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 2xg9_1_A DATA FIRST_RESID 3 DATA SEQUENCE VNVKGNYVQV YVMLPLDAVS VNNRFEKGDE LRAQLRKLVE AGVDGVMVDV DATA SEQUENCE WWGLVEGKGP KAYDWSAYKQ LFELVQKAGL KLQAIMSFHQ CGGNVGDAVN DATA SEQUENCE IPIPQWVRDV GTRDPDIFYT DGHGTRNIEY LTLGVDNQPL FHGRSAVQMY DATA SEQUENCE ADYMTSFREN MKEFLDAGVI VDIEVGLGPA GEMRYPSYPQ SHGWSFPGIG DATA SEQUENCE EFICYDKYLQ ADFKAAAAAV GHPEWEFPND VGQYNDTPER TQFFRDNGTY DATA SEQUENCE LSEKGRFFLA WYSNNLIKHG DRILDEANKV FLGYKVQLAI KISGIHWWYK DATA SEQUENCE VPSHAAELTA GYYNLHDRDG YRTIARMLKR HRASINFTCA EMRDSEQSSQ DATA SEQUENCE AMSAPEELVQ QVLSAGWREG LNVACENALP RYDPTAYNTI LRNARPHGIN DATA SEQUENCE QSGPPEHKLF GFTYLRLSNQ LVEGQNYANF KTFVDRMHAN LPRDPYVDPM DATA SEQUENCE APLPRSGPEI SIEMILQAAQ PKLQPFPFQE HTDLPVG 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.083 176.094 -0.018 0.000 1.182 3 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 3 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 4 N N 3.271 121.960 118.700 -0.019 0.000 2.599 4 N HA 0.298 5.059 4.740 0.035 0.000 0.283 4 N C -0.067 175.432 175.510 -0.018 0.000 1.160 4 N CA 0.039 53.077 53.050 -0.020 0.000 0.869 4 N CB 2.307 40.779 38.487 -0.024 0.000 1.448 4 N HN 0.600 nan 8.380 nan 0.000 0.535 5 V N 1.611 121.519 119.914 -0.011 0.000 3.596 5 V HA 0.247 4.388 4.120 0.035 0.000 0.289 5 V C 1.939 178.038 176.094 0.007 0.000 1.336 5 V CA 0.336 62.633 62.300 -0.006 0.000 1.137 5 V CB -0.207 31.613 31.823 -0.004 0.000 0.966 5 V HN 0.556 nan 8.190 nan 0.000 0.428 6 K N 1.966 122.366 120.400 0.001 0.000 2.074 6 K HA -0.123 4.218 4.320 0.035 0.000 0.209 6 K C 1.996 178.600 176.600 0.007 0.000 1.048 6 K CA 2.046 58.334 56.287 0.002 0.000 0.926 6 K CB -0.772 31.706 32.500 -0.036 0.000 0.713 6 K HN 0.589 nan 8.250 nan 0.000 0.444 7 G N 0.703 109.498 108.800 -0.009 0.000 2.535 7 G HA2 -0.198 3.783 3.960 0.035 0.000 0.218 7 G HA3 -0.198 3.783 3.960 0.035 0.000 0.218 7 G C 1.028 175.935 174.900 0.012 0.000 1.122 7 G CA 0.461 45.556 45.100 -0.009 0.000 0.769 7 G HN 0.381 nan 8.290 nan 0.000 0.549 8 N N -0.664 118.052 118.700 0.026 0.000 2.424 8 N HA -0.017 4.744 4.740 0.035 0.000 0.178 8 N C 0.131 175.686 175.510 0.074 0.000 1.060 8 N CA -0.213 52.854 53.050 0.028 0.000 0.901 8 N CB 0.125 38.615 38.487 0.005 0.000 0.979 8 N HN 0.393 nan 8.380 nan 0.000 0.451 9 Y N 2.276 122.548 120.300 -0.048 0.000 2.721 9 Y HA 0.001 4.572 4.550 0.035 0.000 0.329 9 Y C -0.159 175.722 175.900 -0.031 0.000 1.211 9 Y CA 0.059 58.132 58.100 -0.046 0.000 1.512 9 Y CB 0.427 38.825 38.460 -0.103 0.000 1.249 9 Y HN -0.301 nan 8.280 nan 0.000 0.549 10 V N 7.377 127.305 119.914 0.024 0.000 2.384 10 V HA 0.222 4.363 4.120 0.035 0.000 0.287 10 V C -0.326 175.799 176.094 0.052 0.000 1.020 10 V CA -1.108 61.233 62.300 0.068 0.000 0.850 10 V CB 1.419 33.264 31.823 0.037 0.000 0.987 10 V HN 0.707 nan 8.190 nan 0.000 0.436 11 Q N 2.484 122.394 119.800 0.183 0.000 2.364 11 Q HA 0.381 4.742 4.340 0.035 0.000 0.267 11 Q C -0.794 175.335 176.000 0.214 0.000 0.999 11 Q CA -0.043 55.892 55.803 0.220 0.000 0.886 11 Q CB 1.528 30.418 28.738 0.254 0.000 1.243 11 Q HN 0.569 nan 8.270 nan 0.000 0.415 12 V N 3.565 123.549 119.914 0.116 0.000 2.407 12 V HA 0.318 4.459 4.120 0.035 0.000 0.291 12 V C -1.121 175.011 176.094 0.063 0.000 1.018 12 V CA -0.686 61.713 62.300 0.166 0.000 0.842 12 V CB 0.503 32.285 31.823 -0.067 0.000 0.996 12 V HN 0.600 nan 8.190 nan 0.000 0.426 13 Y N 2.971 123.400 120.300 0.216 0.000 2.496 13 Y HA 0.740 5.311 4.550 0.036 0.000 0.331 13 Y C 0.111 176.156 175.900 0.242 0.000 1.140 13 Y CA -0.932 57.273 58.100 0.174 0.000 1.166 13 Y CB 2.110 40.624 38.460 0.090 0.000 1.249 13 Y HN 0.340 nan 8.280 nan 0.000 0.479 14 V N 3.453 123.579 119.914 0.353 0.000 2.531 14 V HA 0.329 4.470 4.120 0.035 0.000 0.301 14 V C -0.264 175.969 176.094 0.232 0.000 1.034 14 V CA -1.185 61.311 62.300 0.327 0.000 0.865 14 V CB 1.600 33.587 31.823 0.274 0.000 0.995 14 V HN 0.721 nan 8.190 nan 0.000 0.424 15 M N 4.982 124.697 119.600 0.190 0.000 2.238 15 M HA 0.318 4.819 4.480 0.035 0.000 0.350 15 M C -0.182 176.202 176.300 0.139 0.000 1.321 15 M CA 0.232 55.607 55.300 0.125 0.000 1.097 15 M CB 0.331 32.975 32.600 0.074 0.000 1.713 15 M HN 0.444 nan 8.290 nan 0.000 0.455 16 L N 3.715 125.018 121.223 0.134 0.000 2.475 16 L HA 0.313 4.674 4.340 0.035 0.000 0.253 16 L C -1.982 174.979 176.870 0.151 0.000 1.198 16 L CA -1.945 52.982 54.840 0.146 0.000 0.814 16 L CB -0.145 42.011 42.059 0.161 0.000 1.134 16 L HN 0.347 nan 8.230 nan 0.000 0.478 17 P HA 0.019 nan 4.420 nan 0.000 0.268 17 P C 0.697 178.119 177.300 0.202 0.000 1.208 17 P CA -0.025 63.165 63.100 0.151 0.000 0.777 17 P CB 0.511 32.288 31.700 0.127 0.000 0.875 18 L N 1.278 122.629 121.223 0.213 0.000 2.127 18 L HA -0.167 4.195 4.340 0.035 0.000 0.211 18 L C 1.201 178.294 176.870 0.372 0.000 1.089 18 L CA 1.605 56.639 54.840 0.324 0.000 0.757 18 L CB -0.632 41.580 42.059 0.254 0.000 0.899 18 L HN 0.495 nan 8.230 nan 0.000 0.434 19 D N -0.682 119.849 120.400 0.218 0.000 2.895 19 D HA 0.156 4.817 4.640 0.035 0.000 0.258 19 D C 1.373 177.776 176.300 0.172 0.000 1.311 19 D CA 0.353 54.458 54.000 0.175 0.000 0.843 19 D CB 0.380 41.223 40.800 0.072 0.000 1.055 19 D HN 0.074 nan 8.370 nan 0.000 0.486 20 A N -0.051 122.904 122.820 0.225 0.000 1.927 20 A HA -0.077 4.264 4.320 0.035 0.000 0.220 20 A C 1.121 178.857 177.584 0.254 0.000 1.185 20 A CA 0.937 53.116 52.037 0.238 0.000 0.639 20 A CB -0.238 18.913 19.000 0.253 0.000 0.820 20 A HN 0.291 nan 8.150 nan 0.000 0.451 21 V N 0.794 120.811 119.914 0.172 0.000 2.472 21 V HA 0.398 4.539 4.120 0.035 0.000 0.290 21 V C 0.760 176.912 176.094 0.096 0.000 1.037 21 V CA -0.214 62.130 62.300 0.073 0.000 0.908 21 V CB 1.420 33.071 31.823 -0.287 0.000 0.985 21 V HN 0.590 nan 8.190 nan 0.000 0.454 22 S N 3.731 119.467 115.700 0.059 0.000 2.580 22 S HA 0.089 4.580 4.470 0.035 0.000 0.266 22 S C 1.375 175.986 174.600 0.019 0.000 1.354 22 S CA 0.082 58.300 58.200 0.029 0.000 1.008 22 S CB 1.300 64.504 63.200 0.007 0.000 0.898 22 S HN 1.280 nan 8.310 nan 0.000 0.555 23 V N -0.354 119.551 119.914 -0.015 0.000 3.026 23 V HA -0.064 4.077 4.120 0.035 0.000 0.265 23 V C 1.115 177.198 176.094 -0.018 0.000 1.121 23 V CA 1.543 63.817 62.300 -0.044 0.000 1.142 23 V CB -1.228 30.554 31.823 -0.068 0.000 0.730 23 V HN 0.823 nan 8.190 nan 0.000 0.503 24 N N 1.228 119.928 118.700 0.000 0.000 2.268 24 N HA 0.067 4.828 4.740 0.035 0.000 0.204 24 N C 0.570 176.098 175.510 0.030 0.000 1.124 24 N CA 0.632 53.688 53.050 0.010 0.000 0.838 24 N CB -0.128 38.363 38.487 0.005 0.000 0.994 24 N HN 0.663 nan 8.380 nan 0.000 0.489 25 N N 1.419 120.147 118.700 0.046 0.000 2.758 25 N HA -0.178 4.583 4.740 0.035 0.000 0.248 25 N C -1.232 174.307 175.510 0.048 0.000 1.076 25 N CA 0.597 53.685 53.050 0.064 0.000 0.696 25 N CB -0.626 37.913 38.487 0.087 0.000 0.979 25 N HN 0.247 nan 8.380 nan 0.000 0.550 26 R N 0.263 120.789 120.500 0.043 0.000 2.750 26 R HA 0.391 4.753 4.340 0.035 0.000 0.281 26 R C -0.785 175.577 176.300 0.103 0.000 0.972 26 R CA -0.696 55.440 56.100 0.061 0.000 0.912 26 R CB 0.722 31.044 30.300 0.036 0.000 1.187 26 R HN 0.162 nan 8.270 nan 0.000 0.464 27 F N 2.291 122.210 119.950 -0.052 0.000 2.335 27 F HA 0.241 4.789 4.527 0.035 0.000 0.365 27 F C 0.593 176.380 175.800 -0.022 0.000 1.122 27 F CA -0.367 57.601 58.000 -0.053 0.000 1.151 27 F CB 0.512 39.478 39.000 -0.057 0.000 1.282 27 F HN 0.573 nan 8.300 nan 0.000 0.513 28 E N 3.186 123.167 120.200 -0.366 0.000 2.562 28 E HA 0.101 4.472 4.350 0.035 0.000 0.214 28 E C 0.351 176.728 176.600 -0.373 0.000 0.979 28 E CA 0.122 56.344 56.400 -0.296 0.000 1.002 28 E CB 0.509 30.128 29.700 -0.134 0.000 1.048 28 E HN 0.525 nan 8.360 nan 0.000 0.488 29 K N 0.151 120.201 120.400 -0.584 0.000 2.896 29 K HA 0.181 4.522 4.320 0.035 0.000 0.210 29 K C 1.126 177.460 176.600 -0.445 0.000 1.116 29 K CA -0.200 55.862 56.287 -0.376 0.000 1.050 29 K CB 1.189 33.577 32.500 -0.186 0.000 0.812 29 K HN 0.057 nan 8.250 nan 0.000 0.462 30 G N 1.394 109.789 108.800 -0.675 0.000 2.422 30 G HA2 -0.238 3.743 3.960 0.035 0.000 0.218 30 G HA3 -0.238 3.743 3.960 0.035 0.000 0.218 30 G C 1.017 175.879 174.900 -0.063 0.000 1.146 30 G CA 0.886 45.772 45.100 -0.356 0.000 0.769 30 G HN 0.266 nan 8.290 nan 0.000 0.547 31 D N 0.133 120.483 120.400 -0.084 0.000 2.149 31 D HA -0.065 4.596 4.640 0.035 0.000 0.201 31 D C 2.184 178.473 176.300 -0.019 0.000 0.972 31 D CA 0.994 54.978 54.000 -0.027 0.000 0.835 31 D CB -0.057 40.722 40.800 -0.034 0.000 0.966 31 D HN 0.518 nan 8.370 nan 0.000 0.476 32 E N 0.520 120.696 120.200 -0.040 0.000 2.072 32 E HA -0.161 4.210 4.350 0.035 0.000 0.191 32 E C 2.174 178.776 176.600 0.004 0.000 0.985 32 E CA 0.432 56.818 56.400 -0.024 0.000 0.801 32 E CB 0.023 29.702 29.700 -0.036 0.000 0.750 32 E HN 0.020 nan 8.360 nan 0.000 0.452 33 L N 1.426 122.662 121.223 0.022 0.000 2.056 33 L HA -0.116 4.245 4.340 0.035 0.000 0.207 33 L C 2.507 179.426 176.870 0.081 0.000 1.078 33 L CA 1.773 56.660 54.840 0.078 0.000 0.749 33 L CB -0.521 41.635 42.059 0.161 0.000 0.901 33 L HN 0.043 nan 8.230 nan 0.000 0.433 34 R N -0.629 119.920 120.500 0.082 0.000 2.103 34 R HA -0.211 4.151 4.340 0.035 0.000 0.242 34 R C 2.145 178.470 176.300 0.041 0.000 1.142 34 R CA 1.574 57.716 56.100 0.071 0.000 0.960 34 R CB -0.408 29.932 30.300 0.067 0.000 0.858 34 R HN 0.515 nan 8.270 nan 0.000 0.439 35 A N 0.544 123.377 122.820 0.022 0.000 1.902 35 A HA -0.215 4.126 4.320 0.035 0.000 0.217 35 A C 2.042 179.621 177.584 -0.009 0.000 1.181 35 A CA 1.504 53.541 52.037 0.000 0.000 0.623 35 A CB -0.424 18.568 19.000 -0.013 0.000 0.818 35 A HN 0.508 nan 8.150 nan 0.000 0.443 36 Q N -0.459 119.342 119.800 0.002 0.000 2.119 36 Q HA -0.012 4.350 4.340 0.035 0.000 0.201 36 Q C 2.030 178.042 176.000 0.020 0.000 0.972 36 Q CA 1.215 57.016 55.803 -0.002 0.000 0.847 36 Q CB -0.292 28.457 28.738 0.017 0.000 0.903 36 Q HN 0.670 nan 8.270 nan 0.000 0.433 37 L N 0.226 121.476 121.223 0.045 0.000 2.131 37 L HA -0.182 4.179 4.340 0.035 0.000 0.210 37 L C 2.412 179.314 176.870 0.054 0.000 1.092 37 L CA 1.072 55.948 54.840 0.060 0.000 0.759 37 L CB -0.391 41.711 42.059 0.071 0.000 0.903 37 L HN 0.198 nan 8.230 nan 0.000 0.435 38 R N 0.032 120.553 120.500 0.036 0.000 2.091 38 R HA -0.147 4.215 4.340 0.035 0.000 0.238 38 R C 2.313 178.636 176.300 0.037 0.000 1.136 38 R CA 1.046 57.165 56.100 0.031 0.000 0.959 38 R CB -0.169 30.139 30.300 0.013 0.000 0.856 38 R HN 0.240 nan 8.270 nan 0.000 0.437 39 K N 0.780 121.182 120.400 0.003 0.000 2.097 39 K HA -0.087 4.254 4.320 0.035 0.000 0.206 39 K C 2.121 178.842 176.600 0.201 0.000 1.049 39 K CA 1.067 57.347 56.287 -0.012 0.000 0.933 39 K CB -0.275 32.093 32.500 -0.219 0.000 0.717 39 K HN 0.263 nan 8.250 nan 0.000 0.442 40 L N 0.474 121.792 121.223 0.158 0.000 2.056 40 L HA -0.125 4.237 4.340 0.035 0.000 0.207 40 L C 2.405 179.381 176.870 0.176 0.000 1.078 40 L CA 0.696 55.663 54.840 0.211 0.000 0.749 40 L CB -0.573 41.576 42.059 0.149 0.000 0.901 40 L HN -0.131 nan 8.230 nan 0.000 0.433 41 V N 0.158 120.144 119.914 0.119 0.000 2.343 41 V HA -0.291 3.850 4.120 0.035 0.000 0.247 41 V C 2.497 178.649 176.094 0.098 0.000 1.051 41 V CA 1.959 64.312 62.300 0.088 0.000 1.036 41 V CB -0.517 31.343 31.823 0.062 0.000 0.654 41 V HN 0.531 nan 8.190 nan 0.000 0.451 42 E N 0.532 120.808 120.200 0.126 0.000 2.160 42 E HA -0.231 4.140 4.350 0.035 0.000 0.195 42 E C 1.982 178.668 176.600 0.144 0.000 0.991 42 E CA 1.426 57.911 56.400 0.142 0.000 0.810 42 E CB -0.142 29.668 29.700 0.182 0.000 0.742 42 E HN 0.595 nan 8.360 nan 0.000 0.466 43 A N -0.167 122.759 122.820 0.176 0.000 2.218 43 A HA 0.263 4.604 4.320 0.035 0.000 0.209 43 A C 1.681 179.249 177.584 -0.027 0.000 1.168 43 A CA 0.890 52.957 52.037 0.050 0.000 0.804 43 A CB -0.148 18.935 19.000 0.137 0.000 0.834 43 A HN 0.473 nan 8.150 nan 0.000 0.482 44 G N -1.170 107.652 108.800 0.037 0.000 2.132 44 G HA2 -0.189 3.792 3.960 0.035 0.000 0.234 44 G HA3 -0.189 3.792 3.960 0.035 0.000 0.234 44 G C 0.201 175.150 174.900 0.082 0.000 0.989 44 G CA 0.041 45.172 45.100 0.051 0.000 0.676 44 G HN 0.746 nan 8.290 nan 0.000 0.522 45 V N 1.169 121.114 119.914 0.051 0.000 2.694 45 V HA 0.055 4.196 4.120 0.035 0.000 0.306 45 V C 1.592 177.676 176.094 -0.018 0.000 1.054 45 V CA 0.985 63.305 62.300 0.033 0.000 1.161 45 V CB 0.939 32.833 31.823 0.119 0.000 0.916 45 V HN 0.405 nan 8.190 