000 1.013 384 T HN 0.818 nan 8.240 nan 0.000 0.465 385 T N 1.494 115.777 114.554 -0.452 0.000 3.007 385 T HA -0.074 4.277 4.350 0.001 0.000 0.270 385 T C 1.880 176.502 174.700 -0.129 0.000 1.107 385 T CA 1.577 63.296 62.100 -0.635 0.000 1.118 385 T CB -0.238 68.302 68.868 -0.547 0.000 0.889 385 T HN 0.660 nan 8.240 nan 0.000 0.506 386 S N -0.344 115.322 115.700 -0.057 0.000 2.575 386 S HA 0.322 4.792 4.470 0.001 0.000 0.215 386 S C 0.683 175.327 174.600 0.073 0.000 0.966 386 S CA -0.331 57.889 58.200 0.033 0.000 0.911 386 S CB -0.296 62.909 63.200 0.009 0.000 0.780 386 S HN 0.384 nan 8.310 nan 0.000 0.514 387 M N 1.903 121.553 119.600 0.082 0.000 2.243 387 M HA 0.159 4.639 4.480 0.001 0.000 0.341 387 M C 1.733 178.133 176.300 0.167 0.000 1.130 387 M CA -0.093 55.273 55.300 0.111 0.000 1.162 387 M CB 0.680 33.343 32.600 0.105 0.000 1.497 387 M HN 0.256 nan 8.290 nan 0.000 0.456 388 Q N 1.845 121.723 119.800 0.129 0.000 2.135 388 Q HA -0.205 4.135 4.340 0.001 0.000 0.204 388 Q C 1.600 177.693 176.000 0.155 0.000 0.981 388 Q CA 1.712 57.593 55.803 0.129 0.000 0.856 388 Q CB -0.032 28.762 28.738 0.094 0.000 0.902 388 Q HN 0.761 nan 8.270 nan 0.000 0.425 389 I N 0.100 120.770 120.570 0.166 0.000 2.361 389 I HA -0.245 3.926 4.170 0.001 0.000 0.251 389 I C 1.819 178.073 176.117 0.228 0.000 1.133 389 I CA 1.179 62.584 61.300 0.175 0.000 1.413 389 I CB -0.270 37.827 38.000 0.161 0.000 1.073 389 I HN 0.465 nan 8.210 nan 0.000 0.424 390 W N 1.047 122.387 121.300 0.066 0.000 2.436 390 W HA -0.152 4.508 4.660 0.001 0.000 0.284 390 W C 2.470 179.036 176.519 0.079 0.000 1.225 390 W CA 1.148 58.532 57.345 0.064 0.000 1.271 390 W CB -0.055 29.433 29.460 0.047 0.000 1.114 390 W HN 0.117 nan 8.180 nan 0.000 0.559 391 R N 0.472 121.084 120.500 0.187 0.000 2.075 391 R HA 0.014 4.355 4.340 0.001 0.000 0.220 391 R C 0.052 176.421 176.300 0.115 0.000 1.118 391 R CA 0.820 56.990 56.100 0.118 0.000 0.986 391 R CB -0.141 30.257 30.300 0.164 0.000 0.884 391 R HN -0.030 nan 8.270 nan 0.000 0.439 392 E N 1.406 121.686 120.200 0.132 0.000 2.166 392 E HA 0.056 4.406 4.350 0.001 0.000 0.275 392 E C -1.245 175.439 176.600 0.141 0.000 0.941 392 E CA -0.423 56.072 56.400 0.158 0.000 0.784 392 E CB 1.899 31.676 29.700 0.129 0.000 1.115 392 E HN 0.187 nan 8.360 nan 0.000 0.399 393 E N 2.582 122.877 120.200 0.158 0.000 2.480 393 E HA -0.055 4.296 4.350 0.001 0.000 0.258 393 E C 0.319 176.999 176.600 0.134 0.000 0.984 393 E CA -0.175 56.283 56.400 0.096 0.000 0.930 393 E CB 0.707 30.405 29.700 -0.003 0.000 0.936 393 E HN 0.323 nan 8.360 nan 0.000 0.466 394 V N 5.336 125.347 119.914 0.162 0.000 2.426 394 V HA -0.084 4.036 4.120 0.001 0.000 0.242 394 V C 0.825 177.093 176.094 0.291 0.000 1.036 394 V CA 0.565 62.972 62.300 0.178 0.000 1.044 394 V CB -0.675 31.234 31.823 0.143 0.000 0.688 394 V HN 0.951 nan 8.190 nan 0.000 0.462 395 F N 0.843 120.828 119.950 0.058 0.000 3.071 395 F HA -0.041 4.486 4.527 0.001 0.000 0.295 395 F C 0.570 176.437 175.800 0.112 0.000 0.919 395 F CA 0.768 58.818 58.000 0.083 0.000 1.050 395 F CB -1.211 37.857 39.000 0.114 0.000 1.040 395 F HN 0.303 nan 8.300 nan 0.000 0.692 396 G N -0.515 108.365 108.800 0.132 0.000 2.695 396 G HA2 0.668 4.628 3.960 0.001 0.000 0.290 396 G HA3 0.668 4.628 3.960 0.001 0.000 0.290 396 G C -3.034 171.936 174.900 0.118 0.000 1.410 396 G CA -1.041 44.122 45.100 0.105 0.000 0.844 396 G HN -0.159 nan 8.290 nan 0.000 0.478 397 P HA 0.278 nan 4.420 nan 0.000 0.230 397 P C -0.635 176.866 177.300 0.335 0.000 1.791 397 P CA -0.067 63.194 63.100 0.269 0.000 1.020 397 P CB 0.324 32.046 31.700 0.037 0.000 1.977 398 V N 3.834 123.948 119.914 0.334 0.000 2.482 398 V HA 0.316 4.436 4.120 0.001 0.000 0.295 398 V C -0.141 176.099 176.094 0.243 0.000 1.026 398 V CA -0.824 61.642 62.300 0.277 0.000 0.856 398 V CB 2.265 34.186 31.823 0.163 0.000 1.001 398 V HN 0.164 nan 8.190 nan 0.000 0.424 399 L N 4.857 126.238 121.223 0.262 0.000 2.322 399 L HA 0.945 5.285 4.340 0.001 0.000 0.281 399 L C 0.173 177.136 176.870 0.154 0.000 1.014 399 L CA -0.101 54.824 54.840 0.142 0.000 0.815 399 L CB 1.568 