nan 0.000 0.490 46 D N 2.759 123.081 120.400 -0.130 0.000 2.183 46 D HA 0.127 4.789 4.640 0.035 0.000 0.203 46 D C 0.748 176.807 176.300 -0.403 0.000 0.969 46 D CA 1.482 55.325 54.000 -0.262 0.000 0.842 46 D CB 0.662 41.244 40.800 -0.363 0.000 0.957 46 D HN 0.763 nan 8.370 nan 0.000 0.484 47 G N -0.316 108.160 108.800 -0.541 0.000 2.430 47 G HA2 0.419 4.400 3.960 0.035 0.000 0.300 47 G HA3 0.419 4.400 3.960 0.035 0.000 0.300 47 G C -1.370 173.581 174.900 0.086 0.000 1.330 47 G CA -0.212 44.751 45.100 -0.229 0.000 0.813 47 G HN 0.076 nan 8.290 nan 0.000 0.487 48 V N -2.558 117.510 119.914 0.257 0.000 3.126 48 V HA 0.929 5.070 4.120 0.035 0.000 0.314 48 V C -0.176 176.050 176.094 0.220 0.000 1.138 48 V CA -1.069 61.372 62.300 0.235 0.000 1.034 48 V CB 1.991 33.896 31.823 0.135 0.000 1.075 48 V HN 1.163 nan 8.190 nan 0.000 0.442 49 M N 2.538 122.222 119.600 0.140 0.000 2.465 49 M HA 0.862 5.363 4.480 0.035 0.000 0.316 49 M C -2.062 174.263 176.300 0.042 0.000 1.121 49 M CA -0.710 54.612 55.300 0.036 0.000 0.934 49 M CB 2.077 34.674 32.600 -0.005 0.000 1.692 49 M HN 0.826 nan 8.290 nan 0.000 0.444 50 V N 3.876 123.797 119.914 0.011 0.000 2.851 50 V HA 0.386 4.527 4.120 0.035 0.000 0.307 50 V C -1.244 174.815 176.094 -0.058 0.000 1.129 50 V CA -0.691 61.643 62.300 0.056 0.000 0.932 50 V CB 2.478 34.415 31.823 0.189 0.000 1.024 50 V HN 0.931 nan 8.190 nan 0.000 0.426 51 D N 3.962 124.257 120.400 -0.176 0.000 2.450 51 D HA 0.172 4.833 4.640 0.035 0.000 0.247 51 D C -0.285 175.709 176.300 -0.510 0.000 1.162 51 D CA 0.421 54.058 54.000 -0.605 0.000 0.879 51 D CB 1.764 41.807 40.800 -1.262 0.000 1.163 51 D HN 0.325 nan 8.370 nan 0.000 0.472 52 V N 4.297 123.887 119.914 -0.540 0.000 2.259 52 V HA 0.112 4.254 4.120 0.035 0.000 0.267 52 V C -0.226 175.689 176.094 -0.298 0.000 1.051 52 V CA -0.893 61.090 62.300 -0.530 0.000 0.830 52 V CB -0.177 31.386 31.823 -0.435 0.000 1.080 52 V HN 0.437 nan 8.190 nan 0.000 0.467 53 W N 3.577 124.930 121.300 0.089 0.000 2.446 53 W HA 0.155 4.836 4.660 0.035 0.000 0.316 53 W C 1.036 177.668 176.519 0.189 0.000 1.376 53 W CA -0.297 57.106 57.345 0.097 0.000 1.300 53 W CB 0.446 29.990 29.460 0.140 0.000 1.351 53 W HN 0.744 nan 8.180 nan 0.000 0.530 54 W N 3.249 124.588 121.300 0.065 0.000 2.321 54 W HA -0.208 4.473 4.660 0.034 0.000 0.306 54 W C 1.964 178.563 176.519 0.133 0.000 1.217 54 W CA 2.414 59.734 57.345 -0.042 0.000 1.257 54 W CB -0.944 28.418 29.460 -0.164 0.000 1.145 54 W HN 0.431 nan 8.180 nan 0.000 0.509 55 G N 0.283 109.164 108.800 0.135 0.000 2.448 55 G HA2 -0.219 3.763 3.960 0.035 0.000 0.219 55 G HA3 -0.219 3.763 3.960 0.035 0.000 0.219 55 G C 1.615 176.543 174.900 0.045 0.000 1.127 55 G CA 1.170 46.231 45.100 -0.065 0.000 0.766 55 G HN 0.347 nan 8.290 nan 0.000 0.552 56 L N -0.196 121.146 121.223 0.198 0.000 2.102 56 L HA 0.027 4.388 4.340 0.035 0.000 0.202 56 L C 2.891 179.873 176.870 0.187 0.000 1.076 56 L CA 0.355 55.318 54.840 0.205 0.000 0.761 56 L CB -0.443 41.823 42.059 0.344 0.000 0.921 56 L HN 0.071 nan 8.230 nan 0.000 0.444 57 V N -0.557 119.498 119.914 0.235 0.000 2.407 57 V HA -0.176 3.966 4.120 0.035 0.000 0.245 57 V C 1.671 177.843 176.094 0.130 0.000 1.041 57 V CA 1.356 63.695 62.300 0.064 0.000 1.040 57 V CB -0.202 31.504 31.823 -0.195 0.000 0.671 57 V HN 0.382 nan 8.190 nan 0.000 0.455 58 E N -0.094 120.304 120.200 0.329 0.000 2.511 58 E HA 0.200 4.571 4.350 0.035 0.000 0.214 58 E C 1.736 178.495 176.600 0.265 0.000 1.062 58 E CA 0.248 56.856 56.400 0.347 0.000 1.213 58 E CB 0.294 30.409 29.700 0.692 0.000 1.214 58 E HN 0.515 nan 8.360 nan 0.000 0.441 59 G N 1.150 110.037 108.800 0.146 0.000 2.408 59 G HA2 -0.273 3.708 3.960 0.035 0.000 0.217 59 G HA3 -0.273 3.708 3.960 0.035 0.000 0.217 59 G C 1.481 176.499 174.900 0.196 0.000 1.150 59 G CA 0.513 45.684 45.100 0.119 0.000 0.776 59 G HN 0.215 nan 8.290 nan 0.000 0.542 60 K N -0.075 120.392 120.400 0.111 0.000 2.057 60 K HA 0.176 4.517 4.320 0.035 0.000 0.207 60 K C 1.043 177.619 176.600 -0.039 0.000 1.049 60 K CA 1.127 57.435 56.287 0.035 0.000 0.931 60 K CB -0.158 32.326 32.500 -0.027 0.000 0.714 60 K HN 0.404 nan 8.250 nan 0.000 0.440 61 G N -0.472 108.201 108.800 -0.211 0.000 2.316 61 G HA2 0.162 4.143 3.960 0.035 0.000 0.296 61 G HA3 0.162 4.143 3.960 0.035 0.000 0.296 61 G C -3.142 171.177 174.900 -0.968 0.000 1.399 61 G CA -1.179 43.431 45.100 -0.816 0.000 0.833 61 G HN -0.161 nan 8.290 nan 0.000 0.565 62 P HA 0.221 nan 4.420 nan 0.000 0.263 62 P C 0.098 177.116 177.300 -0.469 0.000 1.195 62 P CA 0.447 63.018 63.100 -0.882 0.000 0.762 62 P CB 0.440 31.677 31.700 -0.771 0.000 0.799 63 K N 0.849 120.986 120.400 -0.438 0.000 3.349 63 K HA -0.221 4.121 4.320 0.035 0.000 0.310 63 K C 0.304 176.501 176.600 -0.672 0.000 1.267 63 K CA 0.990 56.870 56.287 -0.679 0.000 0.920 63 K CB -2.128 30.245 32.500 -0.211 0.000 1.240 63 K HN 0.581 nan 8.250 nan 0.000 0.453 64 A N 1.234 123.748 122.820 -0.509 0.000 3.118 64 A HA 0.297 4.638 4.320 0.035 0.000 0.256 64 A C -0.421 177.043 177.584 -0.200 0.000 1.667 64 A CA -0.273 51.601 52.037 -0.272 0.000 1.338 64 A CB -0.523 18.363 19.000 -0.189 0.000 1.127 64 A HN 0.237 nan 8.150 nan 0.000 0.634 65 Y N 0.430 120.731 120.300 0.002 0.000 2.465 65 Y HA 0.274 4.845 4.550 0.035 0.000 0.331 65 Y C 0.600 176.351 175.900 -0.249 0.000 1.102 65 Y CA -0.356 57.638 58.100 -0.177 0.000 1.358 65 Y CB 0.527 38.893 38.460 -0.157 0.000 1.213 65 Y HN 0.446 nan 8.280 nan 0.000 0.525 66 D N 3.360 123.645 120.400 -0.192 0.000 2.464 66 D HA 0.143 4.805 4.640 0.035 0.000 0.243 66 D C -0.699 175.525 176.300 -0.126 0.000 1.104 66 D CA -0.691 53.259 54.000 -0.084 0.000 0.883 66 D CB 0.099 40.897 40.800 -0.003 0.000 1.050 66 D HN 0.600 nan 8.370 nan 0.000 0.524 67 W N 2.249 123.635 121.300 0.143 0.000 3.290 67 W HA 0.088 4.769 4.660 0.035 0.000 0.287 67 W C 2.107 178.666 176.519 0.066 0.000 1.288 67 W CA -0.400 57.007 57.345 0.102 0.000 1.725 67 W CB 0.335 29.806 29.460 0.018 0.000 1.103 67 W HN 0.266 nan 8.180 nan 0.000 0.670 68 S N 1.257 117.095 115.700 0.230 0.000 2.359 68 S HA -0.301 4.190 4.470 0.035 0.000 0.223 68 S C 2.136 176.789 174.600 0.088 0.000 1.039 68 S CA 1.920 60.207 58.200 0.145 0.000 1.042 68 S CB -0.805 62.461 63.200 0.109 0.000 0.915 68 S HN 0.350 nan 8.310 nan 0.000 0.439 69 A N 0.318 123.175 122.820 0.062 0.000 1.898 69 A HA -0.056 4.286 4.320 0.035 0.000 0.216 69 A C 1.946 179.381 177.584 -0.249 0.000 1.181 69 A CA 1.374 53.385 52.037 -0.044 0.000 0.620 69 A CB -0.988 17.975 19.000 -0.061 0.000 0.819 69 A HN 0.532 nan 8.150 nan 0.000 0.442 70 Y N 0.476 120.708 120.300 -0.115 0.000 2.181 70 Y HA -0.188 4.383 4.550 0.035 0.000 0.288 70 Y C 2.442 177.936 175.900 -0.678 0.000 1.146 70 Y CA 1.901 59.759 58.100 -0.403 0.000 1.164 70 Y CB -0.147 38.120 38.460 -0.320 0.000 0.982 70 Y HN 0.240 nan 8.280 nan 0.000 0.515 71 K N -0.027 120.247 120.400 -0.209 0.000 2.097 71 K HA -0.239 4.103 4.320 0.035 0.000 0.206 71 K C 2.007 178.549 176.600 -0.098 0.000 1.049 71 K CA 1.681 57.898 56.287 -0.116 0.000 0.933 71 K CB -0.277 32.283 32.500 0.101 0.000 0.717 71 K HN 0.489 nan 8.250 nan 0.000 0.442 72 Q N 0.602 120.313 119.800 -0.149 0.000 2.084 72 Q HA -0.130 4.232 4.340 0.035 0.000 0.202 72 Q C 2.157 177.875 176.000 -0.471 0.000 0.978 72 Q CA 0.938 56.634 55.803 -0.179 0.000 0.844 72 Q CB -0.117 28.579 28.738 -0.071 0.000 0.898 72 Q HN 0.233 nan 8.270 nan 0.000 0.426 73 L N 0.122 120.845 121.223 -0.834 0.000 2.012 73 L HA -0.176 4.185 4.340 0.035 0.000 0.210 73 L C 2.005 178.768 176.870 -0.178 0.000 1.073 73 L CA 1.936 56.289 54.840 -0.811 0.000 0.748 73 L CB -0.727 40.952 42.059 -0.633 0.000 0.891 73 L HN 0.205 nan 8.230 nan 0.000 0.431 74 F N 0.869 120.555 119.950 -0.440 0.000 2.186 74 F HA -0.155 4.393 4.527 0.035 0.000 0.299 74 F C 2.735 178.237 175.800 -0.496 0.000 1.090 74 F CA 1.156 58.779 58.000 -0.629 0.000 1.307 74 F CB -1.001 37.233 39.000 -1.277 0.000 1.019 74 F HN 0.320 nan 8.300 nan 0.000 0.489 75 E N 0.318 120.494 120.200 -0.040 0.000 2.085 75 E HA -0.242 4.129 4.350 0.035 0.000 0.194 75 E C 2.285 178.950 176.600 0.108 0.000 0.994 75 E CA 1.009 57.531 56.400 0.203 0.000 0.801 75 E CB -0.277 29.566 29.700 0.238 0.000 0.743 75 E HN 0.270 nan 8.360 nan 0.000 0.453 76 L N 0.357 121.607 121.223 0.045 0.000 2.046 76 L HA -0.165 4.196 4.340 0.035 0.000 0.208 76 L C 2.331 179.240 176.870 0.065 0.000 1.077 76 L CA 1.290 56.176 54.840 0.077 0.000 0.747 76 L CB -0.373 41.757 42.059 0.119 0.000 0.896 76 L HN 0.054 nan 8.230 nan 0.000 0.432 77 V N -0.580 119.351 119.914 0.028 0.000 2.343 77 V HA -0.344 3.797 4.120 0.035 0.000 0.247 77 V C 2.517 178.625 176.094 0.023 0.000 1.051 77 V CA 2.031 64.341 62.300 0.016 0.000 1.036 77 V CB -0.675 31.125 31.823 -0.038 0.000 0.654 77 V HN 0.639 nan 8.190 nan 0.000 0.451 78 Q N 0.173 119.997 119.800 0.039 0.000 2.084 78 Q HA -0.253 4.109 4.340 0.035 0.000 0.202 78 Q C 2.233 178.277 176.000 0.074 0.000 0.978 78 Q CA 1.803 57.656 55.803 0.083 0.000 0.844 78 Q CB -0.092 28.763 28.738 0.195 0.000 0.898 78 Q HN 0.567 nan 8.270 nan 0.000 0.426 79 K N -0.550 119.898 120.400 0.081 0.000 2.362 79 K HA -0.033 4.308 4.320 0.035 0.000 0.200 79 K C 1.526 178.158 176.600 0.053 0.000 1.046 79 K CA 0.697 57.025 56.287 0.068 0.000 0.952 79 K CB 0.129 32.675 32.500 0.077 0.000 0.753 79 K HN 0.219 nan 8.250 nan 0.000 0.466 80 A N 0.290 123.140 122.820 0.051 0.000 2.251 80 A HA 0.204 4.545 4.320 0.035 0.000 0.209 80 A C 1.315 178.917 177.584 0.031 0.000 1.187 80 A CA 0.659 52.722 52.037 0.044 0.000 0.823 80 A CB -0.142 18.889 19.000 0.051 0.000 0.846 80 A HN 0.350 nan 8.150 nan 0.000 0.486 81 G N -1.043 107.772 108.800 0.024 0.000 2.147 81 G HA2 -0.216 3.765 3.960 0.035 0.000 0.244 81 G HA3 -0.216 3.765 3.960 0.035 0.000 0.244 81 G C -0.000 174.897 174.900 -0.005 0.000 1.005 81 G CA 0.503 45.606 45.100 0.005 0.000 0.713 81 G HN 0.447 nan 8.290 nan 0.000 0.515 82 L N -0.375 120.850 121.223 0.004 0.000 2.334 82 L HA 0.552 4.913 4.340 0.035 0.000 0.275 82 L C 0.972 177.841 176.870 -0.002 0.000 1.036 82 L CA -1.015 53.822 54.840 -0.004 0.000 0.807 82 L CB 1.288 43.355 42.059 0.014 0.000 1.231 82 L HN 0.036 nan 8.230 nan 0.000 0.438 83 K N 1.766 122.171 120.400 0.008 0.000 2.117 83 K HA 0.621 4.962 4.320 0.035 0.000 0.240 83 K C -1.013 175.656 176.600 0.116 0.000 1.031 83 K CA -0.530 55.800 56.287 0.072 0.000 0.909 83 K CB 1.120 33.714 32.500 0.156 0.000 1.097 83 K HN 0.325 nan 8.250 nan 0.000 0.492 84 L N 0.932 122.199 121.223 0.073 0.000 2.464 84 L HA 0.222 4.583 4.340 0.035 0.000 0.266 84 L C -1.582 175.230 176.870 -0.098 0.000 0.965 84 L CA -0.381 54.433 54.840 -0.043 0.000 0.833 84 L CB 1.966 43.853 42.059 -0.287 0.000 1.296 84 L HN 0.558 nan 8.230 nan 0.000 0.405 85 Q N 4.009 123.736 119.800 -0.122 0.000 2.325 85 Q HA 0.687 5.048 4.340 0.035 0.000 0.262 85 Q C -0.683 175.207 176.000 -0.183 0.000 0.968 85 Q CA -0.609 55.070 55.803 -0.207 0.000 0.877 85 Q CB 2.149 30.705 28.738 -0.304 0.000 1.253 85 Q HN 0.666 nan 8.270 nan 0.000 0.448 86 A N 4.248 126.943 122.820 -0.208 0.000 2.258 86 A HA 0.541 4.882 4.320 0.035 0.000 0.316 86 A C -0.408 177.004 177.584 -0.287 0.000 1.279 86 A CA -0.635 51.280 52.037 -0.202 0.000 0.876 86 A CB 0.299 19.218 19.000 -0.136 0.000 1.170 86 A HN 0.778 nan 8.150 nan 0.000 0.520 87 I N 3.523 123.930 120.570 -0.272 0.000 2.342 87 I HA 0.172 4.364 4.170 0.035 0.000 0.291 87 I C 0.011 175.884 176.117 -0.406 0.000 1.010 87 I CA -0.354 60.762 61.300 -0.306 0.000 1.308 87 I CB 1.256 39.095 38.000 -0.268 0.000 1.400 87 I HN 0.501 nan 8.210 nan 0.000 0.488 88 M N 5.292 124.634 119.600 -0.430 0.000 2.383 88 M HA 0.145 4.646 4.480 0.035 0.000 0.337 88 M C -0.100 175.734 176.300 -0.776 0.000 1.422 88 M CA 0.308 55.239 55.300 -0.616 0.000 1.333 88 M CB -0.230 32.066 32.600 -0.507 0.000 1.488 88 M HN 0.413 nan 8.290 nan 0.000 0.454 89 S N 3.640 118.917 115.700 -0.705 0.000 2.835 89 S HA 0.341 4.833 4.470 0.035 0.000 0.286 89 S C 0.260 174.659 174.600 -0.336 0.000 1.194 89 S CA -0.457 57.458 58.200 -0.475 0.000 1.031 89 S CB -0.389 62.290 63.200 -0.869 0.000 1.216 89 S HN 0.398 nan 8.310 nan 0.000 0.502 90 F N 3.708 123.699 119.950 0.068 0.000 2.757 90 F HA 0.185 4.732 4.527 0.035 0.000 0.292 90 F C 1.467 177.571 175.800 0.507 0.000 1.204 90 F CA -0.474 57.576 58.000 0.083 0.000 1.417 90 F CB -0.402 38.316 39.000 -0.469 0.000 1.001 90 F HN 0.558 nan 8.300 nan 0.000 0.508 91 H N -1.801 