43.660 42.059 0.054 0.000 1.247 399 L HN 0.735 nan 8.230 nan 0.000 0.421 400 A N 5.069 127.979 122.820 0.149 0.000 2.304 400 A HA 0.745 5.065 4.320 0.001 0.000 0.323 400 A C -1.080 176.645 177.584 0.234 0.000 1.195 400 A CA -0.537 51.621 52.037 0.202 0.000 0.826 400 A CB 1.066 20.220 19.000 0.256 0.000 1.184 400 A HN 0.523 nan 8.150 nan 0.000 0.496 401 V N 3.292 123.336 119.914 0.217 0.000 2.417 401 V HA 0.460 4.580 4.120 0.001 0.000 0.291 401 V C 0.136 176.344 176.094 0.191 0.000 1.024 401 V CA -0.471 61.953 62.300 0.207 0.000 0.861 401 V CB 1.285 33.204 31.823 0.161 0.000 0.985 401 V HN 0.946 nan 8.190 nan 0.000 0.436 402 K N 1.577 122.105 120.400 0.213 0.000 2.400 402 K HA 0.715 5.036 4.320 0.001 0.000 0.246 402 K C -0.761 175.906 176.600 0.111 0.000 0.995 402 K CA -0.686 55.660 56.287 0.100 0.000 0.840 402 K CB 2.507 34.990 32.500 -0.028 0.000 1.293 402 K HN 0.665 nan 8.250 nan 0.000 0.445 403 T N 0.912 115.493 114.554 0.046 0.000 2.932 403 T HA 0.725 5.075 4.350 0.001 0.000 0.289 403 T C -1.544 173.185 174.700 0.048 0.000 1.039 403 T CA -0.648 61.458 62.100 0.009 0.000 1.024 403 T CB 0.464 69.303 68.868 -0.049 0.000 1.090 403 T HN 0.425 nan 8.240 nan 0.000 0.496 404 F N 0.660 120.523 119.950 -0.146 0.000 2.626 404 F HA 0.687 5.214 4.527 0.001 0.000 0.311 404 F C 0.667 176.287 175.800 -0.300 0.000 1.088 404 F CA -0.742 57.147 58.000 -0.185 0.000 0.949 404 F CB 1.313 40.210 39.000 -0.172 0.000 1.322 404 F HN 0.443 nan 8.300 nan 0.000 0.461 405 S N -0.522 115.141 115.700 -0.062 0.000 2.524 405 S HA 0.286 4.756 4.470 0.001 0.000 0.222 405 S C 0.298 174.902 174.600 0.006 0.000 1.040 405 S CA 0.655 58.736 58.200 -0.198 0.000 0.915 405 S CB -0.401 62.741 63.200 -0.097 0.000 0.831 405 S HN 1.102 nan 8.310 nan 0.000 0.492 406 T N -1.156 113.535 114.554 0.228 0.000 2.906 406 T HA 0.520 4.870 4.350 0.001 0.000 0.295 406 T C 0.482 175.349 174.700 0.278 0.000 1.075 406 T CA -0.459 61.789 62.100 0.248 0.000 1.005 406 T CB 2.032 70.977 68.868 0.128 0.000 1.136 406 T HN 0.119 nan 8.240 nan 0.000 0.498 407 E N 0.700 121.068 120.200 0.280 0.000 2.058 407 E HA -0.251 4.099 4.350 0.001 0.000 0.194 407 E C 1.736 178.347 176.600 0.018 0.000 0.997 407 E CA 1.668 58.192 56.400 0.206 0.000 0.801 407 E CB -0.063 29.796 29.700 0.264 0.000 0.746 407 E HN 0.844 nan 8.360 nan 0.000 0.450 408 E N 0.332 120.555 120.200 0.038 0.000 2.097 408 E HA -0.285 4.066 4.350 0.001 0.000 0.196 408 E C 2.073 178.655 176.600 -0.030 0.000 1.000 408 E CA 1.532 57.935 56.400 0.004 0.000 0.804 408 E CB -0.077 29.635 29.700 0.019 0.000 0.740 408 E HN 0.374 nan 8.360 nan 0.000 0.454 409 E N -0.163 120.023 120.200 -0.024 0.000 2.077 409 E HA -0.210 4.141 4.350 0.001 0.000 0.193 409 E C 1.955 178.474 176.600 -0.135 0.000 0.989 409 E CA 0.946 57.325 56.400 -0.034 0.000 0.800 409 E CB -0.140 29.580 29.700 0.033 0.000 0.746 409 E HN 0.302 nan 8.360 nan 0.000 0.452 410 A N 2.401 124.995 122.820 -0.375 0.000 1.865 410 A HA -0.201 4.119 4.320 0.001 0.000 0.217 410 A C 2.343 179.734 177.584 -0.321 0.000 1.191 410 A CA 1.719 53.328 52.037 -0.713 0.000 0.623 410 A CB -0.902 17.149 19.000 -1.581 0.000 0.826 410 A HN 0.605 nan 8.150 nan 0.000 0.444 411 I N -0.952 119.501 120.570 -0.195 0.000 2.315 411 I HA -0.201 3.970 4.170 0.001 0.000 0.248 411 I C 1.449 177.536 176.117 -0.050 0.000 1.117 411 I CA 2.471 63.715 61.300 -0.093 0.000 1.404 411 I CB -1.323 36.648 38.000 -0.049 0.000 1.071 411 I HN 0.171 nan 8.210 nan 0.000 0.419 412 N N 1.754 120.430 118.700 -0.040 0.000 2.166 412 N HA -0.097 4.644 4.740 0.001 0.000 0.186 412 N C 2.019 177.552 175.510 0.039 0.000 1.019 412 N CA 1.381 54.428 53.050 -0.005 0.000 0.856 412 N CB -0.463 38.021 38.487 -0.006 0.000 0.993 412 N HN 0.456 nan 8.380 nan 0.000 0.426 413 L N 0.219 121.472 121.223 0.049 0.000 2.072 413 L HA -0.038 4.302 4.340 0.001 0.000 0.205 413 L C 2.309 179.315 176.870 0.228 0.000 1.079 413 L CA 0.946 55.902 54.840 0.193 0.000 0.752 413 L CB -0.413 41.750 42.059 0.173 0.000 0.906 413 L HN 0.106 nan 8.230 nan 0.000 0.436 414 A N 0.110 122.971 122.820 0.069 0.000 1.933 414 A HA -0.168 4.153 4.320 0.001 0.000 0.218 414 A C 1.768 179.346 177.584 -0.009 0.000 1.175 414 A CA 1.664 53.708 52.037 0.010 0.000 0.628 414 A CB -0.421 18.557 19.000 -0.037 0.000 0.814 414 A HN 0.430 nan 8.150 nan 0.000 0.444 415 N N 0.273 118.973 118.700 0.001 0.000 2.383 415 N HA 0.014 4.754 4.740 0.001 0.000 0.192 415 N C -0.348 175.155 175.510 -0.011 0.000 1.141 415 N CA 0.342 53.383 53.050 -0.016 0.000 0.851 415 N CB -0.047 38.428 38.487 -0.020 0.000 0.976 415 N HN 0.442 nan 8.380 nan 0.000 0.465 416 D N 0.677 121.105 120.400 0.046 0.000 2.688 416 D HA 0.093 4.734 4.640 0.001 0.000 0.228 416 D C -0.729 175.568 176.300 -0.006 0.000 1.116 416 D CA 0.179 54.229 54.000 0.083 0.000 1.023 416 D CB -0.120 40.860 40.800 0.300 0.000 1.100 416 D HN -0.094 nan 8.370 nan 0.000 0.487 417 T N 0.108 114.587 114.554 -0.124 0.000 2.977 417 T HA 0.137 4.487 4.350 0.001 0.000 0.345 417 T C 0.276 174.837 174.700 -0.233 0.000 1.562 417 T CA -0.594 61.401 62.100 -0.175 0.000 1.090 417 T CB 0.680 69.496 68.868 -0.086 0.000 1.383 417 T HN 0.245 nan 8.240 nan 0.000 0.484 418 H N 1.384 120.369 119.070 -0.141 0.000 2.547 418 H HA 0.267 4.823 4.556 0.001 0.000 0.272 418 H C 0.151 175.373 175.328 -0.175 0.000 0.989 418 H CA 0.505 56.446 56.048 -0.178 0.000 1.214 418 H CB 0.098 29.713 29.762 -0.245 0.000 1.389 418 H HN 0.447 nan 8.280 nan 0.000 0.577 419 Y N -0.388 119.944 120.300 0.054 0.000 2.281 419 Y HA 0.343 4.893 4.550 0.001 0.000 0.337 419 Y C 1.273 177.159 175.900 -0.023 0.000 1.304 419 Y CA -0.065 58.042 58.100 0.012 0.000 1.465 419 Y CB 0.996 39.449 38.460 -0.013 0.000 1.350 419 Y HN 0.099 nan 8.280 nan 0.000 0.575 420 G N 0.966 109.863 108.800 0.162 0.000 5.114 420 G HA2 0.200 4.160 3.960 0.001 0.000 0.209 420 G HA3 0.200 4.160 3.960 0.001 0.000 0.209 420 G C -0.593 174.277 174.900 -0.051 0.000 1.021 420 G CA -0.252 44.864 45.100 0.027 0.000 0.608 420 G HN 0.478 nan 8.290 nan 0.000 0.360 421 L N 0.848 122.024 121.223 -0.079 0.000 2.228 421 L HA 0.750 5.090 4.340 0.001 0.000 0.196 421 L C 1.349 178.038 176.870 -0.301 0.000 1.162 421 L CA 1.811 56.539 54.840 -0.187 0.000 0.801 421 L CB -0.528 41.444 42.059 -0.146 0.000 0.983 421 L HN 0.267 nan 8.230 nan 0.000 0.471 422 G N -1.222 107.446 108.800 -0.220 0.000 2.597 422 G HA2 0.607 4.568 3.960 0.001 0.000 0.317 422 G HA3 0.607 4.568 3.960 0.001 0.000 0.317 422 G C -1.442 173.393 174.900 -0.108 0.000 1.230 422 G CA 0.257 45.199 45.100 -0.265 0.000 0.996 422 G HN 0.670 nan 8.290 nan 0.000 0.490 423 S N -2.282 113.377 115.700 -0.068 0.000 2.586 423 S HA 0.737 5.207 4.470 0.001 0.000 0.277 423 S C -0.933 173.762 174.600 0.159 0.000 1.131 423 S CA -0.164 58.058 58.200 0.038 0.000 0.848 423 S CB 1.212 64.378 63.200 -0.056 0.000 1.091 423 S HN 2.199 nan 8.310 nan 0.000 0.453 424 A N 1.109 124.028 122.820 0.164 0.000 2.449 424 A HA 0.833 5.153 4.320 0.001 0.000 0.302 424 A C -1.018 176.619 177.584 0.089 0.000 1.048 424 A CA -0.842 51.300 52.037 0.175 0.000 0.708 424 A CB 1.715 20.836 19.000 0.201 0.000 1.274 424 A HN 1.561 nan 8.150 nan 0.000 0.410 425 V N 2.396 122.356 119.914 0.076 0.000 2.448 425 V HA 0.592 4.712 4.120 0.001 0.000 0.295 425 V C -0.473 175.668 176.094 0.079 0.000 1.025 425 V CA -0.574 61.785 62.300 0.098 0.000 0.859 425 V CB 1.420 33.302 31.823 0.099 0.000 0.988 425 V HN 0.832 nan 8.190 nan 0.000 0.431 426 M N 4.736 124.407 119.600 0.119 0.000 2.023 426 M HA 0.640 5.121 4.480 0.001 0.000 0.325 426 M C -0.268 176.127 176.300 0.158 0.000 0.963 426 M CA -0.121 55.226 55.300 0.079 0.000 0.928 426 M CB 0.783 33.400 32.600 0.029 0.000 1.429 426 M HN 0.870 nan 8.290 nan 0.000 0.404 427 S N 1.939 117.695 115.700 0.092 0.000 2.543 427 S HA 0.490 4.961 4.470 0.001 0.000 0.274 427 S C -0.078 174.519 174.600 -0.006 0.000 1.149 427 S CA -0.734 57.499 58.200 0.056 0.000 0.866 427 S CB 1.440 64.641 63.200 0.002 0.000 1.111 427 S HN 0.553 nan 8.310 nan 0.000 0.457 428 N N 1.272 119.965 118.700 -0.012 0.000 2.331 428 N HA -0.004 4.736 4.740 0.001 0.000 0.180 428 N C -0.020 175.465 175.510 -0.040 0.000 1.019 428 N CA 0.801 53.840 53.050 -0.018 0.000 0.881 428 N CB -0.477 38.006 