117.603 119.070 0.557 0.000 2.949 91 H HA 0.387 4.964 4.556 0.035 0.000 0.356 91 H C -0.912 174.696 175.328 0.467 0.000 1.212 91 H CA -1.226 55.146 56.048 0.541 0.000 1.136 91 H CB 0.959 30.983 29.762 0.436 0.000 1.869 91 H HN 0.136 nan 8.280 nan 0.000 0.556 92 Q N 0.754 120.780 119.800 0.376 0.000 2.327 92 Q HA 0.311 4.672 4.340 0.035 0.000 0.254 92 Q C -0.816 175.242 176.000 0.097 0.000 0.952 92 Q CA -0.542 55.340 55.803 0.132 0.000 0.884 92 Q CB 0.864 29.665 28.738 0.105 0.000 1.224 92 Q HN 0.595 nan 8.270 nan 0.000 0.422 93 C N 3.976 123.091 119.300 -0.309 0.000 2.347 93 C HA 0.874 5.355 4.460 0.035 0.000 0.353 93 C C 0.166 175.052 174.990 -0.173 0.000 1.273 93 C CA 1.069 59.868 59.018 -0.365 0.000 1.861 93 C CB -0.940 26.120 27.740 -1.134 0.000 2.420 93 C HN 0.987 nan 8.230 nan 0.000 0.542 94 G N 3.749 112.528 108.800 -0.035 0.000 2.841 94 G HA2 0.472 4.453 3.960 0.035 0.000 0.684 94 G HA3 0.472 4.453 3.960 0.035 0.000 0.684 94 G C 0.411 175.327 174.900 0.026 0.000 1.273 94 G CA 0.222 45.311 45.100 -0.017 0.000 0.811 94 G HN 2.398 nan 8.290 nan 0.000 0.631 95 G N 0.521 109.334 108.800 0.023 0.000 2.194 95 G HA2 -0.199 3.782 3.960 0.035 0.000 0.236 95 G HA3 -0.199 3.782 3.960 0.035 0.000 0.236 95 G C 0.167 175.088 174.900 0.035 0.000 0.987 95 G CA 0.694 45.812 45.100 0.029 0.000 0.635 95 G HN 1.326 nan 8.290 nan 0.000 0.520 96 N N -0.248 118.480 118.700 0.047 0.000 2.335 96 N HA 0.448 5.210 4.740 0.035 0.000 0.304 96 N C 0.174 175.724 175.510 0.067 0.000 1.135 96 N CA -0.304 52.778 53.050 0.053 0.000 0.817 96 N CB 2.242 40.755 38.487 0.044 0.000 1.294 96 N HN 0.268 nan 8.380 nan 0.000 0.497 97 V N 1.409 121.375 119.914 0.087 0.000 2.628 97 V HA 0.170 4.311 4.120 0.035 0.000 0.282 97 V C 0.836 176.961 176.094 0.053 0.000 0.968 97 V CA 1.540 63.878 62.300 0.064 0.000 1.171 97 V CB -1.166 30.697 31.823 0.067 0.000 0.899 97 V HN 0.935 nan 8.190 nan 0.000 0.462 98 G N 4.568 113.394 108.800 0.043 0.000 2.761 98 G HA2 -0.049 3.932 3.960 0.035 0.000 0.230 98 G HA3 -0.049 3.932 3.960 0.035 0.000 0.230 98 G C -0.256 174.667 174.900 0.038 0.000 1.659 98 G CA -0.105 45.010 45.100 0.026 0.000 0.998 98 G HN 0.666 nan 8.290 nan 0.000 0.506 99 D N 1.226 121.650 120.400 0.040 0.000 2.538 99 D HA 0.410 5.071 4.640 0.035 0.000 0.234 99 D C 2.000 178.313 176.300 0.020 0.000 1.191 99 D CA 0.542 54.571 54.000 0.048 0.000 0.828 99 D CB 0.425 41.252 40.800 0.045 0.000 0.981 99 D HN 0.534 nan 8.370 nan 0.000 0.490 100 A N -0.289 122.543 122.820 0.020 0.000 2.330 100 A HA -0.047 4.294 4.320 0.035 0.000 0.207 100 A C 0.794 178.370 177.584 -0.013 0.000 1.261 100 A CA 0.606 52.645 52.037 0.004 0.000 0.753 100 A CB -0.085 18.922 19.000 0.011 0.000 0.754 100 A HN 0.150 nan 8.150 nan 0.000 0.512 101 V N -0.100 119.795 119.914 -0.031 0.000 2.709 101 V HA 0.318 4.460 4.120 0.035 0.000 0.308 101 V C -0.773 175.245 176.094 -0.126 0.000 1.062 101 V CA -0.903 61.356 62.300 -0.068 0.000 0.901 101 V CB 2.056 33.843 31.823 -0.060 0.000 1.003 101 V HN 0.498 nan 8.190 nan 0.000 0.425 102 N N 4.613 123.233 118.700 -0.133 0.000 2.444 102 N HA 0.611 5.372 4.740 0.035 0.000 0.262 102 N C -1.192 174.186 175.510 -0.219 0.000 0.974 102 N CA -0.258 52.697 53.050 -0.159 0.000 0.933 102 N CB 0.881 39.310 38.487 -0.097 0.000 1.137 102 N HN 0.591 nan 8.380 nan 0.000 0.498 103 I N 5.305 125.678 120.570 -0.328 0.000 2.517 103 I HA 0.347 4.538 4.170 0.035 0.000 0.280 103 I C -2.241 173.707 176.117 -0.282 0.000 1.061 103 I CA -1.852 59.226 61.300 -0.370 0.000 1.091 103 I CB 2.028 39.611 38.000 -0.695 0.000 1.205 103 I HN 0.396 nan 8.210 nan 0.000 0.459 104 P HA 0.268 nan 4.420 nan 0.000 0.277 104 P C 0.027 177.258 177.300 -0.115 0.000 1.271 104 P CA -0.351 62.682 63.100 -0.110 0.000 0.795 104 P CB 1.063 32.705 31.700 -0.097 0.000 1.101 105 I N -2.889 117.619 120.570 -0.103 0.000 3.194 105 I HA 0.291 4.482 4.170 0.035 0.000 0.283 105 I C -2.342 173.498 176.117 -0.461 0.000 1.199 105 I CA -2.425 58.711 61.300 -0.274 0.000 1.328 105 I CB -0.965 36.905 38.000 -0.216 0.000 1.404 105 I HN 0.080 nan 8.210 nan 0.000 0.618 106 P HA -0.029 nan 4.420 nan 0.000 0.262 106 P C 0.069 177.031 177.300 -0.563 0.000 1.182 106 P CA 0.219 62.887 63.100 -0.721 0.000 0.761 106 P CB 0.618 31.623 31.700 -1.158 0.000 0.795 107 Q N 4.019 123.662 119.800 -0.261 0.000 2.112 107 Q HA -0.187 4.175 4.340 0.035 0.000 0.206 107 Q C 1.545 177.506 176.000 -0.064 0.000 0.987 107 Q CA 1.806 57.542 55.803 -0.112 0.000 0.858 107 Q CB -0.265 28.472 28.738 -0.003 0.000 0.905 107 Q HN 0.689 nan 8.270 nan 0.000 0.420 108 W N -0.938 120.346 121.300 -0.026 0.000 2.465 108 W HA -0.031 4.651 4.660 0.037 0.000 0.268 108 W C 1.270 177.842 176.519 0.088 0.000 1.242 108 W CA 0.475 57.848 57.345 0.046 0.000 1.248 108 W CB -0.627 28.861 29.460 0.047 0.000 1.118 108 W HN -0.012 nan 8.180 nan 0.000 0.587 109 V N 2.381 121.794 119.914 -0.834 0.000 2.323 109 V HA -0.234 3.908 4.120 0.035 0.000 0.244 109 V C 2.813 178.825 176.094 -0.137 0.000 1.041 109 V CA 2.116 64.042 62.300 -0.623 0.000 1.025 109 V CB -0.808 30.381 31.823 -1.055 0.000 0.656 109 V HN 0.052 nan 8.190 nan 0.000 0.451 110 R N 0.039 120.468 120.500 -0.117 0.000 2.120 110 R HA -0.165 4.197 4.340 0.035 0.000 0.234 110 R C 2.022 178.401 176.300 0.132 0.000 1.123 110 R CA 1.581 57.749 56.100 0.113 0.000 0.975 110 R CB -0.433 29.925 30.300 0.097 0.000 0.866 110 R HN 0.515 nan 8.270 nan 0.000 0.446 111 D N 0.170 120.629 120.400 0.098 0.000 2.182 111 D HA -0.130 4.532 4.640 0.035 0.000 0.201 111 D C 1.839 178.194 176.300 0.092 0.000 0.986 111 D CA 1.040 55.110 54.000 0.117 0.000 0.847 111 D CB -0.080 40.817 40.800 0.162 0.000 0.942 111 D HN 0.038 nan 8.370 nan 0.000 0.467 112 V N 0.810 120.766 119.914 0.069 0.000 2.469 112 V HA -0.170 3.971 4.120 0.035 0.000 0.251 112 V C 2.463 178.527 176.094 -0.050 0.000 1.064 112 V CA 1.858 64.133 62.300 -0.042 0.000 1.066 112 V CB -0.874 30.857 31.823 -0.153 0.000 0.667 112 V HN 0.247 nan 8.190 nan 0.000 0.461 113 G N -0.779 108.025 108.800 0.008 0.000 2.598 113 G HA2 -0.156 3.826 3.960 0.035 0.000 0.215 113 G HA3 -0.156 3.826 3.960 0.035 0.000 0.215 113 G C 1.562 176.544 174.900 0.137 0.000 1.131 113 G CA 1.166 46.303 45.100 0.062 0.000 0.785 113 G HN 0.479 nan 8.290 nan 0.000 0.539 114 T N 0.910 115.526 114.554 0.103 0.000 2.737 114 T HA -0.055 4.317 4.350 0.035 0.000 0.265 114 T C 2.465 177.199 174.700 0.056 0.000 1.038 114 T CA 0.785 62.935 62.100 0.084 0.000 1.144 114 T CB -0.025 68.886 68.868 0.071 0.000 0.866 114 T HN 0.181 nan 8.240 nan 0.000 0.434 115 R N 1.108 121.626 120.500 0.030 0.000 2.210 115 R HA 0.193 4.554 4.340 0.035 0.000 0.203 115 R C 0.201 176.507 176.300 0.010 0.000 1.010 115 R CA 0.468 56.577 56.100 0.015 0.000 1.008 115 R CB -0.166 30.131 30.300 -0.004 0.000 0.923 115 R HN 0.274 nan 8.270 nan 0.000 0.469 116 D N 1.008 121.409 120.400 0.001 0.000 2.400 116 D HA 0.180 4.841 4.640 0.035 0.000 0.272 116 D C -1.947 174.370 176.300 0.028 0.000 1.220 116 D CA -2.129 51.875 54.000 0.007 0.000 0.897 116 D CB 1.426 42.206 40.800 -0.034 0.000 1.134 116 D HN -0.100 nan 8.370 nan 0.000 0.507 117 P HA 0.027 nan 4.420 nan 0.000 0.237 117 P C 0.352 177.777 177.300 0.209 0.000 1.178 117 P CA 0.346 63.564 63.100 0.196 0.000 0.766 117 P CB 0.567 32.386 31.700 0.198 0.000 0.876 118 D N 0.380 120.874 120.400 0.156 0.000 2.336 118 D HA 0.021 4.682 4.640 0.035 0.000 0.229 118 D C 1.787 178.229 176.300 0.237 0.000 1.061 118 D CA 0.260 54.396 54.000 0.227 0.000 0.875 118 D CB 0.022 40.919 40.800 0.162 0.000 0.904 118 D HN 0.377 nan 8.370 nan 0.000 0.525 119 I N -2.852 117.697 120.570 -0.035 0.000 3.176 119 I HA -0.001 4.191 4.170 0.035 0.000 0.275 119 I C -0.136 175.770 176.117 -0.353 0.000 1.298 119 I CA 0.466 61.615 61.300 -0.252 0.000 1.445 119 I CB -0.236 37.539 38.000 -0.375 0.000 1.075 119 I HN -0.315 nan 8.210 nan 0.000 0.482 120 F N 0.351 120.365 119.950 0.106 0.000 2.450 120 F HA 0.502 5.050 4.527 0.035 0.000 0.332 120 F C -0.009 175.892 175.800 0.168 0.000 1.093 120 F CA -1.247 56.810 58.000 0.095 0.000 1.003 120 F CB 0.401 39.477 39.000 0.126 0.000 1.151 120 F HN -0.228 nan 8.300 nan 0.000 0.474 121 Y N 0.979 121.524 120.300 0.409 0.000 2.712 121 Y HA 0.235 4.806 4.550 0.036 0.000 0.333 121 Y C 0.741 176.842 175.900 0.335 0.000 1.225 121 Y CA 0.259 58.570 58.100 0.352 0.000 1.499 121 Y CB 0.036 38.695 38.460 0.331 0.000 1.288 121 Y HN 0.435 nan 8.280 nan 0.000 0.575 122 T N 3.947 118.808 114.554 0.511 0.000 2.886 122 T HA 0.299 4.670 4.350 0.035 0.000 0.292 122 T C -0.744 174.201 174.700 0.408 0.000 1.012 122 T CA -1.099 61.241 62.100 0.401 0.000 0.982 122 T CB 1.170 70.264 68.868 0.376 0.000 1.018 122 T HN 0.566 nan 8.240 nan 0.000 0.451 123 D N 1.044 121.621 120.400 0.294 0.000 2.506 123 D HA 0.385 5.046 4.640 0.035 0.000 0.272 123 D C 1.527 177.734 176.300 -0.155 0.000 1.214 123 D CA -0.615 53.509 54.000 0.206 0.000 1.067 123 D CB 0.146 41.085 40.800 0.232 0.000 1.117 123 D HN 0.544 nan 8.370 nan 0.000 0.578 124 G N -1.942 106.516 108.800 -0.570 0.000 2.650 124 G HA2 -0.155 3.826 3.960 0.035 0.000 0.214 124 G HA3 -0.155 3.826 3.960 0.035 0.000 0.214 124 G C 0.775 175.246 174.900 -0.716 0.000 1.136 124 G CA 0.404 44.719 45.100 -1.309 0.000 0.789 124 G HN 0.572 nan 8.290 nan 0.000 0.536 125 H N -0.931 118.000 119.070 -0.231 0.000 2.539 125 H HA 0.346 4.901 4.556 -0.002 0.000 0.269 125 H C 1.967 177.269 175.328 -0.043 0.000 0.980 125 H CA 0.436 56.423 56.048 -0.102 0.000 1.152 125 H CB 0.633 30.378 29.762 -0.028 0.000 1.407 125 H HN 0.337 nan 8.280 nan 0.000 0.564 126 G N 0.288 109.110 108.800 0.036 0.000 2.175 126 G HA2 -0.295 3.686 3.960 0.035 0.000 0.244 126 G HA3 -0.295 3.686 3.960 0.035 0.000 0.244 126 G C 0.425 175.396 174.900 0.119 0.000 0.982 126 G CA 0.190 45.339 45.100 0.082 0.000 0.641 126 G HN 0.356 nan 8.290 nan 0.000 0.527 127 T N 3.138 117.772 114.554 0.133 0.000 2.853 127 T HA 0.437 4.808 4.350 0.035 0.000 0.298 127 T C 0.645 175.424 174.700 0.131 0.000 0.978 127 T CA -0.038 62.128 62.100 0.111 0.000 1.152 127 T CB 0.710 69.648 68.868 0.117 0.000 0.914 127 T HN 0.289 nan 8.240 nan 0.000 0.539 128 R N 3.591 124.140 120.500 0.083 0.000 2.308 128 R HA 0.274 4.635 4.340 0.035 0.000 0.305 128 R C 0.156 176.448 176.300 -0.014 0.000 1.053 128 R CA -0.629 55.530 56.100 0.098 0.000 0.957 128 R CB 0.223 30.567 30.300 0.075 0.000 1.022 128 R HN 0.504 nan 8.270 nan 0.000 0.461 129 N N 3.376 122.127 118.700 0.086 0.000 2.426 129 N HA 0.072 4.834 4.740 0.035 0.000 0.257 129 N C 0.459 175.931 175.510 -0.064 0.000 1.002 129 N CA -0.393 52.680 53.050 0.039 0.000 0.942 129 N CB 0.918 39.517 38.487 0.187 0.000 1.112 129 N HN 0.467 nan 8.380 nan 0.000 0.499 130 I N 1.097 121.501 120.570 -0.277 0.000 3.810 130 I HA 0.223 4.414 4.170 0.035 0.000 0.322 130 I C 1.091 177.198 176.117 -0.016 0.000 1.288 130 I CA 0.345 61.348 61.300 -0.495 0.000 1.143 130 I CB -0.239 37.355 38.000 -0.676 0.000 1.012 130 I HN 0.432 nan 8.210 nan 0.000 0.423 131 E N 0.217 120.501 120.200 0.140 0.000 2.208 131 E HA -0.048 4.323 4.350 0.035 0.000 0.193 131 E C -0.413 176.448 176.600 0.434 0.000 0.988 131 E CA 0.911 57.462 56.400 0.253 0.000 0.828 131 E CB 0.133 29.988 29.700 0.259 0.000 0.763 131 E HN 0.593 nan 8.360 nan 0.000 0.478 132 Y N -0.881 119.600 120.300 0.302 0.000 2.620 132 Y HA 0.234 4.805 4.550 0.035 0.000 0.331 132 Y C -1.711 174.336 175.900 0.245 0.000 1.173 132 Y CA -0.892 57.394 58.100 0.310 0.000 1.076 132 Y CB 0.925 39.561 38.460 0.294 0.000 1.336 132 Y HN -0.263 nan 8.280 nan 0.000 0.459 133 L N 3.880 124.835 121.223 -0.446 0.000 2.305 133 L HA 0.315 4.676 4.340 0.035 0.000 0.281 133 L C 0.663 177.255 176.870 -0.463 0.000 1.085 133 L CA -0.562 54.068 54.840 -0.349 0.000 0.813 133 L CB 1.254 43.092 42.059 -0.368 0.000 1.157 133 L HN 0.757 nan 8.230 nan 0.000 0.436 134 T N 2.728 116.958 114.554 -0.539 0.000 2.923 134 T HA 0.003 4.375 4.350 0.035 0.000 0.304 134 T C 1.251 175.681 174.700 -0.450 0.000 1.044 134 T CA -0.377 61.187 62.100 -0.893 0.000 1.141 134 T CB 0.361 68.974 68.868 -0.425 0.000 1.023 134 T HN 0.520 nan 8.240 nan 0.000 0.533 135 L N 4.803 125.793 121.223 -0.389 0.000 2.261 135 L HA 0.204 4.565 4.340 0.035 0.000 0.216 135 L C 2.464 179.302 176.870 -0.054 0.000 1.114 135 L CA 2.019 56.725 54.840 -0.223 0.000 0.777 135 L CB -1.279 40.510 42.059 -0.449 0.000 0.910 135 L HN 0.706 nan 8.230 nan 0.000 0.440 136 G N 0.462 109.256 108.800 -0.010 0.000 2.499 