38.487 -0.008 0.000 0.972 428 N HN 0.815 nan 8.380 nan 0.000 0.435 429 D N 1.186 121.545 120.400 -0.068 0.000 2.346 429 D HA 0.007 4.647 4.640 0.001 0.000 0.267 429 D C 1.196 177.440 176.300 -0.092 0.000 1.320 429 D CA 0.052 53.998 54.000 -0.089 0.000 0.951 429 D CB 0.261 40.982 40.800 -0.130 0.000 1.079 429 D HN 0.091 nan 8.370 nan 0.000 0.509 430 L N 2.874 124.058 121.223 -0.065 0.000 2.217 430 L HA -0.051 4.290 4.340 0.001 0.000 0.211 430 L C 2.216 179.046 176.870 -0.066 0.000 1.107 430 L CA 0.578 55.383 54.840 -0.058 0.000 0.783 430 L CB -0.175 41.859 42.059 -0.041 0.000 0.919 430 L HN 0.490 nan 8.230 nan 0.000 0.442 431 E N 0.740 120.897 120.200 -0.070 0.000 2.077 431 E HA -0.279 4.072 4.350 0.001 0.000 0.193 431 E C 2.317 178.862 176.600 -0.092 0.000 0.989 431 E CA 1.146 57.504 56.400 -0.070 0.000 0.800 431 E CB 0.135 29.796 29.700 -0.064 0.000 0.746 431 E HN 0.313 nan 8.360 nan 0.000 0.452 432 R N -0.160 120.259 120.500 -0.134 0.000 2.075 432 R HA -0.110 4.231 4.340 0.001 0.000 0.232 432 R C 2.371 178.577 176.300 -0.157 0.000 1.126 432 R CA 1.661 57.643 56.100 -0.198 0.000 0.963 432 R CB -0.534 29.551 30.300 -0.357 0.000 0.858 432 R HN 0.242 nan 8.270 nan 0.000 0.435 433 C N 0.843 120.070 119.300 -0.121 0.000 2.413 433 C HA -0.108 4.353 4.460 0.001 0.000 0.276 433 C C 2.542 177.500 174.990 -0.052 0.000 1.236 433 C CA 1.293 60.271 59.018 -0.065 0.000 1.735 433 C CB -0.860 26.851 27.740 -0.049 0.000 2.031 433 C HN 0.666 nan 8.230 nan 0.000 0.474 434 E N 0.430 120.596 120.200 -0.057 0.000 2.077 434 E HA -0.237 4.113 4.350 0.001 0.000 0.193 434 E C 2.438 179.009 176.600 -0.048 0.000 0.989 434 E CA 1.045 57.415 56.400 -0.051 0.000 0.800 434 E CB -0.213 29.458 29.700 -0.047 0.000 0.746 434 E HN 0.492 nan 8.360 nan 0.000 0.452 435 R N -0.122 120.346 120.500 -0.052 0.000 2.096 435 R HA -0.178 4.162 4.340 0.001 0.000 0.240 435 R C 2.448 178.727 176.300 -0.034 0.000 1.139 435 R CA 1.517 57.590 56.100 -0.045 0.000 0.952 435 R CB -0.227 30.041 30.300 -0.054 0.000 0.854 435 R HN 0.213 nan 8.270 nan 0.000 0.436 436 L N 0.275 121.482 121.223 -0.027 0.000 2.156 436 L HA -0.123 4.217 4.340 0.001 0.000 0.208 436 L C 2.491 179.348 176.870 -0.022 0.000 1.095 436 L CA 1.567 56.406 54.840 -0.002 0.000 0.770 436 L CB -0.279 41.813 42.059 0.055 0.000 0.914 436 L HN 0.271 nan 8.230 nan 0.000 0.439 437 S N -0.974 114.704 115.700 -0.037 0.000 2.399 437 S HA -0.207 4.263 4.470 0.001 0.000 0.231 437 S C 1.958 176.517 174.600 -0.068 0.000 1.022 437 S CA 0.972 59.136 58.200 -0.060 0.000 0.983 437 S CB -0.320 62.840 63.200 -0.068 0.000 0.803 437 S HN 0.406 nan 8.310 nan 0.000 0.480 438 K N 1.083 121.451 120.400 -0.054 0.000 2.228 438 K HA 0.273 4.593 4.320 0.001 0.000 0.202 438 K C 2.320 178.892 176.600 -0.047 0.000 1.051 438 K CA 0.881 57.136 56.287 -0.052 0.000 0.960 438 K CB -0.254 32.220 32.500 -0.043 0.000 0.743 438 K HN 0.499 nan 8.250 nan 0.000 0.458 439 A N 0.951 123.747 122.820 -0.040 0.000 2.030 439 A HA 0.110 4.430 4.320 0.001 0.000 0.215 439 A C 0.847 178.407 177.584 -0.040 0.000 1.164 439 A CA 0.083 52.099 52.037 -0.034 0.000 0.697 439 A CB -0.084 18.901 19.000 -0.024 0.000 0.827 439 A HN 0.094 nan 8.150 nan 0.000 0.457 440 L N 1.316 122.510 121.223 -0.048 0.000 2.418 440 L HA 0.074 4.415 4.340 0.001 0.000 0.274 440 L C 0.012 176.840 176.870 -0.069 0.000 1.135 440 L CA -0.114 54.692 54.840 -0.057 0.000 0.870 440 L CB 0.630 42.651 42.059 -0.063 0.000 1.154 440 L HN 0.375 nan 8.230 nan 0.000 0.462 441 Q N 3.877 123.641 119.800 -0.059 0.000 2.553 441 Q HA 0.531 4.871 4.340 0.001 0.000 0.221 441 Q C -0.351 175.604 176.000 -0.074 0.000 1.219 441 Q CA -0.218 55.550 55.803 -0.059 0.000 0.955 441 Q CB 0.785 29.500 28.738 -0.039 0.000 1.399 441 Q HN 0.705 nan 8.270 nan 0.000 0.551 442 A N 0.219 122.972 122.820 -0.111 0.000 2.609 442 A HA 0.705 5.025 4.320 0.001 0.000 0.291 442 A C 0.651 178.109 177.584 -0.210 0.000 1.096 442 A CA -0.328 51.616 52.037 -0.156 0.000 0.684 442 A CB 0.921 19.810 19.000 -0.185 0.000 1.282 442 A HN 0.545 nan 8.150 nan 0.000 0.412 443 G N -0.236 108.402 108.800 -0.270 0.000 2.408 