136 G HA2 -0.187 3.794 3.960 0.035 0.000 0.221 136 G HA3 -0.187 3.794 3.960 0.035 0.000 0.221 136 G C 1.303 176.144 174.900 -0.099 0.000 1.109 136 G CA 1.269 46.413 45.100 0.074 0.000 0.749 136 G HN 0.630 nan 8.290 nan 0.000 0.568 137 V N -2.833 116.958 119.914 -0.206 0.000 3.319 137 V HA 0.271 4.412 4.120 0.035 0.000 0.317 137 V C 1.337 177.348 176.094 -0.138 0.000 1.411 137 V CA 0.357 62.481 62.300 -0.293 0.000 1.112 137 V CB 0.383 32.003 31.823 -0.338 0.000 1.031 137 V HN -0.059 nan 8.190 nan 0.000 0.448 138 D N 2.599 122.951 120.400 -0.079 0.000 2.149 138 D HA -0.165 4.496 4.640 0.035 0.000 0.194 138 D C 1.288 177.547 176.300 -0.070 0.000 1.001 138 D CA 1.996 55.967 54.000 -0.047 0.000 0.849 138 D CB -0.078 40.763 40.800 0.068 0.000 0.939 138 D HN 0.560 nan 8.370 nan 0.000 0.449 139 N N 0.472 119.146 118.700 -0.044 0.000 2.282 139 N HA 0.038 4.799 4.740 0.035 0.000 0.240 139 N C -0.493 174.995 175.510 -0.036 0.000 1.182 139 N CA -0.021 53.011 53.050 -0.030 0.000 0.874 139 N CB 0.912 39.400 38.487 0.001 0.000 1.126 139 N HN 0.173 nan 8.380 nan 0.000 0.516 140 Q N 1.285 121.038 119.800 -0.078 0.000 2.314 140 Q HA 0.301 4.662 4.340 0.035 0.000 0.259 140 Q C -2.286 173.670 176.000 -0.074 0.000 0.951 140 Q CA -1.619 54.121 55.803 -0.105 0.000 0.909 140 Q CB 2.293 30.866 28.738 -0.274 0.000 1.236 140 Q HN 0.101 nan 8.270 nan 0.000 0.444 141 P HA 0.134 nan 4.420 nan 0.000 0.225 141 P C 0.087 177.327 177.300 -0.100 0.000 1.813 141 P CA 0.145 63.230 63.100 -0.024 0.000 1.013 141 P CB -0.131 31.565 31.700 -0.007 0.000 1.961 142 L N -0.520 120.554 121.223 -0.248 0.000 2.590 142 L HA 0.257 4.619 4.340 0.035 0.000 0.227 142 L C 0.451 176.890 176.870 -0.718 0.000 1.099 142 L CA 0.274 54.774 54.840 -0.566 0.000 0.872 142 L CB -0.189 41.317 42.059 -0.921 0.000 1.088 142 L HN 0.018 nan 8.230 nan 0.000 0.479 143 F N 0.408 120.316 119.950 -0.070 0.000 2.319 143 F HA 0.380 4.927 4.527 0.034 0.000 0.356 143 F C 0.345 176.197 175.800 0.087 0.000 1.100 143 F CA -0.985 57.014 58.000 -0.001 0.000 1.220 143 F CB -0.331 38.737 39.000 0.114 0.000 1.506 143 F HN 0.060 nan 8.300 nan 0.000 0.512 144 H N 1.103 120.277 119.070 0.172 0.000 2.626 144 H HA -0.208 4.370 4.556 0.036 0.000 0.317 144 H C 1.538 176.910 175.328 0.074 0.000 1.140 144 H CA 0.896 57.000 56.048 0.094 0.000 1.134 144 H CB -1.169 28.631 29.762 0.063 0.000 1.486 144 H HN 0.980 nan 8.280 nan 0.000 0.417 145 G N -0.523 108.340 108.800 0.105 0.000 2.217 145 G HA2 -0.313 3.668 3.960 0.035 0.000 0.246 145 G HA3 -0.313 3.668 3.960 0.035 0.000 0.246 145 G C 0.465 175.422 174.900 0.093 0.000 0.990 145 G CA 0.366 45.514 45.100 0.079 0.000 0.627 145 G HN 0.549 nan 8.290 nan 0.000 0.522 146 R N 0.998 121.593 120.500 0.160 0.000 2.486 146 R HA 0.602 4.963 4.340 0.035 0.000 0.286 146 R C 0.868 177.282 176.300 0.190 0.000 0.999 146 R CA 0.206 56.398 56.100 0.153 0.000 0.993 146 R CB 1.343 31.752 30.300 0.180 0.000 1.084 146 R HN 0.450 nan 8.270 nan 0.000 0.487 147 S N 0.744 116.495 115.700 0.084 0.000 2.655 147 S HA 0.257 4.749 4.470 0.035 0.000 0.265 147 S C 1.216 175.745 174.600 -0.119 0.000 1.240 147 S CA -0.286 57.945 58.200 0.053 0.000 0.986 147 S CB 1.523 64.704 63.200 -0.032 0.000 0.985 147 S HN 0.694 nan 8.310 nan 0.000 0.562 148 A N 0.727 123.384 122.820 -0.270 0.000 1.877 148 A HA 0.008 4.349 4.320 0.035 0.000 0.216 148 A C 2.189 179.100 177.584 -1.122 0.000 1.186 148 A CA 1.659 53.204 52.037 -0.821 0.000 0.620 148 A CB -1.466 17.093 19.000 -0.734 0.000 0.822 148 A HN 0.790 nan 8.150 nan 0.000 0.443 149 V N 0.014 119.577 119.914 -0.585 0.000 2.332 149 V HA -0.342 3.799 4.120 0.035 0.000 0.248 149 V C 2.639 178.553 176.094 -0.299 0.000 1.055 149 V CA 2.317 64.392 62.300 -0.375 0.000 1.038 149 V CB -0.968 30.773 31.823 -0.136 0.000 0.651 149 V HN 0.642 nan 8.190 nan 0.000 0.450 150 Q N -0.947 118.722 119.800 -0.218 0.000 2.084 150 Q HA -0.183 4.178 4.340 0.035 0.000 0.202 150 Q C 2.318 178.257 176.000 -0.102 0.000 0.978 150 Q CA 1.667 57.409 55.803 -0.103 0.000 0.844 150 Q CB -0.219 28.501 28.738 -0.030 0.000 0.898 150 Q HN 0.585 nan 8.270 nan 0.000 0.426 151 M N -0.668 118.795 119.600 -0.229 0.000 2.117 151 M HA -0.184 4.317 4.480 0.035 0.000 0.262 151 M C 1.696 177.875 176.300 -0.202 0.000 1.065 151 M CA 1.387 56.603 55.300 -0.140 0.000 1.114 151 M CB -0.288 32.170 32.600 -0.236 0.000 1.361 151 M HN 0.231 nan 8.290 nan 0.000 0.408 152 Y N 0.257 120.243 120.300 -0.523 0.000 2.181 152 Y HA -0.088 4.483 4.550 0.035 0.000 0.288 152 Y C 2.751 178.567 175.900 -0.140 0.000 1.146 152 Y CA 0.922 58.574 58.100 -0.747 0.000 1.164 152 Y CB -1.673 36.146 38.460 -1.068 0.000 0.982 152 Y HN 0.215 nan 8.280 nan 0.000 0.515 153 A N 0.316 123.160 122.820 0.041 0.000 1.877 153 A HA -0.183 4.158 4.320 0.035 0.000 0.216 153 A C 1.993 179.649 177.584 0.120 0.000 1.186 153 A CA 2.012 54.093 52.037 0.073 0.000 0.620 153 A CB -0.807 18.208 19.000 0.024 0.000 0.822 153 A HN 0.342 nan 8.150 nan 0.000 0.443 154 D N -1.699 118.794 120.400 0.156 0.000 2.117 154 D HA -0.166 4.495 4.640 0.035 0.000 0.197 154 D C 1.694 178.155 176.300 0.268 0.000 0.987 154 D CA 1.566 55.706 54.000 0.233 0.000 0.829 154 D CB -0.490 40.505 40.800 0.326 0.000 0.961 154 D HN 0.619 nan 8.370 nan 0.000 0.460 155 Y N 0.825 121.257 120.300 0.220 0.000 2.145 155 Y HA -0.200 4.372 4.550 0.036 0.000 0.286 155 Y C 2.429 178.433 175.900 0.173 0.000 1.145 155 Y CA 1.569 59.782 58.100 0.189 0.000 1.148 155 Y CB -0.133 38.572 38.460 0.409 0.000 0.981 155 Y HN -0.114 nan 8.280 nan 0.000 0.507 156 M N -1.072 118.738 119.600 0.351 0.000 2.159 156 M HA -0.221 4.280 4.480 0.035 0.000 0.263 156 M C 1.967 178.246 176.300 -0.035 0.000 1.063 156 M CA 1.993 57.408 55.300 0.191 0.000 1.110 156 M CB -0.469 32.266 32.600 0.226 0.000 1.374 156 M HN 0.212 nan 8.290 nan 0.000 0.411 157 T N -0.270 114.251 114.554 -0.055 0.000 2.708 157 T HA -0.139 4.232 4.350 0.035 0.000 0.266 157 T C 1.975 176.597 174.700 -0.131 0.000 1.037 157 T CA 1.873 63.901 62.100 -0.121 0.000 1.146 157 T CB -0.262 68.581 68.868 -0.041 0.000 0.865 157 T HN 0.365 nan 8.240 nan 0.000 0.435 158 S N 0.284 115.906 115.700 -0.131 0.000 2.368 158 S HA -0.084 4.407 4.470 0.035 0.000 0.225 158 S C 1.730 176.106 174.600 -0.372 0.000 1.030 158 S CA 0.956 59.053 58.200 -0.172 0.000 0.999 158 S CB -0.569 62.398 63.200 -0.389 0.000 0.844 158 S HN 0.470 nan 8.310 nan 0.000 0.459 159 F N 2.891 122.482 119.950 -0.598 0.000 2.069 159 F HA -0.122 4.427 4.527 0.036 0.000 0.298 159 F C 2.485 177.948 175.800 -0.562 0.000 1.113 159 F CA 2.249 59.681 58.000 -0.946 0.000 1.214 159 F CB -0.563 38.084 39.000 -0.588 0.000 0.978 159 F HN 0.128 nan 8.300 nan 0.000 0.474 160 R N 0.532 120.910 120.500 -0.203 0.000 2.096 160 R HA -0.232 4.129 4.340 0.035 0.000 0.240 160 R C 2.114 178.204 176.300 -0.350 0.000 1.139 160 R CA 2.362 58.285 56.100 -0.295 0.000 0.952 160 R CB -0.568 29.479 30.300 -0.423 0.000 0.854 160 R HN 0.466 nan 8.270 nan 0.000 0.436 161 E N -0.178 119.845 120.200 -0.294 0.000 2.072 161 E HA -0.128 4.243 4.350 0.035 0.000 0.191 161 E C 1.925 178.367 176.600 -0.263 0.000 0.985 161 E CA 1.095 57.370 56.400 -0.208 0.000 0.801 161 E CB -0.098 29.526 29.700 -0.127 0.000 0.750 161 E HN 0.456 nan 8.360 nan 0.000 0.452 162 N N -0.016 118.428 118.700 -0.427 0.000 2.270 162 N HA -0.058 4.703 4.740 0.035 0.000 0.181 162 N C 1.066 176.338 175.510 -0.396 0.000 1.016 162 N CA 0.841 53.625 53.050 -0.443 0.000 0.870 162 N CB 0.180 38.214 38.487 -0.755 0.000 0.979 162 N HN 0.155 nan 8.380 nan 0.000 0.431 163 M N 0.428 119.717 119.600 -0.518 0.000 2.475 163 M HA 0.122 4.623 4.480 0.035 0.000 0.261 163 M C 1.556 177.746 176.300 -0.183 0.000 1.177 163 M CA -0.064 55.068 55.300 -0.280 0.000 0.979 163 M CB -0.083 32.125 32.600 -0.655 0.000 1.482 163 M HN -0.006 nan 8.290 nan 0.000 0.484 164 K N 1.487 121.756 120.400 -0.218 0.000 2.103 164 K HA -0.164 4.177 4.320 0.035 0.000 0.207 164 K C 1.458 178.002 176.600 -0.093 0.000 1.048 164 K CA 1.611 57.822 56.287 -0.127 0.000 0.930 164 K CB 0.247 32.710 32.500 -0.062 0.000 0.716 164 K HN 0.392 nan 8.250 nan 0.000 0.444 165 E N -0.549 119.517 120.200 -0.224 0.000 2.153 165 E HA -0.168 4.203 4.350 0.035 0.000 0.194 165 E C 1.792 178.223 176.600 -0.281 0.000 0.988 165 E CA 1.119 57.344 56.400 -0.293 0.000 0.811 165 E CB -0.106 29.327 29.700 -0.444 0.000 0.746 165 E HN 0.325 nan 8.360 nan 0.000 0.466 166 F N 0.570 120.496 119.950 -0.040 0.000 2.259 166 F HA -0.055 4.494 4.527 0.036 0.000 0.298 166 F C 2.067 177.846 175.800 -0.035 0.000 1.088 166 F CA 0.624 58.602 58.000 -0.036 0.000 1.358 166 F CB -0.392 38.587 39.000 -0.036 0.000 1.040 166 F HN -0.050 nan 8.300 nan 0.000 0.505 167 L N -0.287 121.009 121.223 0.122 0.000 2.005 167 L HA -0.210 4.152 4.340 0.035 0.000 0.207 167 L C 2.099 179.064 176.870 0.159 0.000 1.072 167 L CA 1.356 56.265 54.840 0.115 0.000 0.744 167 L CB -0.613 41.468 42.059 0.036 0.000 0.895 167 L HN -0.004 nan 8.230 nan 0.000 0.433 168 D N 0.022 120.507 120.400 0.142 0.000 2.178 168 D HA -0.120 4.541 4.640 0.035 0.000 0.201 168 D C 2.024 178.362 176.300 0.063 0.000 0.980 168 D CA 1.334 55.401 54.000 0.112 0.000 0.842 168 D CB 0.020 40.864 40.800 0.074 0.000 0.948 168 D HN 0.314 nan 8.370 nan 0.000 0.472 169 A N -0.311 122.537 122.820 0.045 0.000 2.238 169 A HA 0.369 4.711 4.320 0.035 0.000 0.208 169 A C 1.755 179.368 177.584 0.048 0.000 1.177 169 A CA 1.065 53.124 52.037 0.036 0.000 0.804 169 A CB -0.260 18.756 19.000 0.026 0.000 0.823 169 A HN 0.239 nan 8.150 nan 0.000 0.482 170 G N -1.724 107.115 108.800 0.065 0.000 2.143 170 G HA2 -0.266 3.716 3.960 0.035 0.000 0.248 170 G HA3 -0.266 3.716 3.960 0.035 0.000 0.248 170 G C 0.832 175.758 174.900 0.044 0.000 0.991 170 G CA 0.519 45.651 45.100 0.053 0.000 0.689 170 G HN 0.592 nan 8.290 nan 0.000 0.522 171 V N 0.222 120.174 119.914 0.064 0.000 2.273 171 V HA 0.190 4.331 4.120 0.035 0.000 0.242 171 V C 1.801 177.885 176.094 -0.016 0.000 1.035 171 V CA 1.616 63.939 62.300 0.038 0.000 1.013 171 V CB -0.159 31.724 31.823 0.099 0.000 0.652 171 V HN 0.456 nan 8.190 nan 0.000 0.452 172 I N 1.600 122.156 120.570 -0.023 0.000 2.337 172 I HA 0.122 4.313 4.170 0.035 0.000 0.291 172 I C 0.736 176.842 176.117 -0.018 0.000 1.046 172 I CA 0.123 61.379 61.300 -0.074 0.000 1.324 172 I CB 1.286 39.243 38.000 -0.072 0.000 1.409 172 I HN 0.145 nan 8.210 nan 0.000 0.494 173 V N 0.673 120.572 119.914 -0.026 0.000 3.502 173 V HA 0.401 4.542 4.120 0.035 0.000 0.288 173 V C -0.198 175.874 176.094 -0.035 0.000 1.461 173 V CA 0.081 62.388 62.300 0.011 0.000 1.029 173 V CB 0.399 32.266 31.823 0.074 0.000 0.843 173 V HN 0.741 nan 8.190 nan 0.000 0.438 174 D N 0.179 120.508 120.400 -0.118 0.000 2.977 174 D HA 0.494 5.156 4.640 0.035 0.000 0.220 174 D C -1.323 174.828 176.300 -0.248 0.000 1.267 174 D CA -0.343 53.556 54.000 -0.168 0.000 0.884 174 D CB 1.921 42.605 40.800 -0.192 0.000 1.667 174 D HN 0.038 nan 8.370 nan 0.000 0.536 175 I N 3.316 123.698 120.570 -0.313 0.000 2.354 175 I HA 0.251 4.442 4.170 0.035 0.000 0.286 175 I C -0.126 175.818 176.117 -0.289 0.000 1.007 175 I CA -0.628 60.426 61.300 -0.411 0.000 1.167 175 I CB 1.231 38.797 38.000 -0.723 0.000 1.320 175 I HN 0.406 nan 8.210 nan 0.000 0.458 176 E N 5.859 125.906 120.200 -0.256 0.000 2.130 176 E HA 0.297 4.669 4.350 0.035 0.000 0.284 176 E C -0.578 175.910 176.600 -0.188 0.000 1.018 176 E CA -0.557 55.726 56.400 -0.195 0.000 0.817 176 E CB 2.578 32.172 29.700 -0.177 0.000 1.078 176 E HN 0.219 nan 8.360 nan 0.000 0.396 177 V N 2.888 122.718 119.914 -0.140 0.000 2.368 177 V HA 0.201 4.342 4.120 0.035 0.000 0.266 177 V C 0.932 176.978 176.094 -0.079 0.000 1.045 177 V CA -0.616 61.627 62.300 -0.096 0.000 0.899 177 V CB 1.006 32.788 31.823 -0.069 0.000 1.006 177 V HN 0.725 nan 8.190 nan 0.000 0.470 178 G N 4.371 113.137 108.800 -0.057 0.000 2.340 178 G HA2 0.372 4.353 3.960 0.035 0.000 0.245 178 G HA3 0.372 4.353 3.960 0.035 0.000 0.245 178 G C 0.257 175.169 174.900 0.020 0.000 1.294 178 G CA -0.220 44.874 45.100 -0.010 0.000 0.896 178 G HN 0.753 nan 8.290 nan 0.000 0.522 179 L N 2.188 123.363 121.223 -0.079 0.000 3.184 179 L HA 0.431 4.792 4.340 0.035 0.000 0.283 179 L C 1.066 177.770 176.870 -0.277 0.000 1.218 179 L CA 0.237 55.039 54.840 -0.065 0.000 1.028 179 L CB 0.157 42.168 42.059 -0.079 0.000 1.400 179 L HN 0.833 nan 8.230 nan 0.000 0.591 180 G N -0.597 107.755 108.800 -0.747 0.000 2.341 180 G HA2 0.228 