443 G HA2 0.299 4.259 3.960 0.001 0.000 0.215 443 G HA3 0.299 4.259 3.960 0.001 0.000 0.215 443 G C 0.475 175.105 174.900 -0.450 0.000 1.156 443 G CA 0.890 45.792 45.100 -0.331 0.000 0.793 443 G HN 0.599 nan 8.290 nan 0.000 0.535 444 I N 1.100 121.317 120.570 -0.588 0.000 2.474 444 I HA 0.492 4.662 4.170 0.001 0.000 0.294 444 I C -1.044 174.637 176.117 -0.727 0.000 1.005 444 I CA -1.030 59.796 61.300 -0.789 0.000 1.113 444 I CB 1.681 38.912 38.000 -1.283 0.000 1.289 444 I HN -0.280 nan 8.210 nan 0.000 0.436 445 V N 4.892 124.429 119.914 -0.628 0.000 2.443 445 V HA 0.373 4.494 4.120 0.001 0.000 0.293 445 V C -0.679 175.173 176.094 -0.403 0.000 1.021 445 V CA -0.589 61.459 62.300 -0.421 0.000 0.848 445 V CB 2.021 33.707 31.823 -0.229 0.000 0.998 445 V HN 0.584 nan 8.190 nan 0.000 0.424 446 W N 5.170 126.412 121.300 -0.098 0.000 2.351 446 W HA 0.603 5.263 4.660 0.001 0.000 0.311 446 W C -0.358 176.084 176.519 -0.129 0.000 1.168 446 W CA -0.843 56.433 57.345 -0.115 0.000 1.200 446 W CB 1.474 30.852 29.460 -0.137 0.000 1.221 446 W HN 0.400 nan 8.180 nan 0.000 0.519 447 I N 4.881 125.492 120.570 0.069 0.000 2.339 447 I HA 0.091 4.261 4.170 0.001 0.000 0.290 447 I C 0.259 176.320 176.117 -0.093 0.000 0.994 447 I CA -0.475 60.819 61.300 -0.010 0.000 1.191 447 I CB 0.842 38.829 38.000 -0.022 0.000 1.343 447 I HN 0.457 nan 8.210 nan 0.000 0.458 448 N N 3.300 121.922 118.700 -0.130 0.000 2.753 448 N HA -0.178 4.562 4.740 0.001 0.000 0.251 448 N C -0.535 174.598 175.510 -0.628 0.000 1.097 448 N CA 1.244 54.155 53.050 -0.231 0.000 0.786 448 N CB -1.222 37.190 38.487 -0.124 0.000 1.137 448 N HN 0.831 nan 8.380 nan 0.000 0.566 449 C N -3.818 115.025 119.300 -0.763 0.000 3.314 449 C HA 0.960 5.421 4.460 0.001 0.000 0.344 449 C C -0.962 173.545 174.990 -0.805 0.000 1.461 449 C CA -0.435 57.612 59.018 -1.618 0.000 1.249 449 C CB 1.694 28.332 27.740 -1.836 0.000 1.632 449 C HN 0.623 nan 8.230 nan 0.000 0.452 450 A N 0.231 122.575 122.820 -0.795 0.000 2.456 450 A HA 0.728 5.049 4.320 0.001 0.000 0.288 450 A C -0.205 176.892 177.584 -0.813 0.000 1.042 450 A CA 0.111 51.733 52.037 -0.690 0.000 0.738 450 A CB 1.051 19.929 19.000 -0.204 0.000 1.266 450 A HN 1.451 nan 8.150 nan 0.000 0.407 451 Q N -1.266 117.324 119.800 -2.017 0.000 4.421 451 Q HA -0.088 4.252 4.340 0.001 0.000 0.222 451 Q C -2.259 173.580 176.000 -0.268 0.000 0.800 451 Q CA 1.524 56.706 55.803 -1.036 0.000 0.996 451 Q CB -2.575 25.993 28.738 -0.284 0.000 0.725 451 Q HN 0.730 nan 8.270 nan 0.000 1.098 452 P HA 0.184 nan 4.420 nan 0.000 0.267 452 P C -0.407 177.045 177.300 0.253 0.000 1.209 452 P CA 0.722 63.814 63.100 -0.014 0.000 0.763 452 P CB 0.632 32.279 31.700 -0.090 0.000 0.816 453 S N 3.207 118.924 115.700 0.028 0.000 2.601 453 S HA 0.488 4.958 4.470 0.001 0.000 0.312 453 S C -0.363 174.130 174.600 -0.179 0.000 1.107 453 S CA -0.767 57.485 58.200 0.087 0.000 1.129 453 S CB -0.269 62.873 63.200 -0.098 0.000 0.982 453 S HN 0.142 nan 8.310 nan 0.000 0.469 454 F N 3.226 123.228 119.950 0.087 0.000 2.412 454 F HA 0.286 4.813 4.527 0.001 0.000 0.348 454 F C 1.836 177.542 175.800 -0.156 0.000 1.102 454 F CA -1.246 56.739 58.000 -0.024 0.000 1.196 454 F CB 0.796 39.789 39.000 -0.010 0.000 1.144 454 F HN 0.557 nan 8.300 nan 0.000 0.541 455 I N 0.505 121.016 120.570 -0.099 0.000 3.083 455 I HA -0.149 4.022 4.170 0.001 0.000 0.273 455 I C 1.146 176.927 176.117 -0.561 0.000 1.297 455 I CA 1.221 62.288 61.300 -0.387 0.000 1.452 455 I CB -0.868 36.863 38.000 -0.449 0.000 1.078 455 I HN 0.651 nan 8.210 nan 0.000 0.484 456 Q N 1.938 121.526 119.800 -0.353 0.000 2.378 456 Q HA 0.361 4.702 4.340 0.001 0.000 0.205 456 Q C 0.806 176.798 176.000 -0.014 0.000 0.954 456 Q CA 0.905 56.557 55.803 -0.251 0.000 0.901 456 Q CB 0.049 28.719 28.738 -0.112 0.000 0.981 456 Q HN 0.699 nan 8.270 nan 0.000 0.483 457 A N 1.658 124.482 122.820 0.005 0.000 2.318 457 A HA 0.561 4.882 4.320 0.001 0.000 0.324 457 A C -2.504 175.074 177.584 -0.010 0.000 1.170 457 A CA -1.926 50.130 52.037 0.032 0.000 0.810 457 A CB 0.511 19.548 19.000 0.061 0.000 1.198 457 A HN -0.063 nan 8.150 nan 0.000 0.484 458 P HA 0.035 nan 4.420 nan 0.000 0.265 458 P C -0.830 176.393 177.300 -0.128 0.000 1.193 458 P CA 0.220 63.176 63.100 -0.241 0.000 0.765 458 P CB 0.501 31.623 31.700 -0.964 0.000 0.823 459 W N 3.876 125.029 121.300 -0.244 0.000 2.781 459 W HA 0.572 5.233 4.660 0.001 0.000 0.333 459 W C -0.961 175.489 176.519 -0.116 0.000 1.047 459 W CA 0.021 57.254 57.345 -0.188 0.000 1.236 459 W CB 2.498 31.835 29.460 -0.205 0.000 1.394 459 W HN 0.733 nan 8.180 nan 0.000 0.466 460 G N 1.826 110.386 108.800 -0.399 0.000 2.322 460 G HA2 0.454 4.415 3.960 0.001 0.000 0.295 460 G HA3 0.454 4.415 3.960 0.001 0.000 0.295 460 G C -1.524 173.196 174.900 -0.300 0.000 1.369 460 G CA -0.139 44.834 45.100 -0.212 0.000 0.821 460 G HN 0.757 nan 8.290 nan 0.000 0.536 461 G N -1.217 107.494 108.800 -0.149 0.000 2.685 461 G HA2 0.877 4.837 3.960 0.001 0.000 0.298 461 G HA3 0.877 4.837 3.960 0.001 0.000 0.298 461 G C -0.174 174.701 174.900 -0.041 0.000 1.277 461 G CA -0.277 44.749 45.100 -0.124 0.000 0.986 461 G HN 1.412 nan 8.290 nan 0.000 0.487 462 I N -3.043 117.512 120.570 -0.025 0.000 3.237 462 I HA 0.803 4.973 4.170 0.001 0.000 0.308 462 I C 0.308 176.463 176.117 0.064 0.000 1.093 462 I CA -1.089 60.227 61.300 0.025 0.000 1.001 462 I CB 1.814 39.808 38.000 -0.010 0.000 1.245 462 I HN 0.708 nan 8.210 nan 0.000 0.485 463 K N 0.072 120.520 120.400 0.079 0.000 1.898 463 K HA -0.188 4.133 4.320 0.001 0.000 0.256 463 K C 0.751 177.421 176.600 0.116 0.000 1.652 463 K CA 1.327 57.666 56.287 0.087 0.000 0.589 463 K CB -0.803 31.739 32.500 0.071 0.000 0.785 463 K HN 0.641 nan 8.250 nan 0.000 0.824 464 R N 0.879 121.440 120.500 0.102 0.000 2.339 464 R HA 0.035 4.375 4.340 0.001 0.000 0.199 464 R C 1.338 177.782 176.300 0.240 0.000 1.018 464 R CA 0.756 56.919 56.100 0.104 0.000 1.036 464 R CB -0.164 30.099 30.300 -0.061 0.000 0.899 464 R HN 0.307 nan 8.270 nan 0.000 0.473 465 S N 0.071 115.912 115.700 0.236 0.000 2.603 465 S HA 0.191 4.661 4.470 0.001 0.000 0.220 465 S C 0.997 175.636 174.600 0.066 0.000 0.967 465 S CA 0.534 58.838 58.200 0.174 0.000 0.920 465 S CB 0.354 63.612 63.200 0.097 0.000 0.773 465 S HN 0.715 nan 8.310 nan 0.000 0.529 466 G N 1.172 110.009 108.800 0.061 0.000 2.500 466 G HA2 -0.023 3.937 3.960 0.001 0.000 0.209 466 G HA3 -0.023 3.937 3.960 0.001 0.000 0.209 466 G C -0.798 174.121 174.900 0.032 0.000 1.283 466 G CA -0.424 44.625 45.100 -0.084 0.000 0.960 466 G HN 0.618 nan 8.290 nan 0.000 0.528 467 F N -2.288 117.692 119.950 0.050 0.000 2.745 467 F HA 0.850 5.377 4.527 0.001 0.000 0.316 467 F C 0.598 176.420 175.800 0.038 0.000 1.155 467 F CA -0.293 57.724 58.000 0.028 0.000 0.937 467 F CB 1.201 40.215 39.000 0.023 0.000 1.361 467 F HN 2.503 nan 8.300 nan 0.000 0.472 468 G N 1.260 110.238 108.800 0.296 0.000 2.712 468 G HA2 0.216 4.176 3.960 0.001 0.000 0.686 468 G HA3 0.216 4.176 3.960 0.001 0.000 0.686 468 G C -1.737 173.227 174.900 0.107 0.000 1.321 468 G CA -1.218 43.992 45.100 0.183 0.000 0.813 468 G HN 0.778 nan 8.290 nan 0.000 0.599 469 R N 0.879 121.448 120.500 0.115 0.000 2.534 469 R HA 0.513 4.853 4.340 0.001 0.000 0.301 469 R C 0.246 176.639 176.300 0.154 0.000 0.961 469 R CA -0.659 55.501 56.100 0.101 0.000 0.871 469 R CB 1.860 32.171 30.300 0.019 0.000 1.170 469 R HN 0.780 nan 8.270 nan 0.000 0.446 470 E N 1.858 122.151 120.200 0.155 0.000 2.254 470 E HA 0.573 4.923 4.350 0.001 0.000 0.258 470 E C -0.082 176.541 176.600 0.038 0.000 1.033 470 E CA -0.905 55.561 56.400 0.110 0.000 0.893 470 E CB 1.095 30.855 29.700 0.100 0.000 1.204 470 E HN 0.277 nan 8.360 nan 0.000 0.425 471 L N -0.629 120.567 121.223 -0.046 0.000 0.587 471 L HA -0.309 4.032 4.340 0.001 0.000 0.356 471 L C 0.862 177.864 176.870 0.220 0.000 0.981 471 L CA 0.747 55.550 54.840 -0.062 0.000 1.223 471 L CB -1.545 40.268 42.059 -0.410 0.000 0.020 471 L HN 1.015 nan 8.230 nan 0.000 0.091 472 G N 0.367 109.248 108.800 0.135 0.000 2.578 472 G HA2 -0.320 3.640 3.960 0.001 0.000 0.275 472 G HA3 -0.320 3.640 3.960 0.001 0.000 0.275 472 G C 0.410 175.597 174.900 0.478 0.000 1.271 472 G CA 0.834 46.113 45.100 0.300 0.000 