4.210 3.960 0.035 0.000 0.299 180 G HA3 0.228 4.210 3.960 0.035 0.000 0.299 180 G C -3.162 171.247 174.900 -0.817 0.000 1.274 180 G CA -0.709 43.616 45.100 -1.292 0.000 0.853 180 G HN -0.336 nan 8.290 nan 0.000 0.493 181 P HA 0.332 nan 4.420 nan 0.000 0.264 181 P C 0.747 177.850 177.300 -0.328 0.000 1.183 181 P CA 1.775 64.748 63.100 -0.211 0.000 0.763 181 P CB 1.027 32.640 31.700 -0.146 0.000 0.807 182 A N 3.000 125.613 122.820 -0.346 0.000 2.829 182 A HA -0.115 4.226 4.320 0.035 0.000 0.267 182 A C 1.547 178.718 177.584 -0.688 0.000 1.370 182 A CA 1.872 53.689 52.037 -0.367 0.000 0.900 182 A CB -2.483 16.453 19.000 -0.106 0.000 1.044 182 A HN 1.173 nan 8.150 nan 0.000 0.691 183 G N -2.229 105.851 108.800 -1.199 0.000 2.179 183 G HA2 -0.248 3.734 3.960 0.035 0.000 0.260 183 G HA3 -0.248 3.734 3.960 0.035 0.000 0.260 183 G C -0.147 174.571 174.900 -0.303 0.000 0.977 183 G CA 0.969 45.697 45.100 -0.621 0.000 0.641 183 G HN 1.205 nan 8.290 nan 0.000 0.533 184 E N -0.301 119.729 120.200 -0.282 0.000 2.277 184 E HA 0.516 4.887 4.350 0.035 0.000 0.274 184 E C 0.438 176.956 176.600 -0.137 0.000 1.022 184 E CA -0.770 55.549 56.400 -0.136 0.000 0.853 184 E CB 1.112 30.776 29.700 -0.060 0.000 1.086 184 E HN 0.259 nan 8.360 nan 0.000 0.397 185 M N 5.196 124.779 119.600 -0.028 0.000 2.821 185 M HA 0.090 4.591 4.480 0.035 0.000 0.305 185 M C -0.633 175.664 176.300 -0.005 0.000 1.466 185 M CA 0.486 55.780 55.300 -0.009 0.000 1.526 185 M CB -0.613 32.026 32.600 0.066 0.000 1.321 185 M HN 0.500 nan 8.290 nan 0.000 0.492 186 R N 1.967 122.335 120.500 -0.220 0.000 2.741 186 R HA 0.399 4.760 4.340 0.035 0.000 0.274 186 R C -1.984 174.013 176.300 -0.505 0.000 1.029 186 R CA -0.989 54.904 56.100 -0.345 0.000 0.880 186 R CB 0.883 31.064 30.300 -0.199 0.000 1.264 186 R HN 0.271 nan 8.270 nan 0.000 0.465 187 Y N 0.405 120.430 120.300 -0.459 0.000 2.335 187 Y HA 0.388 4.962 4.550 0.040 0.000 0.323 187 Y C -1.659 174.016 175.900 -0.374 0.000 1.224 187 Y CA -2.321 55.439 58.100 -0.566 0.000 1.241 187 Y CB 1.230 39.388 38.460 -0.504 0.000 1.235 187 Y HN 0.413 nan 8.280 nan 0.000 0.492 188 P HA 0.033 nan 4.420 nan 0.000 0.226 188 P C 0.044 177.302 177.300 -0.070 0.000 1.783 188 P CA 0.087 63.096 63.100 -0.151 0.000 0.980 188 P CB -0.156 31.533 31.700 -0.019 0.000 1.967 189 S N -0.007 115.661 115.700 -0.053 0.000 2.527 189 S HA -0.069 4.422 4.470 0.035 0.000 0.222 189 S C 0.655 175.318 174.600 0.104 0.000 0.985 189 S CA 0.027 58.279 58.200 0.087 0.000 0.921 189 S CB -0.938 62.309 63.200 0.078 0.000 0.772 189 S HN 0.413 nan 8.310 nan 0.000 0.529 190 Y N -0.254 119.861 120.300 -0.308 0.000 2.511 190 Y HA 0.591 5.160 4.550 0.032 0.000 0.356 190 Y C -3.228 172.365 175.900 -0.511 0.000 1.002 190 Y CA -3.687 53.849 58.100 -0.939 0.000 1.127 190 Y CB 0.010 37.444 38.460 -1.711 0.000 1.137 190 Y HN -0.027 nan 8.280 nan 0.000 0.652 191 P HA 0.009 nan 4.420 nan 0.000 0.260 191 P C 0.474 177.843 177.300 0.116 0.000 1.651 191 P CA 0.128 63.191 63.100 -0.062 0.000 1.139 191 P CB 1.182 32.832 31.700 -0.084 0.000 1.756 192 Q N 1.665 121.608 119.800 0.238 0.000 2.234 192 Q HA -0.111 4.250 4.340 0.035 0.000 0.206 192 Q C 0.746 176.790 176.000 0.073 0.000 0.980 192 Q CA 1.550 57.563 55.803 0.349 0.000 0.869 192 Q CB -0.333 28.622 28.738 0.361 0.000 0.912 192 Q HN 0.158 nan 8.270 nan 0.000 0.436 193 S N -0.720 114.946 115.700 -0.057 0.000 2.540 193 S HA 0.124 4.615 4.470 0.035 0.000 0.218 193 S C -0.556 173.705 174.600 -0.565 0.000 0.977 193 S CA -0.313 57.713 58.200 -0.289 0.000 0.918 193 S CB 0.224 63.221 63.200 -0.338 0.000 0.806 193 S HN 0.514 nan 8.310 nan 0.000 0.496 194 H N -0.332 118.715 119.070 -0.038 0.000 2.651 194 H HA 0.413 4.988 4.556 0.033 0.000 0.241 194 H C 0.973 176.206 175.328 -0.158 0.000 1.225 194 H CA 0.199 56.200 56.048 -0.077 0.000 0.942 194 H CB 0.637 30.359 29.762 -0.066 0.000 1.996 194 H HN 0.311 nan 8.280 nan 0.000 0.600 195 G N -0.010 108.748 108.800 -0.070 0.000 2.183 195 G HA2 -0.223 3.758 3.960 0.035 0.000 0.168 195 G HA3 -0.223 3.758 3.960 0.035 0.000 0.168 195 G C -0.446 174.403 174.900 -0.085 0.000 1.008 195 G CA -0.461 44.586 45.100 -0.088 0.000 0.677 195 G HN 0.376 nan 8.290 nan 0.000 0.498 196 W N 1.705 122.844 121.300 -0.269 0.000 2.606 196 W HA 0.765 5.441 4.660 0.027 0.000 0.332 196 W C -0.297 176.202 176.519 -0.034 0.000 1.052 196 W CA -0.456 56.827 57.345 -0.103 0.000 1.223 196 W CB 2.002 31.428 29.460 -0.056 0.000 1.383 196 W HN 0.134 nan 8.180 nan 0.000 0.524 197 S N 5.499 120.673 115.700 -0.877 0.000 2.538 197 S HA 0.362 4.853 4.470 0.035 0.000 0.288 197 S C -1.062 172.515 174.600 -1.705 0.000 1.108 197 S CA -0.724 56.866 58.200 -1.016 0.000 0.971 197 S CB 0.938 63.852 63.200 -0.476 0.000 1.041 197 S HN 0.409 nan 8.310 nan 0.000 0.483 198 F N 5.584 124.465 119.950 -1.781 0.000 2.607 198 F HA 0.269 4.820 4.527 0.040 0.000 0.374 198 F C -1.554 173.843 175.800 -0.671 0.000 1.104 198 F CA -0.876 56.385 58.000 -1.232 0.000 1.296 198 F CB 0.683 39.222 39.000 -0.770 0.000 1.085 198 F HN 0.318 nan 8.300 nan 0.000 0.584 199 P HA 0.235 nan 4.420 nan 0.000 0.228 199 P C -0.108 177.065 177.300 -0.212 0.000 1.873 199 P CA -0.225 62.035 63.100 -1.400 0.000 1.033 199 P CB 0.125 30.874 31.700 -1.584 0.000 1.707 200 G N 1.360 110.076 108.800 -0.140 0.000 2.559 200 G HA2 0.078 4.059 3.960 0.035 0.000 0.235 200 G HA3 0.078 4.059 3.960 0.035 0.000 0.235 200 G C 1.213 176.537 174.900 0.707 0.000 1.266 200 G CA -0.556 44.711 45.100 0.277 0.000 0.847 200 G HN 0.371 nan 8.290 nan 0.000 0.583 201 I N 0.250 121.005 120.570 0.309 0.000 2.567 201 I HA 0.217 4.408 4.170 0.035 0.000 0.257 201 I C 1.320 177.456 176.117 0.032 0.000 1.184 201 I CA 0.672 61.962 61.300 -0.018 0.000 1.451 201 I CB -0.885 36.749 38.000 -0.610 0.000 1.089 201 I HN 1.001 nan 8.210 nan 0.000 0.441 202 G N 1.099 110.054 108.800 0.258 0.000 2.725 202 G HA2 -0.174 3.807 3.960 0.035 0.000 0.220 202 G HA3 -0.174 3.807 3.960 0.035 0.000 0.220 202 G C -0.712 174.099 174.900 -0.149 0.000 1.357 202 G CA -0.193 45.031 45.100 0.206 0.000 0.866 202 G HN 0.569 nan 8.290 nan 0.000 0.548 203 E N -1.295 118.760 120.200 -0.241 0.000 2.367 203 E HA 0.524 4.895 4.350 0.035 0.000 0.273 203 E C -0.986 175.385 176.600 -0.383 0.000 0.903 203 E CA -0.870 55.258 56.400 -0.454 0.000 0.764 203 E CB 1.547 30.802 29.700 -0.740 0.000 1.252 203 E HN 0.301 nan 8.360 nan 0.000 0.446 204 F N 2.059 121.909 119.950 -0.168 0.000 2.504 204 F HA 0.105 4.650 4.527 0.029 0.000 0.369 204 F C 0.802 176.564 175.800 -0.064 0.000 1.082 204 F CA -0.237 57.589 58.000 -0.290 0.000 1.216 204 F CB 0.337 39.045 39.000 -0.487 0.000 1.108 204 F HN 0.263 nan 8.300 nan 0.000 0.554 205 I N 4.291 124.961 120.570 0.166 0.000 2.802 205 I HA 0.119 4.311 4.170 0.035 0.000 0.307 205 I C 0.281 176.581 176.117 0.305 0.000 1.232 205 I CA -0.159 61.291 61.300 0.251 0.000 1.060 205 I CB -0.271 37.851 38.000 0.204 0.000 1.866 205 I HN 0.718 nan 8.210 nan 0.000 0.568 206 C N -1.916 117.519 119.300 0.225 0.000 2.976 206 C HA 0.349 4.831 4.460 0.035 0.000 0.274 206 C C 1.167 176.245 174.990 0.146 0.000 1.487 206 C CA -0.486 58.637 59.018 0.175 0.000 1.789 206 C CB -1.779 25.980 27.740 0.031 0.000 2.771 206 C HN 0.489 nan 8.230 nan 0.000 0.551 207 Y N 2.619 123.106 120.300 0.313 0.000 2.490 207 Y HA 0.134 4.710 4.550 0.043 0.000 0.281 207 Y C 1.150 177.244 175.900 0.323 0.000 1.174 207 Y CA 0.111 58.432 58.100 0.367 0.000 1.295 207 Y CB -0.407 38.199 38.460 0.245 0.000 1.062 207 Y HN 0.553 nan 8.280 nan 0.000 0.522 208 D N 0.202 120.871 120.400 0.447 0.000 2.400 208 D HA -0.051 4.610 4.640 0.035 0.000 0.238 208 D C 1.232 177.700 176.300 0.280 0.000 1.157 208 D CA -0.243 53.973 54.000 0.359 0.000 0.889 208 D CB 0.789 41.819 40.800 0.383 0.000 1.199 208 D HN 0.321 nan 8.370 nan 0.000 0.436 209 K N 0.952 121.423 120.400 0.119 0.000 2.209 209 K HA -0.253 4.088 4.320 0.035 0.000 0.204 209 K C 1.192 177.757 176.600 -0.057 0.000 1.048 209 K CA 0.978 57.247 56.287 -0.030 0.000 0.940 209 K CB -0.476 31.902 32.500 -0.204 0.000 0.729 209 K HN 0.550 nan 8.250 nan 0.000 0.451 210 Y N 1.841 122.242 120.300 0.167 0.000 2.163 210 Y HA -0.094 4.477 4.550 0.035 0.000 0.288 210 Y C 2.297 178.356 175.900 0.266 0.000 1.136 210 Y CA 1.120 59.322 58.100 0.171 0.000 1.147 210 Y CB -0.431 38.102 38.460 0.122 0.000 0.987 210 Y HN -0.098 nan 8.280 nan 0.000 0.509 211 L N -0.325 121.192 121.223 0.490 0.000 2.141 211 L HA -0.239 4.123 4.340 0.035 0.000 0.209 211 L C 2.409 179.678 176.870 0.664 0.000 1.094 211 L CA 1.259 56.480 54.840 0.634 0.000 0.763 211 L CB -0.624 41.833 42.059 0.662 0.000 0.908 211 L HN 0.348 nan 8.230 nan 0.000 0.437 212 Q N -0.132 119.927 119.800 0.431 0.000 2.050 212 Q HA -0.196 4.165 4.340 0.035 0.000 0.202 212 Q C 2.475 178.570 176.000 0.159 0.000 0.980 212 Q CA 1.679 57.605 55.803 0.204 0.000 0.840 212 Q CB -0.215 28.556 28.738 0.055 0.000 0.898 212 Q HN 0.568 nan 8.270 nan 0.000 0.424 213 A N 1.148 124.071 122.820 0.171 0.000 1.902 213 A HA -0.239 4.102 4.320 0.035 0.000 0.217 213 A C 1.674 179.379 177.584 0.202 0.000 1.181 213 A CA 1.870 53.989 52.037 0.136 0.000 0.623 213 A CB -0.627 18.434 19.000 0.101 0.000 0.818 213 A HN 0.405 nan 8.150 nan 0.000 0.443 214 D N -1.533 119.067 120.400 0.334 0.000 2.117 214 D HA -0.180 4.481 4.640 0.035 0.000 0.197 214 D C 1.620 178.170 176.300 0.417 0.000 0.987 214 D CA 1.489 55.744 54.000 0.425 0.000 0.829 214 D CB -0.220 40.918 40.800 0.565 0.000 0.961 214 D HN 0.403 nan 8.370 nan 0.000 0.460 215 F N 1.146 121.175 119.950 0.133 0.000 2.146 215 F HA -0.061 4.491 4.527 0.042 0.000 0.298 215 F C 2.127 177.819 175.800 -0.179 0.000 1.096 215 F CA 1.423 59.138 58.000 -0.475 0.000 1.275 215 F CB -0.182 38.300 39.000 -0.863 0.000 1.008 215 F HN -0.174 nan 8.300 nan 0.000 0.480 216 K N 0.494 120.909 120.400 0.025 0.000 2.063 216 K HA -0.179 4.162 4.320 0.035 0.000 0.208 216 K C 2.205 178.760 176.600 -0.075 0.000 1.048 216 K CA 1.422 57.688 56.287 -0.035 0.000 0.928 216 K CB -0.488 32.020 32.500 0.012 0.000 0.713 216 K HN 0.303 nan 8.250 nan 0.000 0.442 217 A N 0.908 123.728 122.820 0.000 0.000 1.902 217 A HA -0.077 4.265 4.320 0.035 0.000 0.217 217 A C 2.349 179.942 177.584 0.015 0.000 1.181 217 A CA 1.837 53.887 52.037 0.022 0.000 0.623 217 A CB -0.870 18.179 19.000 0.081 0.000 0.818 217 A HN 0.510 nan 8.150 nan 0.000 0.443 218 A N -0.159 122.678 122.820 0.029 0.000 1.898 218 A HA 0.192 4.533 4.320 0.035 0.000 0.216 218 A C 2.506 180.159 177.584 0.115 0.000 1.181 218 A CA 2.017 54.126 52.037 0.120 0.000 0.620 218 A CB -1.020 18.091 19.000 0.186 0.000 0.819 218 A HN 1.053 nan 8.150 nan 0.000 0.442 219 A N -0.193 122.526 122.820 -0.168 0.000 1.933 219 A HA 0.176 4.517 4.320 0.035 0.000 0.218 219 A C 2.463 179.863 177.584 -0.306 0.000 1.175 219 A CA 2.006 53.813 52.037 -0.384 0.000 0.628 219 A CB -0.899 17.796 19.000 -0.508 0.000 0.814 219 A HN 1.017 nan 8.150 nan 0.000 0.444 220 A N -0.154 122.550 122.820 -0.193 0.000 1.930 220 A HA 0.213 4.554 4.320 0.035 0.000 0.217 220 A C 2.460 179.967 177.584 -0.129 0.000 1.175 220 A CA 1.825 53.766 52.037 -0.160 0.000 0.627 220 A CB -0.932 18.007 19.000 -0.102 0.000 0.815 220 A HN 1.052 nan 8.150 nan 0.000 0.443 221 A N -0.099 122.681 122.820 -0.067 0.000 2.019 221 A HA 0.026 4.367 4.320 0.035 0.000 0.219 221 A C 1.881 179.440 177.584 -0.042 0.000 1.164 221 A CA 1.782 53.804 52.037 -0.026 0.000 0.644 221 A CB -0.887 18.137 19.000 0.039 0.000 0.805 221 A HN 1.192 nan 8.150 nan 0.000 0.449 222 V N -4.004 115.860 119.914 -0.082 0.000 3.421 222 V HA 0.567 4.708 4.120 0.035 0.000 0.316 222 V C 1.098 177.055 176.094 -0.228 0.000 1.347 222 V CA 0.446 62.680 62.300 -0.110 0.000 1.183 222 V CB -0.917 30.863 31.823 -0.071 0.000 1.092 222 V HN 1.423 nan 8.190 nan 0.000 0.433 223 G N 0.743 109.376 108.800 -0.279 0.000 2.143 223 G HA2 -0.244 3.738 3.960 0.035 0.000 0.248 223 G HA3 -0.244 3.738 3.960 0.035 0.000 0.248 223 G C 0.078 174.555 174.900 -0.705 0.000 0.991 223 G CA 0.509 45.370 45.100 -0.399 0.000 0.689 223 G HN 0.731 nan 8.290 nan 0.000 0.522 224 H N -0.135 118.549 119.070 -0.643 0.000 2.386 224 H HA 0.205 4.783 4.556 0.036 0.000 0.232 224 H C -1.621 173.357 175.328 -0.584 0.000 1.416 224 H CA -0.702 54.812 56.048 -0.890 0.000 1.285 224 H CB 1.420 30.011 29.762 -1.952 0.000 1.625 224 H HN 0.257 nan 8.280 nan 0.000 0.521 225 P HA -0.164 nan 4.420 nan 0.000 0.225 225 P C 1.402 178.642 177.300 -0.100 0.000 1.148 