0.941 472 G HN 0.926 nan 8.290 nan 0.000 0.564 473 E N -0.415 119.989 120.200 0.341 0.000 2.285 473 E HA 0.015 4.365 4.350 0.001 0.000 0.194 473 E C 2.135 178.760 176.600 0.042 0.000 0.997 473 E CA 0.859 57.317 56.400 0.098 0.000 0.845 473 E CB -0.029 29.560 29.700 -0.185 0.000 0.782 473 E HN 0.538 nan 8.360 nan 0.000 0.491 474 W N 0.198 121.577 121.300 0.131 0.000 2.388 474 W HA -0.034 4.626 4.660 0.001 0.000 0.294 474 W C 2.190 178.771 176.519 0.103 0.000 1.212 474 W CA 1.117 58.517 57.345 0.091 0.000 1.271 474 W CB -0.553 28.942 29.460 0.059 0.000 1.126 474 W HN 0.218 nan 8.180 nan 0.000 0.535 475 G N 0.765 109.797 108.800 0.386 0.000 2.422 475 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 475 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 475 G C 1.455 176.506 174.900 0.251 0.000 1.146 475 G CA 0.859 46.127 45.100 0.281 0.000 0.769 475 G HN 0.159 nan 8.290 nan 0.000 0.547 476 L N 0.381 121.782 121.223 0.298 0.000 2.027 476 L HA 0.064 4.405 4.340 0.001 0.000 0.206 476 L C 2.626 179.605 176.870 0.182 0.000 1.074 476 L CA 1.742 56.725 54.840 0.238 0.000 0.745 476 L CB -0.359 41.851 42.059 0.252 0.000 0.898 476 L HN 0.071 nan 8.230 nan 0.000 0.433 477 E N -0.136 120.122 120.200 0.097 0.000 2.160 477 E HA -0.278 4.072 4.350 0.001 0.000 0.195 477 E C 1.956 178.558 176.600 0.004 0.000 0.991 477 E CA 1.159 57.578 56.400 0.031 0.000 0.810 477 E CB -0.596 29.086 29.700 -0.031 0.000 0.742 477 E HN 0.524 nan 8.360 nan 0.000 0.466 478 N N -0.214 118.453 118.700 -0.055 0.000 2.417 478 N HA -0.191 4.549 4.740 0.001 0.000 0.187 478 N C 0.488 175.678 175.510 -0.534 0.000 1.027 478 N CA 0.984 53.848 53.050 -0.310 0.000 0.891 478 N CB -0.093 38.110 38.487 -0.473 0.000 0.956 478 N HN 0.247 nan 8.380 nan 0.000 0.442 479 Y N -1.511 118.819 120.300 0.050 0.000 2.641 479 Y HA 0.399 4.949 4.550 0.001 0.000 0.248 479 Y C -0.184 175.742 175.900 0.042 0.000 1.170 479 Y CA -0.531 57.596 58.100 0.046 0.000 1.201 479 Y CB 0.648 39.128 38.460 0.033 0.000 1.232 479 Y HN -0.130 nan 8.280 nan 0.000 0.537 480 L N 0.300 121.595 121.223 0.119 0.000 2.330 480 L HA 0.624 4.965 4.340 0.001 0.000 0.271 480 L C 0.058 176.958 176.870 0.050 0.000 1.013 480 L CA -0.957 53.933 54.840 0.082 0.000 0.816 480 L CB 2.012 44.107 42.059 0.060 0.000 1.287 480 L HN -0.008 nan 8.230 nan 0.000 0.435 481 S N 0.563 116.290 115.700 0.044 0.000 2.532 481 S HA 0.713 5.183 4.470 0.001 0.000 0.301 481 S C -0.735 173.877 174.600 0.021 0.000 1.083 481 S CA -0.777 57.441 58.200 0.029 0.000 1.025 481 S CB 1.927 65.146 63.200 0.031 0.000 1.056 481 S HN 0.218 nan 8.310 nan 0.000 0.494 482 V N 2.812 122.733 119.914 0.012 0.000 2.465 482 V HA 0.464 4.585 4.120 0.001 0.000 0.279 482 V C 0.270 176.366 176.094 0.003 0.000 1.045 482 V CA -0.459 61.845 62.300 0.007 0.000 0.938 482 V CB 1.070 32.892 31.823 -0.001 0.000 0.986 482 V HN 0.953 nan 8.190 nan 0.000 0.467 483 K N 4.573 124.976 120.400 0.005 0.000 2.358 483 K HA 0.398 4.718 4.320 0.001 0.000 0.260 483 K C -0.468 176.116 176.600 -0.027 0.000 0.956 483 K CA -0.573 55.710 56.287 -0.008 0.000 0.834 483 K CB 1.399 33.901 32.500 0.004 0.000 1.102 483 K HN 0.766 nan 8.250 nan 0.000 0.431 484 Q N 4.107 123.875 119.800 -0.054 0.000 2.322 484 Q HA 0.212 4.552 4.340 0.001 0.000 0.256 484 Q C -1.247 174.661 176.000 -0.153 0.000 0.960 484 Q CA -0.615 55.133 55.803 -0.092 0.000 0.934 484 Q CB 1.181 29.871 28.738 -0.081 0.000 1.200 484 Q HN 0.403 nan 8.270 nan 0.000 0.435 485 V N 4.715 124.458 119.914 -0.285 0.000 2.304 485 V HA 0.271 4.391 4.120 0.001 0.000 0.269 485 V C -0.175 175.659 176.094 -0.432 0.000 1.036 485 V CA -0.409 61.636 62.300 -0.425 0.000 0.840 485 V CB 1.301 32.693 31.823 -0.719 0.000 1.036 485 V HN 0.758 nan 8.190 nan 0.000 0.466 486 T N 6.145 120.572 114.554 -0.211 0.000 2.779 486 T HA 0.501 4.852 4.350 0.001 0.000 0.280 486 T C -0.174 174.534 174.700 0.014 0.000 0.987 486 T CA -0.421 61.627 62.100 -0.087 0.000 0.966 486 T CB 1.102 69.933 68.868 -0.062 0.000 0.933 486 T HN 0.647 nan 8.240 nan 0.000 0.442 487 R N 2.435 122.989 120.500 0.091 0.000 2.562 487 R HA 0.378 4.718 4.340 0.001 0.000 0.298 487 R C -1.502 174.908 176.300 0.183 0.000 0.961 487 R CA -0.776 55.392 56.100 0.114 0.000 0.881 487 R CB 0.959 31.296 30.300 0.062 0.000 1.159 487 R HN 0.577 nan 8.270 nan 0.000 0.450 488 Y N 3.715 123.960 120.300 -0.092 0.000 2.504 488 Y HA 0.165 4.716 4.550 0.001 0.000 0.351 488 Y C 0.386 176.125 175.900 -0.268 0.000 0.988 488 Y CA 0.273 58.122 58.100 -0.419 0.000 1.239 488 Y CB 1.204 39.413 38.460 -0.418 0.000 1.128 488 Y HN 0.694 nan 8.280 nan 0.000 0.525 489 T N 2.184 116.465 114.554 -0.455 0.000 2.978 489 T HA -0.061 4.289 4.350 0.001 0.000 0.262 489 T C 1.014 175.441 174.700 -0.456 0.000 1.063 489 T CA 0.924 62.826 62.100 -0.330 0.000 1.140 489 T CB -0.069 68.694 68.868 -0.175 0.000 0.886 489 T HN 0.576 nan 8.240 nan 0.000 0.470 490 S N 1.068 116.308 115.700 -0.767 0.000 2.587 490 S HA -0.013 4.457 4.470 0.001 0.000 0.260 490 S C 0.594 174.884 174.600 -0.516 0.000 1.353 490 S CA -0.236 57.593 58.200 -0.618 0.000 0.995 490 S CB 0.418 63.235 63.200 -0.638 0.000 0.912 490 S HN 0.238 nan 8.310 nan 0.000 0.568 491 D N 0.120 120.367 120.400 -0.256 0.000 2.479 491 D HA 0.277 4.917 4.640 0.001 0.000 0.218 491 D C -0.228 176.059 176.300 -0.023 0.000 1.177 491 D CA -0.207 53.720 54.000 -0.121 0.000 0.830 491 D CB 0.251 41.006 40.800 -0.075 0.000 1.014 491 D HN 0.525 nan 8.370 nan 0.000 0.503 492 E N 1.316 121.514 120.200 -0.002 0.000 2.343 492 E HA 0.297 4.647 4.350 0.001 0.000 0.269 492 E C -2.139 174.602 176.600 0.235 0.000 1.047 492 E CA -1.778 54.685 56.400 0.105 0.000 0.874 492 E CB 0.841 30.607 29.700 0.110 0.000 1.033 492 E HN 0.015 nan 8.360 nan 0.000 0.409 493 P HA -0.092 nan 4.420 nan 0.000 0.269 493 P C 0.284 177.786 177.300 0.338 0.000 1.209 493 P CA -0.084 63.164 63.100 0.248 0.000 0.776 493 P CB 0.462 32.260 31.700 0.164 0.000 0.876 494 W N 3.264 124.646 121.300 0.136 0.000 2.338 494 W HA -0.103 4.557 4.660 0.001 0.000 0.304 494 W C 0.751 177.355 176.519 0.142 0.000 1.212 494 W CA 1.298 58.702 57.345 0.099 0.000 1.264 494 W CB -0.310 29.170 29.460 0.034 0.000 1.142 494 W HN 0.703 nan 8.180 nan 0.000 0.512 495 G N 0.670 109.538 108.800 0.113 0.000 2.324 495 G HA2 -0.348 3.613 3.960 0.001 0.000 0.292 495 G HA3 -0.348 3.613 3.960 0.001 0.000 0.292 495 G C -0.009 174.823 174.900 -0.114 0.000 1.079 495 G CA 0.163 45.251 45.100 -0.019 0.000 1.026 495 G HN 0.597 nan 8.290 nan 0.000 0.506 496 W N -0.647 120.507 121.300 -0.243 0.000 2.850 496 W HA 0.315 4.975 4.660 0.000 0.000 0.260 496 W C 0.027 176.382 176.519 -0.273 0.000 1.129 496 W CA 0.336 57.480 57.345 -0.336 0.000 1.587 496 W CB 0.570 29.798 29.460 -0.386 0.000 1.041 496 W HN 0.204 nan 8.180 nan 0.000 0.614 497 Y N 2.480 122.813 120.300 0.055 0.000 2.354 497 Y HA 0.229 4.780 4.550 0.001 0.000 0.322 497 Y C 0.734 176.603 175.900 -0.052 0.000 1.253 497 Y CA -0.219 57.859 58.100 -0.037 0.000 1.272 497 Y CB 0.296 38.826 38.460 0.118 0.000 1.255 497 Y HN -0.246 nan 8.280 nan 0.000 0.500 498 Q N 2.834 122.702 119.800 0.113 0.000 2.286 498 Q HA 0.210 4.550 4.340 0.001 0.000 0.267 498 Q C -2.220 173.826 176.000 0.077 0.000 1.028 498 Q CA -1.583 54.250 55.803 0.050 0.000 0.901 498 Q CB 0.363 29.110 28.738 0.015 0.000 1.183 498 Q HN 0.386 nan 8.270 nan 0.000 0.392 499 P HA 0.072 nan 4.420 nan 0.000 0.271 499 P C -1.560 175.760 177.300 0.033 0.000 1.216 499 P CA -0.858 62.274 63.100 0.054 0.000 0.776 499 P CB 0.111 31.840 31.700 0.050 0.000 0.881 500 P HA -0.105 nan 4.420 nan 0.000 0.205 500 P C 0.490 177.797 177.300 0.012 0.000 1.193 500 P CA 1.288 64.398 63.100 0.016 0.000 0.929 500 P CB 0.052 31.759 31.700 0.012 0.000 0.772 501 S N -3.543 112.165 115.700 0.012 0.000 2.302 501 S HA 0.099 4.569 4.470 0.001 0.000 0.258 501 S C 0.363 174.969 174.600 0.010 0.000 0.957 501 S CA -0.241 57.965 58.200 0.009 0.000 1.330 501 S CB 0.330 63.533 63.200 0.006 0.000 0.982 501 S HN 0.059 nan 8.310 nan 0.000 0.459 502 K N 0.000 120.407 120.400 0.012 0.000 2.780 502 K HA 0.000 4.320 4.320 0.001 0.000 0.191 502 K CA 0.000 56.294 56.287 0.012 0.000 0.838 502 K CB 0.000 32.506 32.500 0.010 0.000 1.064 502 K HN 0.000 nan 8.250 nan 0.000 0.543