225 P CA 0.997 63.989 63.100 -0.181 0.000 0.779 225 P CB 0.413 32.021 31.700 -0.152 0.000 0.780 226 E N -1.373 118.768 120.200 -0.099 0.000 2.358 226 E HA -0.116 4.255 4.350 0.035 0.000 0.195 226 E C 0.285 176.989 176.600 0.172 0.000 1.010 226 E CA 0.152 56.560 56.400 0.015 0.000 0.856 226 E CB -0.741 28.969 29.700 0.017 0.000 0.795 226 E HN 0.147 nan 8.360 nan 0.000 0.504 227 W N 2.328 123.631 121.300 0.005 0.000 2.181 227 W HA 0.251 4.934 4.660 0.039 0.000 0.335 227 W C 0.596 177.207 176.519 0.155 0.000 1.310 227 W CA -0.445 56.927 57.345 0.045 0.000 1.226 227 W CB 0.223 29.677 29.460 -0.010 0.000 1.155 227 W HN 0.016 nan 8.180 nan 0.000 0.565 228 E N 0.947 121.284 120.200 0.227 0.000 2.423 228 E HA 0.376 4.747 4.350 0.035 0.000 0.269 228 E C -0.883 175.474 176.600 -0.406 0.000 0.948 228 E CA -1.212 55.101 56.400 -0.145 0.000 0.802 228 E CB 1.233 30.822 29.700 -0.184 0.000 1.339 228 E HN -0.111 nan 8.360 nan 0.000 0.445 229 F N 1.955 121.432 119.950 -0.789 0.000 2.595 229 F HA 0.094 4.640 4.527 0.030 0.000 0.359 229 F C -1.587 173.715 175.800 -0.831 0.000 1.147 229 F CA -2.035 55.317 58.000 -1.081 0.000 1.341 229 F CB -0.684 37.718 39.000 -0.998 0.000 1.104 229 F HN 0.129 nan 8.300 nan 0.000 0.603 230 P HA 0.043 nan 4.420 nan 0.000 0.268 230 P C -0.087 176.965 177.300 -0.414 0.000 1.204 230 P CA -0.082 62.633 63.100 -0.641 0.000 0.768 230 P CB 0.490 31.584 31.700 -1.009 0.000 0.842 231 N N 0.498 119.055 118.700 -0.239 0.000 2.187 231 N HA -0.022 4.739 4.740 0.035 0.000 0.212 231 N C -0.296 175.154 175.510 -0.101 0.000 1.152 231 N CA -0.107 52.857 53.050 -0.144 0.000 0.872 231 N CB -0.294 38.134 38.487 -0.098 0.000 1.025 231 N HN 0.235 nan 8.380 nan 0.000 0.514 232 D N -0.091 120.248 120.400 -0.101 0.000 2.892 232 D HA 0.058 4.719 4.640 0.035 0.000 0.291 232 D C 0.813 177.125 176.300 0.020 0.000 1.341 232 D CA -0.645 53.343 54.000 -0.019 0.000 0.844 232 D CB -0.130 40.681 40.800 0.017 0.000 1.093 232 D HN 0.119 nan 8.370 nan 0.000 0.480 233 V N -3.875 116.022 119.914 -0.028 0.000 3.578 233 V HA 0.547 4.689 4.120 0.035 0.000 0.290 233 V C 1.265 177.463 176.094 0.172 0.000 1.376 233 V CA 0.307 62.636 62.300 0.048 0.000 1.083 233 V CB -0.427 31.353 31.823 -0.072 0.000 0.911 233 V HN 0.437 nan 8.190 nan 0.000 0.433 234 G N 0.977 109.827 108.800 0.082 0.000 2.552 234 G HA2 -0.236 3.745 3.960 0.035 0.000 0.265 234 G HA3 -0.236 3.745 3.960 0.035 0.000 0.265 234 G C -0.348 174.563 174.900 0.018 0.000 1.234 234 G CA 0.664 45.800 45.100 0.059 0.000 0.944 234 G HN 0.757 nan 8.290 nan 0.000 0.568 235 Q N -2.229 117.570 119.800 -0.002 0.000 2.687 235 Q HA 0.567 4.928 4.340 0.035 0.000 0.305 235 Q C 0.742 176.729 176.000 -0.021 0.000 1.006 235 Q CA -0.914 54.863 55.803 -0.044 0.000 0.763 235 Q CB 1.175 29.933 28.738 0.033 0.000 1.506 235 Q HN 0.483 nan 8.270 nan 0.000 0.459 236 Y N 0.700 121.060 120.300 0.101 0.000 2.096 236 Y HA -0.259 4.314 4.550 0.038 0.000 0.278 236 Y C 1.582 177.595 175.900 0.189 0.000 1.192 236 Y CA 1.775 59.992 58.100 0.196 0.000 1.143 236 Y CB -0.073 38.551 38.460 0.273 0.000 0.963 236 Y HN 0.493 nan 8.280 nan 0.000 0.505 237 N N 0.075 118.916 118.700 0.235 0.000 2.268 237 N HA 0.002 4.763 4.740 0.035 0.000 0.204 237 N C -0.539 174.992 175.510 0.036 0.000 1.124 237 N CA 0.192 53.291 53.050 0.082 0.000 0.838 237 N CB -0.190 38.298 38.487 0.003 0.000 0.994 237 N HN 0.292 nan 8.380 nan 0.000 0.489 238 D N 0.679 121.094 120.400 0.025 0.000 2.361 238 D HA 0.039 4.700 4.640 0.035 0.000 0.239 238 D C 1.039 177.277 176.300 -0.103 0.000 1.200 238 D CA 0.497 54.477 54.000 -0.034 0.000 0.915 238 D CB 0.959 41.733 40.800 -0.044 0.000 1.170 238 D HN 0.172 nan 8.370 nan 0.000 0.444 239 T N -2.693 111.766 114.554 -0.157 0.000 2.948 239 T HA 0.417 4.788 4.350 0.035 0.000 0.285 239 T C -2.040 172.379 174.700 -0.468 0.000 1.019 239 T CA -1.712 60.145 62.100 -0.405 0.000 1.013 239 T CB 1.819 70.581 68.868 -0.176 0.000 1.117 239 T HN -0.071 nan 8.240 nan 0.000 0.533 240 P HA -0.050 nan 4.420 nan 0.000 0.215 240 P C 1.376 178.611 177.300 -0.110 0.000 1.153 240 P CA 0.881 63.750 63.100 -0.386 0.000 0.853 240 P CB 0.093 31.524 31.700 -0.448 0.000 0.788 241 E N -0.872 119.262 120.200 -0.111 0.000 2.478 241 E HA -0.066 4.305 4.350 0.035 0.000 0.198 241 E C 1.698 178.295 176.600 -0.005 0.000 1.046 241 E CA 0.490 56.876 56.400 -0.023 0.000 0.870 241 E CB -0.324 29.372 29.700 -0.008 0.000 0.818 241 E HN 0.248 nan 8.360 nan 0.000 0.527 242 R N 0.884 121.370 120.500 -0.022 0.000 2.316 242 R HA -0.006 4.356 4.340 0.035 0.000 0.202 242 R C 1.110 177.432 176.300 0.037 0.000 1.029 242 R CA 0.528 56.629 56.100 0.002 0.000 1.018 242 R CB -0.407 29.884 30.300 -0.014 0.000 0.888 242 R HN 0.193 nan 8.270 nan 0.000 0.471 243 T N -3.403 111.195 114.554 0.073 0.000 2.900 243 T HA 0.276 4.647 4.350 0.035 0.000 0.295 243 T C 0.740 175.509 174.700 0.114 0.000 1.044 243 T CA -0.895 61.279 62.100 0.124 0.000 0.995 243 T CB 2.566 71.592 68.868 0.263 0.000 1.072 243 T HN -0.222 nan 8.240 nan 0.000 0.473 244 Q N 0.597 120.451 119.800 0.091 0.000 2.230 244 Q HA 0.064 4.425 4.340 0.035 0.000 0.202 244 Q C 1.396 177.434 176.000 0.064 0.000 0.963 244 Q CA 0.958 56.797 55.803 0.061 0.000 0.866 244 Q CB -0.327 28.431 28.738 0.033 0.000 0.931 244 Q HN 0.845 nan 8.270 nan 0.000 0.452 245 F N -0.161 119.738 119.950 -0.085 0.000 2.098 245 F HA -0.136 4.411 4.527 0.033 0.000 0.294 245 F C 1.358 177.078 175.800 -0.133 0.000 1.107 245 F CA 1.204 59.069 58.000 -0.224 0.000 1.234 245 F CB -0.009 38.681 39.000 -0.517 0.000 1.002 245 F HN -0.069 nan 8.300 nan 0.000 0.472 246 F N 0.689 120.753 119.950 0.189 0.000 2.749 246 F HA 0.198 4.737 4.527 0.021 0.000 0.300 246 F C 1.143 176.935 175.800 -0.013 0.000 1.103 246 F CA -0.349 57.664 58.000 0.022 0.000 1.342 246 F CB -0.591 38.388 39.000 -0.034 0.000 1.098 246 F HN -0.212 nan 8.300 nan 0.000 0.586 247 R N 0.575 121.188 120.500 0.189 0.000 2.784 247 R HA 0.036 4.397 4.340 0.035 0.000 0.266 247 R C -0.194 176.207 176.300 0.169 0.000 1.044 247 R CA -0.636 55.535 56.100 0.119 0.000 1.151 247 R CB 0.137 30.482 30.300 0.075 0.000 1.037 247 R HN -0.090 nan 8.270 nan 0.000 0.478 248 D N 1.210 121.684 120.400 0.123 0.000 2.487 248 D HA -0.080 4.581 4.640 0.035 0.000 0.243 248 D C -0.143 176.211 176.300 0.090 0.000 1.154 248 D CA 0.874 54.955 54.000 0.135 0.000 0.876 248 D CB 0.144 40.991 40.800 0.079 0.000 1.161 248 D HN 0.687 nan 8.370 nan 0.000 0.478 249 N N 1.577 120.317 118.700 0.067 0.000 2.782 249 N HA -0.132 4.629 4.740 0.035 0.000 0.251 249 N C 0.455 175.914 175.510 -0.086 0.000 1.101 249 N CA 1.044 54.069 53.050 -0.041 0.000 0.764 249 N CB -1.449 37.023 38.487 -0.025 0.000 1.122 249 N HN 0.521 nan 8.380 nan 0.000 0.561 250 G N -0.089 108.676 108.800 -0.058 0.000 2.563 250 G HA2 0.325 4.306 3.960 0.035 0.000 0.283 250 G HA3 0.325 4.306 3.960 0.035 0.000 0.283 250 G C 1.138 175.869 174.900 -0.282 0.000 1.309 250 G CA 0.438 45.488 45.100 -0.084 0.000 1.022 250 G HN 0.228 nan 8.290 nan 0.000 0.501 251 T N -2.494 111.900 114.554 -0.268 0.000 3.113 251 T HA -0.155 4.217 4.350 0.035 0.000 0.263 251 T C 1.821 176.165 174.700 -0.593 0.000 1.143 251 T CA 1.591 63.497 62.100 -0.323 0.000 1.090 251 T CB -0.501 68.284 68.868 -0.138 0.000 0.922 251 T HN 0.659 nan 8.240 nan 0.000 0.521 252 Y N 1.144 120.827 120.300 -1.027 0.000 2.403 252 Y HA 0.240 4.810 4.550 0.032 0.000 0.291 252 Y C 1.706 177.365 175.900 -0.401 0.000 1.143 252 Y CA 0.256 57.655 58.100 -1.168 0.000 1.257 252 Y CB -0.733 37.054 38.460 -1.122 0.000 0.984 252 Y HN 0.208 nan 8.280 nan 0.000 0.550 253 L N 0.879 121.552 121.223 -0.916 0.000 2.418 253 L HA 0.031 4.392 4.340 0.035 0.000 0.218 253 L C 1.532 178.234 176.870 -0.279 0.000 1.125 253 L CA 0.287 54.768 54.840 -0.599 0.000 0.835 253 L CB -0.552 41.121 42.059 -0.642 0.000 0.953 253 L HN 0.320 nan 8.230 nan 0.000 0.454 254 S N -0.897 114.649 115.700 -0.257 0.000 2.596 254 S HA -0.062 4.429 4.470 0.035 0.000 0.260 254 S C 1.135 175.668 174.600 -0.112 0.000 1.336 254 S CA -0.352 57.749 58.200 -0.164 0.000 0.993 254 S CB 1.102 64.200 63.200 -0.170 0.000 0.923 254 S HN 0.278 nan 8.310 nan 0.000 0.567 255 E N 1.068 121.216 120.200 -0.086 0.000 2.058 255 E HA -0.218 4.153 4.350 0.035 0.000 0.194 255 E C 1.858 178.335 176.600 -0.205 0.000 0.997 255 E CA 1.450 57.821 56.400 -0.049 0.000 0.801 255 E CB -0.188 29.532 29.700 0.032 0.000 0.746 255 E HN 0.732 nan 8.360 nan 0.000 0.450 256 K N -0.494 119.627 120.400 -0.464 0.000 2.057 256 K HA -0.096 4.245 4.320 0.035 0.000 0.207 256 K C 2.134 178.550 176.600 -0.305 0.000 1.049 256 K CA 1.106 56.865 56.287 -0.879 0.000 0.931 256 K CB -0.291 31.651 32.500 -0.929 0.000 0.714 256 K HN 0.227 nan 8.250 nan 0.000 0.440 257 G N 1.247 109.970 108.800 -0.129 0.000 2.421 257 G HA2 -0.257 3.725 3.960 0.035 0.000 0.216 257 G HA3 -0.257 3.725 3.960 0.035 0.000 0.216 257 G C 1.407 176.381 174.900 0.123 0.000 1.171 257 G CA 0.550 45.700 45.100 0.084 0.000 0.775 257 G HN 0.198 nan 8.290 nan 0.000 0.543 258 R N -0.799 119.750 120.500 0.083 0.000 2.081 258 R HA -0.054 4.307 4.340 0.035 0.000 0.235 258 R C 2.319 178.737 176.300 0.195 0.000 1.131 258 R CA 1.314 57.521 56.100 0.178 0.000 0.960 258 R CB -0.578 29.837 30.300 0.190 0.000 0.856 258 R HN 0.437 nan 8.270 nan 0.000 0.436 259 F N 0.912 120.901 119.950 0.065 0.000 2.102 259 F HA -0.231 4.315 4.527 0.033 0.000 0.298 259 F C 2.076 178.015 175.800 0.232 0.000 1.105 259 F CA 1.361 59.451 58.000 0.150 0.000 1.239 259 F CB -0.423 38.661 39.000 0.140 0.000 0.991 259 F HN -0.075 nan 8.300 nan 0.000 0.474 260 F N 0.793 120.842 119.950 0.164 0.000 2.102 260 F HA -0.179 4.373 4.527 0.042 0.000 0.298 260 F C 1.889 177.682 175.800 -0.011 0.000 1.105 260 F CA 1.842 59.926 58.000 0.141 0.000 1.239 260 F CB -0.748 38.215 39.000 -0.062 0.000 0.991 260 F HN -0.028 nan 8.300 nan 0.000 0.474 261 L N 0.039 121.056 121.223 -0.343 0.000 2.083 261 L HA -0.186 4.175 4.340 0.035 0.000 0.209 261 L C 2.828 179.369 176.870 -0.547 0.000 1.083 261 L CA 1.144 55.562 54.840 -0.705 0.000 0.752 261 L CB -1.247 40.145 42.059 -1.111 0.000 0.899 261 L HN 0.281 nan 8.230 nan 0.000 0.433 262 A N -0.447 122.241 122.820 -0.220 0.000 1.902 262 A HA -0.280 4.061 4.320 0.035 0.000 0.217 262 A C 2.009 179.564 177.584 -0.049 0.000 1.181 262 A CA 1.659 53.733 52.037 0.062 0.000 0.623 262 A CB -1.076 18.002 19.000 0.129 0.000 0.818 262 A HN 0.639 nan 8.150 nan 0.000 0.443 263 W N -0.730 120.369 121.300 -0.336 0.000 2.355 263 W HA -0.243 4.436 4.660 0.033 0.000 0.309 263 W C 2.019 178.451 176.519 -0.145 0.000 1.206 263 W CA 2.061 59.245 57.345 -0.269 0.000 1.284 263 W CB -0.585 28.708 29.460 -0.279 0.000 1.145 263 W HN 0.432 nan 8.180 nan 0.000 0.502 264 Y N 1.754 121.744 120.300 -0.516 0.000 2.163 264 Y HA -0.220 4.354 4.550 0.041 0.000 0.288 264 Y C 2.944 178.630 175.900 -0.356 0.000 1.136 264 Y CA 2.903 60.569 58.100 -0.724 0.000 1.147 264 Y CB -0.920 37.005 38.460 -0.892 0.000 0.987 264 Y HN 0.064 nan 8.280 nan 0.000 0.509 265 S N -0.313 115.298 115.700 -0.148 0.000 2.387 265 S HA -0.146 4.345 4.470 0.035 0.000 0.226 265 S C 1.766 176.313 174.600 -0.087 0.000 1.026 265 S CA 1.136 59.302 58.200 -0.057 0.000 0.972 265 S CB -0.587 62.680 63.200 0.112 0.000 0.814 265 S HN 0.458 nan 8.310 nan 0.000 0.477 266 N N 2.738 121.370 118.700 -0.114 0.000 2.166 266 N HA -0.008 4.753 4.740 0.035 0.000 0.186 266 N C 1.498 176.916 175.510 -0.153 0.000 1.019 266 N CA 1.032 54.023 53.050 -0.097 0.000 0.856 266 N CB -0.838 37.603 38.487 -0.077 0.000 0.993 266 N HN 0.398 nan 8.380 nan 0.000 0.426 267 N N 0.966 119.484 118.700 -0.303 0.000 2.166 267 N HA -0.043 4.718 4.740 0.035 0.000 0.186 267 N C 1.803 177.199 175.510 -0.190 0.000 1.019 267 N CA 0.449 53.323 53.050 -0.293 0.000 0.856 267 N CB -0.271 37.907 38.487 -0.515 0.000 0.993 267 N HN 0.271 nan 8.380 nan 0.000 0.426 268 L N 0.489 121.572 121.223 -0.233 0.000 2.027 268 L HA -0.102 4.259 4.340 0.035 0.000 0.206 268 L C 2.163 179.020 176.870 -0.021 0.000 1.074 268 L CA 0.812 55.539 54.840 -0.190 0.000 0.745 268 L CB -0.358 41.556 42.059 -0.241 0.000 0.898 268 L HN 0.130 nan 8.230 nan 0.000 0.433 269 I N -0.098 120.461 120.570 -0.019 0.000 2.151 269 I HA -0.362 3.829 4.170 0.035 0.000 0.243 269 I C 2.567 178.701 176.117 0.028 0.000 1.080 269 I CA 1.579 62.889 61.300 0.017 0.000 1.339 269 I CB -0.332 37.676 38.000 0.014 0.000 1.039 269 I HN 0.249 nan 8.210 nan 0.000 0.409 270 K N -0.506 119.905 120.400 0.019 0.000 2.057 270 K HA -0.247 4.094 4.320 0.035 0.000 0.207 270 K C 2.160 178.801 176.600 0.068 0.000 1.049 270 K CA 1.575 57.885 56.287 0.039 0.000 0.931 270 K CB -0.418 32.097 32.500 0.025 0.000 0.714 270 K HN 0.336 nan 8.250 nan 0.000 0.440 271 H N 0.550 119.597 119.070 -0.039 0.000 2.319 271 H HA -0.110 4.468 4.556 0.037 0.000 0.297 271 H C 2.021 177.335 175.328 -0.024 0.000 1.097 271 H CA 2.165 58.197 56.048 -0.027 0.000 1.285 271 H CB -0.586 29.144 29.762 -0.053 0.000 1.368 271 H HN 0.238 nan 8.280 nan 0.000 0.495 272 G N -0.513 108.257 108.800 -0.051 0.000 2.421 272 G HA2 -0.321 3.660 3.960 0.035 0.000 0.216 272 G HA3 -0.321 3.660 3.960 0.035 0.000 0.216 272 G C 1.595 176.421 174.900 -0.123 0.000 1.171 272 G CA 0.990 46.011 45.100 -0.131 0.000 0.775 272 G HN 0.534 nan 8.290 nan 0.000 0.543 273 D N 0.827 121.212 120.400 -0.024 0.000 2.104 273 D HA -0.148 4.513 4.640 0.035 0.000 0.194 273 D C 2.747 179.047 176.300 -0.000 0.000 0.994 273 D CA 1.413 55.446 54.000 0.054 0.000 0.830 273 D CB -0.194 40.678 40.800 0.121 0.000 0.959 273 D HN 0.473 nan 8.370 nan 0.000 0.452 274 R N 0.303 120.795 120.500 -0.013 0.000 2.115 274 R HA -0.020 4.341 4.340 0.035 0.000 0.226 274 R C 2.396 178.659 176.300 -0.061 0.000 1.100 274 R CA 1.093 57.187 56.100 -0.010 0.000 0.980 274 R CB -0.730 29.576 30.300 0.010 0.000 0.875 274 R HN 0.276 nan 8.270 nan 0.000 0.445 275 I N 1.374 121.866 120.570 -0.130 0.000 2.406 275 I HA -0.163 4.028 4.170 0.035 0.000 0.249 275 I C 2.316 178.343 176.117 -0.150 0.000 1.122 275 I CA 0.838 62.056 61.300 -0.137 0.000 1.431 275 I CB -0.138 37.728 38.000 -0.223 0.000 1.087 275 I HN 0.075 nan 8.210 nan 0.000 0.424 276 L N 0.356 121.424 121.223 -0.259 0.000 2.093 276 L HA -0.237 4.124 4.340 0.035 0.000 0.208 276 L C 2.163 178.815 176.870 -0.363 0.000 1.085 276 L CA 1.378 55.975 54.840 -0.405 0.000 0.755 276 L CB -0.564 41.053 42.059 -0.737 0.000 0.904 276 L HN 0.251 nan 8.230 nan 0.000 0.435 277 D N -0.162 120.102 120.400 -0.227 0.000 2.123 277 D HA -0.215 4.446 4.640 0.035 0.000 0.196 277 D C 2.125 178.453 176.300 0.047 0.000 0.992 277 D CA 1.159 55.202 54.000 0.072 0.000 0.833 277 D CB 0.195 41.089 40.800 0.156 0.000 0.954 277 D HN 0.177 nan 8.370 nan 0.000 0.455 278 E N 0.088 120.294 120.200 0.009 0.000 2.077 278 E HA -0.137 4.234 4.350 0.035 0.000 0.193 278 E C 2.158 178.782 176.600 0.040 0.000 0.989 278 E CA 1.041 57.453 56.400 0.021 0.000 0.800 278 E CB -0.540 29.165 29.700 0.009 0.000 0.746 278 E HN 0.382 nan 8.360 nan 0.000 0.452 279 A N 2.191 125.043 122.820 0.054 0.000 1.902 279 A HA -0.222 4.119 4.320 0.035 0.000 0.217 279 A C 2.079 179.793 177.584 0.216 0.000 1.181 279 A CA 1.685 53.819 52.037 0.162 0.000 0.623 279 A CB -0.720 18.364 19.000 0.140 0.000 0.818 279 A HN 0.263 nan 8.150 nan 0.000 0.443 280 N N 0.005 118.788 118.700 0.137 0.000 2.120 280 N HA -0.182 4.579 4.740 0.035 0.000 0.188 280 N C 1.671 177.266 175.510 0.142 0.000 1.024 280 N CA 1.712 54.863 53.050 0.168 0.000 0.852 280 N CB -0.229 38.369 38.487 0.185 0.000 1.003 280 N HN 0.528 nan 8.380 nan 0.000 0.424 281 K N 0.303 120.758 120.400 0.092 0.000 2.097 281 K HA -0.051 4.290 4.320 0.035 0.000 0.206 281 K C 2.100 178.708 176.600 0.012 0.000 1.049 281 K CA 0.830 57.150 56.287 0.055 0.000 0.933 281 K CB 0.017 32.539 32.500 0.037 0.000 0.717 281 K HN 0.041 nan 8.250 nan 0.000 0.442 282 V N 0.514 120.394 119.914 -0.056 0.000 2.295 282 V HA -0.204 3.937 4.120 0.035 0.000 0.246 282 V C 1.558 177.449 176.094 -0.338 0.000 1.049 282 V CA 1.695 63.831 62.300 -0.273 0.000 1.024 282 V CB -0.362 31.162 31.823 -0.498 0.000 0.648 282 V HN 0.177 nan 8.190 nan 0.000 0.447 283 F N -0.779 119.236 119.950 0.109 0.000 2.693 283 F HA 0.356 4.904 4.527 0.035 0.000 0.303 283 F C 0.646 176.602 175.800 0.260 0.000 1.097 283 F CA -0.805 57.298 58.000 0.172 0.000 1.330 283 F CB -0.237 38.818 39.000 0.091 0.000 1.067 283 F HN 0.025 nan 8.300 nan 0.000 0.565 284 L N 1.146 122.527 121.223 0.264 0.000 2.640 284 L HA 0.245 4.606 4.340 0.035 0.000 0.280 284 L C 1.232 178.187 176.870 0.141 0.000 1.229 284 L CA 1.057 56.002 54.840 0.175 0.000 0.919 284 L CB -0.130 41.990 42.059 0.100 0.000 1.168 284 L HN 0.499 nan 8.230 nan 0.000 0.496 285 G N 2.273 111.120 108.800 0.078 0.000 2.195 285 G HA2 -0.319 3.662 3.960 0.035 0.000 0.246 285 G HA3 -0.319 3.662 3.960 0.035 0.000 0.246 285 G C 0.065 174.882 174.900 -0.138 0.000 0.984 285 G CA 0.224 45.292 45.100 -0.054 0.000 0.633 285 G HN 0.605 nan 8.290 nan 0.000 0.525 286 Y N 0.616 120.977 120.300 0.103 0.000 2.307 286 Y HA 0.537 5.108 4.550 0.036 0.000 0.324 286 Y C 1.240 177.191 175.900 0.084 0.000 1.238 286 Y CA -0.274 57.891 58.100 0.108 0.000 1.280 286 Y CB 0.944 39.515 38.460 0.183 0.000 1.248 286 Y HN -0.045 nan 8.280 nan 0.000 0.508 287 K N 2.985 123.513 120.400 0.214 0.000 2.307 287 K HA 0.316 4.658 4.320 0.035 0.000 0.240 287 K C -1.169 175.507 176.600 0.126 0.000 1.214 287 K CA -0.257 56.111 56.287 0.135 0.000 1.149 287 K CB -0.332 32.230 32.500 0.104 0.000 1.668 287 K HN 0.423 nan 8.250 nan 0.000 0.314 288 V N -1.799 118.182 119.914 0.111 0.000 2.962 288 V HA 0.381 4.522 4.120 0.035 0.000 0.313 288 V C -0.787 175.315 176.094 0.013 0.000 1.099 288 V CA -1.280 61.042 62.300 0.038 0.000 0.971 288 V CB 1.886 33.682 31.823 -0.045 0.000 1.028 288 V HN 0.467 nan 8.190 nan 0.000 0.430 289 Q N 2.191 121.980 119.800 -0.019 0.000 2.243 289 Q HA 0.636 4.997 4.340 0.035 0.000 0.252 289 Q C -1.464 174.476 176.000 -0.099 0.000 0.909 289 Q CA -0.677 55.099 55.803 -0.045 0.000 0.922 289 Q CB 1.670 30.395 28.738 -0.022 0.000 1.215 289 Q HN 0.856 nan 8.270 nan 0.000 0.427 290 L N 3.153 124.326 121.223 -0.084 0.000 2.289 290 L HA 0.747 5.108 4.340 0.035 0.000 0.285 290 L C -0.400 176.416 176.870 -0.090 0.000 1.049 290 L CA -0.709 54.068 54.840 -0.104 0.000 0.804 290 L CB 1.453 43.481 42.059 -0.051 0.000 1.195 290 L HN 0.771 nan 8.230 nan 0.000 0.428 291 A N 4.441 127.197 122.820 -0.108 0.000 2.413 291 A HA 0.878 5.219 4.320 0.035 0.000 0.307 291 A C -0.738 176.794 177.584 -0.085 0.000 1.087 291 A CA -0.586 51.399 52.037 -0.085 0.000 0.750 291 A CB 1.823 20.771 19.000 -0.087 0.000 1.296 291 A HN 0.722 nan 8.150 nan 0.000 0.423 292 I N -1.887 118.646 120.570 -0.062 0.000 2.910 292 I HA 0.684 4.875 4.170 0.035 0.000 0.310 292 I C -0.592 175.504 176.117 -0.036 0.000 1.043 292 I CA -0.899 60.368 61.300 -0.056 0.000 1.053 292 I CB 2.107 40.082 38.000 -0.042 0.000 1.242 292 I HN 0.430 nan 8.210 nan 0.000 0.452 293 K N 4.855 125.235 120.400 -0.034 0.000 2.307 293 K HA 0.590 4.932 4.320 0.035 0.000 0.263 293 K C -1.151 175.473 176.600 0.041 0.000 0.973 293 K CA -0.494 55.784 56.287 -0.014 0.000 0.846 293 K CB 2.107 34.575 32.500 -0.053 0.000 1.100 293 K HN 0.554 nan 8.250 nan 0.000 0.438 294 I N 1.659 122.288 120.570 0.097 0.000 2.336 294 I HA 0.084 4.276 4.170 0.035 0.000 0.292 294 I C 0.639 176.863 176.117 0.180 0.000 0.991 294 I CA -0.463 60.939 61.300 0.170 0.000 1.227 294 I CB 1.798 39.873 38.000 0.126 0.000 1.366 294 I HN 0.524 nan 8.210 nan 0.000 0.466 295 S N 3.878 119.745 115.700 0.278 0.000 2.576 295 S HA 0.314 4.805 4.470 0.035 0.000 0.276 295 S C 0.414 175.117 174.600 0.171 0.000 1.339 295 S CA -0.512 57.819 58.200 0.219 0.000 1.039 295 S CB 0.716 64.131 63.200 0.359 0.000 0.902 295 S HN 0.793 nan 8.310 nan 0.000 0.516 296 G N 4.375 113.140 108.800 -0.057 0.000 2.696 296 G HA2 0.446 4.427 3.960 0.035 0.000 0.329 296 G HA3 0.446 4.427 3.960 0.035 0.000 0.329 296 G C -0.194 174.726 174.900 0.033 0.000 0.973 296 G CA -0.489 44.550 45.100 -0.102 0.000 1.257 296 G HN 0.675 nan 8.290 nan 0.000 0.456 297 I N 3.953 124.502 120.570 -0.036 0.000 2.257 297 I HA 0.125 4.316 4.170 0.035 0.000 0.290 297 I C 1.112 176.995 176.117 -0.391 0.000 1.137 297 I CA -0.586 60.342 61.300 -0.620 0.000 1.255 297 I CB -0.331 37.355 38.000 -0.523 0.000 1.485 297 I HN 0.732 nan 8.210 nan 0.000 0.534 298 H N 2.870 121.860 119.070 -0.134 0.000 2.512 298 H HA 0.000 4.579 4.556 0.037 0.000 0.279 298 H C 0.369 175.783 175.328 0.143 0.000 0.999 298 H CA -0.475 55.616 56.048 0.072 0.000 1.283 298 H CB -0.436 29.402 29.762 0.126 0.000 1.421 298 H HN 0.533 nan 8.280 nan 0.000 0.554 299 W N -0.273 120.890 121.300 -0.229 0.000 2.238 299 W HA 0.295 4.973 4.660 0.030 0.000 0.321 299 W C -0.510 175.875 176.519 -0.222 0.000 1.293 299 W CA -1.349 55.794 57.345 -0.337 0.000 1.204 299 W CB 0.235 29.348 29.460 -0.579 0.000 1.167 299 W HN 0.336 nan 8.180 nan 0.000 0.553 300 W N 0.551 121.903 121.300 0.086 0.000 2.303 300 W HA -0.380 4.307 4.660 0.045 0.000 0.267 300 W C 1.370 177.811 176.519 -0.130 0.000 1.054 300 W CA 0.655 57.974 57.345 -0.042 0.000 0.501 300 W CB -2.374 27.025 29.460 -0.102 0.000 2.076 300 W HN 0.706 nan 8.180 nan 0.000 1.317 301 Y N 1.207 121.470 120.300 -0.062 0.000 2.333 301 Y HA -0.152 4.419 4.550 0.035 0.000 0.290 301 Y C 2.154 177.857 175.900 -0.327 0.000 1.144 301 Y CA 2.345 60.336 58.100 -0.181 0.000 1.228 301 Y CB -0.091 38.395 38.460 0.042 0.000 0.985 301 Y HN -0.008 nan 8.280 nan 0.000 0.542 302 K N 0.088 120.502 120.400 0.023 0.000 2.459 302 K HA 0.060 4.401 4.320 0.035 0.000 0.193 302 K C 0.247 176.827 176.600 -0.035 0.000 1.030 302 K CA 0.544 56.843 56.287 0.019 0.000 1.026 302 K CB 0.161 32.705 32.500 0.073 0.000 0.809 302 K HN 0.192 nan 8.250 nan 0.000 0.504 303 V N -2.226 117.652 119.914 -0.060 0.000 2.834 303 V HA 0.282 4.423 4.120 0.035 0.000 0.313 303 V C -2.212 173.844 176.094 -0.065 0.000 1.060 303 V CA -2.028 60.275 62.300 0.004 0.000 0.989 303 V CB 1.719 33.620 31.823 0.130 0.000 1.041 303 V HN -0.168 nan 8.190 nan 0.000 0.459 304 P HA -0.102 nan 4.420 nan 0.000 0.216 304 P C 1.842 179.226 177.300 0.140 0.000 1.150 304 P CA 2.120 65.304 63.100 0.140 0.000 0.837 304 P CB 0.068 31.882 31.700 0.190 0.000 0.786 305 S N -2.236 113.401 115.700 -0.104 0.000 2.481 305 S HA -0.163 4.328 4.470 0.035 0.000 0.231 305 S C 0.793 175.380 174.600 -0.023 0.000 0.996 305 S CA 0.260 58.186 58.200 -0.457 0.000 0.942 305 S CB -1.395 61.535 63.200 -0.451 0.000 0.768 305 S HN 0.287 nan 8.310 nan 0.000 0.520 306 H N 0.372 119.408 119.070 -0.058 0.000 2.626 306 H HA -0.200 4.377 4.556 0.035 0.000 0.317 306 H C 1.489 176.823 175.328 0.011 0.000 1.140 306 H CA 0.395 56.450 56.048 0.011 0.000 1.134 306 H CB -1.574 28.181 29.762 -0.012 0.000 1.486 306 H HN 0.662 nan 8.280 nan 0.000 0.417 307 A N 0.638 123.444 122.820 -0.023 0.000 1.908 307 A HA -0.071 4.271 4.320 0.035 0.000 0.218 307 A C 2.493 179.922 177.584 -0.258 0.000 1.181 307 A CA 1.942 53.809 52.037 -0.284 0.000 0.627 307 A CB -0.499 17.944 19.000 -0.928 0.000 0.818 307 A HN 0.630 nan 8.150 nan 0.000 0.445 308 A N -0.490 122.258 122.820 -0.120 0.000 1.930 308 A HA -0.110 4.231 4.320 0.035 0.000 0.217 308 A C 1.889 179.378 177.584 -0.160 0.000 1.175 308 A CA 1.536 53.478 52.037 -0.158 0.000 0.627 308 A CB -0.483 18.323 19.000 -0.324 0.000 0.815 308 A HN 0.626 nan 8.150 nan 0.000 0.443 309 E N 0.025 120.204 120.200 -0.036 0.000 2.058 309 E HA -0.183 4.188 4.350 0.035 0.000 0.194 309 E C 1.933 178.617 176.600 0.140 0.000 0.997 309 E CA 1.341 57.823 56.400 0.137 0.000 0.801 309 E CB -0.322 29.559 29.700 0.302 0.000 0.746 309 E HN 0.625 nan 8.360 nan 0.000 0.450 310 L N 0.662 121.990 121.223 0.175 0.000 2.042 310 L HA -0.187 4.175 4.340 0.035 0.000 0.210 310 L C 2.880 179.903 176.870 0.255 0.000 1.076 310 L CA 1.719 56.731 54.840 0.287 0.000 0.749 310 L CB -1.082 41.252 42.059 0.458 0.000 0.893 310 L HN 0.358 nan 8.230 nan 0.000 0.432 311 T N -2.864 111.656 114.554 -0.057 0.000 2.951 311 T HA -0.019 4.353 4.350 0.035 0.000 0.268 311 T C 1.849 176.570 174.700 0.035 0.000 1.073 311 T CA 0.779 62.695 62.100 -0.307 0.000 1.134 311 T CB -0.189 68.325 68.868 -0.590 0.000 0.884 311 T HN 0.298 nan 8.240 nan 0.000 0.479 312 A N 1.136 123.956 122.820 -0.000 0.000 2.066 312 A HA 0.520 4.862 4.320 0.035 0.000 0.218 312 A C 2.100 179.582 177.584 -0.170 0.000 1.157 312 A CA 0.969 52.963 52.037 -0.072 0.000 0.670 312 A CB -0.953 17.938 19.000 -0.181 0.000 0.804 312 A HN 1.429 nan 8.150 nan 0.000 0.453 313 G N -3.125 105.645 108.800 -0.050 0.000 2.159 313 G HA2 -0.148 3.834 3.960 0.035 0.000 0.170 313 G HA3 -0.148 3.834 3.960 0.035 0.000 0.170 313 G C -0.379 174.481 174.900 -0.066 0.000 1.007 313 G CA -0.072 45.005 45.100 -0.038 0.000 0.672 313 G HN 0.320 nan 8.290 nan 0.000 0.507 314 Y N 0.600 120.979 120.300 0.131 0.000 2.504 314 Y HA 0.506 5.078 4.550 0.037 0.000 0.339 314 Y C 0.199 176.122 175.900 0.039 0.000 0.974 314 Y CA -2.537 55.558 58.100 -0.009 0.000 1.232 314 Y CB 0.416 38.841 38.460 -0.058 0.000 1.108 314 Y HN 0.212 nan 8.280 nan 0.000 0.509 315 Y N 4.330 124.645 120.300 0.024 0.000 2.570 315 Y HA 0.235 4.807 4.550 0.038 0.000 0.336 315 Y C -0.504 175.327 175.900 -0.114 0.000 1.284 315 Y CA -1.169 56.934 58.100 0.005 0.000 1.761 315 Y CB -0.475 37.998 38.460 0.022 0.000 1.724 315 Y HN 0.529 nan 8.280 nan 0.000 0.455 316 N N 4.851 123.550 118.700 -0.001 0.000 2.443 316 N HA 0.533 5.295 4.740 0.035 0.000 0.269 316 N C -1.560 173.667 175.510 -0.472 0.000 0.985 316 N CA -0.266 52.601 53.050 -0.305 0.000 0.921 316 N CB 0.778 39.072 38.487 -0.320 0.000 1.195 316 N HN 0.516 nan 8.380 nan 0.000 0.492 317 L N 1.632 122.578 121.223 -0.461 0.000 2.277 317 L HA 0.391 4.752 4.340 0.035 0.000 0.254 317 L C 1.697 178.398 176.870 -0.282 0.000 1.044 317 L CA -0.996 53.625 54.840 -0.366 0.000 0.842 317 L CB 1.373 43.390 42.059 -0.070 0.000 1.422 317 L HN 0.632 nan 8.230 nan 0.000 0.422 318 H N 0.470 119.486 119.070 -0.090 0.000 2.422 318 H HA -0.135 4.442 4.556 0.035 0.000 0.298 318 H C 0.350 175.646 175.328 -0.054 0.000 1.098 318 H CA 1.854 57.883 56.048 -0.032 0.000 1.315 318 H CB -0.137 29.651 29.762 0.044 0.000 1.382 318 H HN 0.752 nan 8.280 nan 0.000 0.523 319 D N -0.460 119.523 120.400 -0.695 0.000 2.440 319 D HA 0.123 4.784 4.640 0.035 0.000 0.216 319 D C 0.424 176.530 176.300 -0.325 0.000 1.150 319 D CA -0.404 53.287 54.000 -0.516 0.000 0.832 319 D CB 0.115 40.526 40.800 -0.647 0.000 0.992 319 D HN 0.266 nan 8.370 nan 0.000 0.502 320 R N 0.787 121.100 120.500 -0.312 0.000 2.518 320 R HA 0.144 4.505 4.340 0.035 0.000 0.296 320 R C -1.626 174.500 176.300 -0.291 0.000 1.080 320 R CA -0.503 55.408 56.100 -0.314 0.000 0.922 320 R CB 1.102 31.137 30.300 -0.442 0.000 1.184 320 R HN -0.189 nan 8.270 nan 0.000 0.445 321 D N 3.291 123.559 120.400 -0.220 0.000 2.402 321 D HA 0.116 4.777 4.640 0.035 0.000 0.235 321 D C 0.843 177.008 176.300 -0.226 0.000 1.226 321 D CA 0.219 54.112 54.000 -0.178 0.000 0.918 321 D CB 1.199 41.936 40.800 -0.105 0.000 1.043 321 D HN 0.843 nan 8.370 nan 0.000 0.506 322 G N 2.327 110.917 108.800 -0.350 0.000 2.848 322 G HA2 -0.185 3.796 3.960 0.035 0.000 0.208 322 G HA3 -0.185 3.796 3.960 0.035 0.000 0.208 322 G C 0.656 175.194 174.900 -0.603 0.000 1.152 322 G CA 0.367 45.204 45.100 -0.438 0.000 0.789 322 G HN 0.448 nan 8.290 nan 0.000 0.531 323 Y N -0.972 119.253 120.300 -0.126 0.000 2.558 323 Y HA 0.310 4.881 4.550 0.035 0.000 0.273 323 Y C 2.563 178.380 175.900 -0.139 0.000 1.100 323 Y CA -0.242 57.750 58.100 -0.180 0.000 1.276 323 Y CB 0.045 38.341 38.460 -0.273 0.000 1.196 323 Y HN 0.062 nan 8.280 nan 0.000 0.527 324 R N 0.574 121.071 120.500 -0.006 0.000 2.148 324 R HA -0.114 4.248 4.340 0.035 0.000 0.223 324 R C 2.006 178.292 176.300 -0.023 0.000 1.088 324 R CA 1.720 57.809 56.100 -0.017 0.000 0.985 324 R CB -0.204 30.080 30.300 -0.026 0.000 0.880 324 R HN 0.491 nan 8.270 nan 0.000 0.451 325 T N -0.668 113.859 114.554 -0.045 0.000 2.652 325 T HA -0.150 4.222 4.350 0.035 0.000 0.267 325 T C 1.981 176.677 174.700 -0.007 0.000 1.039 325 T CA 1.447 63.529 62.100 -0.030 0.000 1.153 325 T CB -0.467 68.375 68.868 -0.043 0.000 0.863 325 T HN 0.179 nan 8.240 nan 0.000 0.428 326 I N 2.252 122.818 120.570 -0.006 0.000 2.163 326 I HA -0.184 4.007 4.170 0.035 0.000 0.243 326 I C 3.255 179.383 176.117 0.019 0.000 1.085 326 I CA 1.408 62.718 61.300 0.018 0.000 1.347 326 I CB -0.718 37.300 38.000 0.030 0.000 1.044 326 I HN 0.370 nan 8.210 nan 0.000 0.408 327 A N 0.651 123.475 122.820 0.007 0.000 1.902 327 A HA -0.264 4.077 4.320 0.035 0.000 0.217 327 A C 2.413 180.009 177.584 0.020 0.000 1.181 327 A CA 1.954 53.995 52.037 0.007 0.000 0.623 327 A CB -0.675 18.322 19.000 -0.006 0.000 0.818 327 A HN 0.371 nan 8.150 nan 0.000 0.443 328 R N -1.061 119.449 120.500 0.016 0.000 2.096 328 R HA -0.120 4.241 4.340 0.035 0.000 0.235 328 R C 2.207 178.519 176.300 0.020 0.000 1.127 328 R CA 1.708 57.818 56.100 0.016 0.000 0.968 328 R CB -0.283 30.023 30.300 0.009 0.000 0.861 328 R HN 0.518 nan 8.270 nan 0.000 0.440 329 M N 0.551 120.171 119.600 0.032 0.000 2.213 329 M HA -0.127 4.375 4.480 0.035 0.000 0.263 329 M C 1.575 177.937 176.300 0.103 0.000 1.062 329 M CA 1.620 56.953 55.300 0.056 0.000 1.105 329 M CB -0.202 32.437 32.600 0.065 0.000 1.385 329 M HN 0.301 nan 8.290 nan 0.000 0.417 330 L N -0.191 121.089 121.223 0.095 0.000 2.217 330 L HA -0.169 4.192 4.340 0.035 0.000 0.211 330 L C 2.464 179.392 176.870 0.097 0.000 1.107 330 L CA 0.767 55.689 54.840 0.135 0.000 0.783 330 L CB -0.664 41.435 42.059 0.067 0.000 0.919 330 L HN 0.326 nan 8.230 nan 0.000 0.442 331 K N 1.241 121.662 120.400 0.034 0.000 2.032 331 K HA -0.235 4.106 4.320 0.035 0.000 0.209 331 K C 2.329 178.908 176.600 -0.035 0.000 1.048 331 K CA 1.854 58.145 56.287 0.007 0.000 0.927 331 K CB -0.046 32.456 32.500 0.005 0.000 0.712 331 K HN 0.327 nan 8.250 nan 0.000 0.441 332 R N -0.668 119.761 120.500 -0.119 0.000 2.152 332 R HA -0.136 4.225 4.340 0.035 0.000 0.232 332 R C 1.422 177.586 176.300 -0.226 0.000 1.117 332 R CA 1.608 57.585 56.100 -0.205 0.000 0.981 332 R CB -0.570 29.547 30.300 -0.304 0.000 0.870 332 R HN 0.391 nan 8.270 nan 0.000 0.451 333 H N 0.860 119.936 119.070 0.009 0.000 2.551 333 H HA 0.204 4.781 4.556 0.035 0.000 0.266 333 H C 0.293 175.625 175.328 0.007 0.000 0.977 333 H CA 0.486 56.541 56.048 0.012 0.000 1.163 333 H CB 0.130 29.898 29.762 0.009 0.000 1.381 333 H HN 0.192 nan 8.280 nan 0.000 0.581 334 R N -0.121 120.424 120.500 0.076 0.000 3.516 334 R HA -0.142 4.220 4.340 0.035 0.000 0.271 334 R C 0.027 176.346 176.300 0.031 0.000 1.098 334 R CA 0.324 56.447 56.100 0.037 0.000 0.732 334 R CB -1.726 28.587 30.300 0.020 0.000 1.152 334 R HN 0.286 nan 8.270 nan 0.000 0.455 335 A N 0.862 123.720 122.820 0.063 0.000 2.322 335 A HA 0.586 4.927 4.320 0.035 0.000 0.269 335 A C 0.718 178.294 177.584 -0.013 0.000 1.094 335 A CA 0.094 52.145 52.037 0.023 0.000 0.807 335 A CB 0.772 19.795 19.000 0.039 0.000 1.047 335 A HN 0.385 nan 8.150 nan 0.000 0.487 336 S N 0.789 116.464 115.700 -0.043 0.000 2.690 336 S HA 0.733 5.224 4.470 0.035 0.000 0.291 336 S C -0.343 174.239 174.600 -0.030 0.000 1.138 336 S CA -0.601 57.570 58.200 -0.048 0.000 1.013 336 S CB 0.797 63.951 63.200 -0.077 0.000 1.053 336 S HN 0.505 nan 8.310 nan 0.000 0.539 337 I N 2.323 122.877 120.570 -0.026 0.000 2.331 337 I HA 0.306 4.497 4.170 0.035 0.000 0.292 337 I C -0.198 175.925 176.117 0.010 0.000 0.998 337 I CA -0.473 60.814 61.300 -0.022 0.000 1.267 337 I CB 1.116 39.076 38.000 -0.067 0.000 1.386 337 I HN 0.626 nan 8.210 nan 0.000 0.476 338 N N 7.021 125.734 118.700 0.021 0.000 2.501 338 N HA 0.307 5.068 4.740 0.035 0.000 0.245 338 N C -1.351 174.214 175.510 0.092 0.000 0.974 338 N CA -0.240 52.831 53.050 0.035 0.000 0.941 338 N CB 0.667 39.142 38.487 -0.021 0.000 1.122 338 N HN 0.297 nan 8.380 nan 0.000 0.507 339 F N 1.629 121.534 119.950 -0.075 0.000 2.483 339 F HA 0.570 5.118 4.527 0.034 0.000 0.329 339 F C 0.830 176.599 175.800 -0.051 0.000 1.064 339 F CA -0.402 57.542 58.000 -0.093 0.000 0.986 339 F CB 1.768 40.677 39.000 -0.152 0.000 1.218 339 F HN 0.293 nan 8.300 nan 0.000 0.484 340 T N 0.664 114.646 114.554 -0.954 0.000 2.855 340 T HA 0.322 4.693 4.350 0.035 0.000 0.275 340 T C 0.099 174.464 174.700 -0.559 0.000 1.022 340 T CA 0.318 62.076 62.100 -0.570 0.000 0.977 340 T CB 0.452 69.067 68.868 -0.422 0.000 1.559 340 T HN 0.875 nan 8.240 nan 0.000 0.600 341 C N 0.296 119.427 119.300 -0.280 0.000 4.326 341 C HA -0.161 4.321 4.460 0.035 0.000 0.284 341 C C 2.032 176.986 174.990 -0.060 0.000 1.419 341 C CA 0.070 58.987 59.018 -0.167 0.000 1.920 341 C CB -2.868 24.769 27.740 -0.172 0.000 1.306 341 C HN 0.911 nan 8.230 nan 0.000 0.786 342 A N 0.464 123.305 122.820 0.035 0.000 2.216 342 A HA -0.053 4.288 4.320 0.035 0.000 0.214 342 A C 2.101 179.711 177.584 0.043 0.000 1.160 342 A CA 1.808 53.916 52.037 0.118 0.000 0.725 342 A CB -0.180 19.001 19.000 0.301 0.000 0.784 342 A HN 0.876 nan 8.150 nan 0.000 0.472 343 E N -0.657 119.534 120.200 -0.017 0.000 2.476 343 E HA 0.125 4.497 4.350 0.035 0.000 0.199 343 E C 0.258 176.789 176.600 -0.115 0.000 1.021 343 E CA -0.055 56.291 56.400 -0.090 0.000 0.907 343 E CB -0.224 29.397 29.700 -0.132 0.000 0.974 343 E HN 0.595 nan 8.360 nan 0.000 0.489 344 M N 2.039 121.569 119.600 -0.117 0.000 2.233 344 M HA 0.358 4.859 4.480 0.035 0.000 0.355 344 M C 0.084 176.309 176.300 -0.125 0.000 1.191 344 M CA -0.512 54.698 55.300 -0.150 0.000 1.101 344 M CB 1.416 33.882 32.600 -0.223 0.000 1.592 344 M HN -0.296 nan 8.290 nan 0.000 0.461 345 R N 1.520 121.951 120.500 -0.114 0.000 2.540 345 R HA 0.209 4.570 4.340 0.035 0.000 0.287 345 R C 0.115 176.357 176.300 -0.097 0.000 0.980 345 R CA -0.543 55.501 56.100 -0.094 0.000 0.966 345 R CB 0.826 31.086 30.300 -0.068 0.000 1.106 345 R HN 0.644 nan 8.270 nan 0.000 0.480 346 D N 0.557 120.907 120.400 -0.082 0.000 2.149 346 D HA -0.155 4.507 4.640 0.035 0.000 0.198 346 D C 1.498 177.771 176.300 -0.044 0.000 0.990 346 D CA 1.977 55.939 54.000 -0.063 0.000 0.839 346 D CB 0.046 40.819 40.800 -0.046 0.000 0.948 346 D HN 0.554 nan 8.370 nan 0.000 0.460 347 S N 0.042 115.719 115.700 -0.038 0.000 2.474 347 S HA -0.100 4.391 4.470 0.035 0.000 0.235 347 S C 1.561 176.142 174.600 -0.031 0.000 0.997 347 S CA 0.567 58.752 58.200 -0.025 0.000 0.949 347 S CB -0.282 62.909 63.200 -0.016 0.000 0.766 347 S HN 0.299 nan 8.310 nan 0.000 0.517 348 E N 0.753 120.923 120.200 -0.050 0.000 2.427 348 E HA 0.057 4.428 4.350 0.035 0.000 0.196 348 E C 0.201 176.767 176.600 -0.056 0.000 1.028 348 E CA 0.294 56.659 56.400 -0.060 0.000 0.864 348 E CB 0.122 29.771 29.700 -0.086 0.000 0.813 348 E HN 0.565 nan 8.360 nan 0.000 0.514 349 Q N 0.560 120.336 119.800 -0.039 0.000 2.214 349 Q HA 0.218 4.579 4.340 0.035 0.000 0.251 349 Q C 0.019 176.030 176.000 0.020 0.000 0.936 349 Q CA -0.453 55.352 55.803 0.003 0.000 0.894 349 Q CB 1.515 30.278 28.738 0.042 0.000 1.252 349 Q HN 0.037 nan 8.270 nan 0.000 0.448 350 S N -0.033 115.699 115.700 0.053 0.000 2.576 350 S HA 0.125 4.616 4.470 0.035 0.000 0.276 350 S C 0.830 175.429 174.600 -0.002 0.000 1.339 350 S CA -0.212 58.004 58.200 0.027 0.000 1.039 350 S CB 0.833 64.061 63.200 0.048 0.000 0.902 350 S HN 0.484 nan 8.310 nan 0.000 0.516 351 S N 2.142 117.833 115.700 -0.015 0.000 2.368 351 S HA -0.153 4.338 4.470 0.035 0.000 0.225 351 S C 2.255 176.820 174.600 -0.059 0.000 1.030 351 S CA 1.367 59.552 58.200 -0.025 0.000 0.999 351 S CB -0.441 62.753 63.200 -0.010 0.000 0.844 351 S HN 0.925 nan 8.310 nan 0.000 0.459 352 Q N 1.332 121.091 119.800 -0.068 0.000 2.291 352 Q HA 0.074 4.435 4.340 0.035 0.000 0.205 352 Q C 1.822 177.642 176.000 -0.300 0.000 0.970 352 Q CA 1.317 57.060 55.803 -0.100 0.000 0.876 352 Q CB -0.541 28.164 28.738 -0.055 0.000 0.935 352 Q HN 0.522 nan 8.270 nan 0.000 0.455 353 A N 0.878 123.489 122.820 -0.348 0.000 2.206 353 A HA 0.122 4.463 4.320 0.035 0.000 0.211 353 A C 0.975 178.110 177.584 -0.747 0.000 1.158 353 A CA 0.350 51.997 52.037 -0.650 0.000 0.761 353 A CB -0.196 18.613 19.000 -0.318 0.000 0.801 353 A HN 0.343 nan 8.150 nan 0.000 0.473 354 M N -0.068 119.283 119.600 -0.415 0.000 2.206 354 M HA -0.140 4.361 4.480 0.035 0.000 0.197 354 M C 0.289 176.530 176.300 -0.098 0.000 0.375 354 M CA 0.984 56.155 55.300 -0.216 0.000 0.410 354 M CB -2.628 29.881 32.600 -0.152 0.000 1.204 354 M HN 0.507 nan 8.290 nan 0.000 0.932 355 S N 0.098 115.791 115.700 -0.013 0.000 2.462 355 S HA 0.779 5.270 4.470 0.035 0.000 0.294 355 S C 0.314 174.978 174.600 0.106 0.000 1.144 355 S CA 0.183 58.470 58.200 0.145 0.000 1.088 355 S CB 1.459 64.842 63.200 0.306 0.000 1.009 355 S HN 0.573 nan 8.310 nan 0.000 0.484 356 A N 6.774 129.649 122.820 0.091 0.000 3.297 356 A HA 0.506 4.848 4.320 0.035 0.000 0.304 356 A C -1.778 175.676 177.584 -0.216 0.000 0.963 356 A CA -1.091 50.909 52.037 -0.062 0.000 0.935 356 A CB 0.420 19.413 19.000 -0.011 0.000 1.093 356 A HN 0.684 nan 8.150 nan 0.000 0.480 357 P HA -0.214 nan 4.420 nan 0.000 0.216 357 P C 1.072 178.259 177.300 -0.188 0.000 1.150 357 P CA 1.368 64.369 63.100 -0.164 0.000 0.837 357 P CB 0.351 31.898 31.700 -0.254 0.000 0.786 358 E N 0.101 120.191 120.200 -0.184 0.000 2.051 358 E HA -0.196 4.175 4.350 0.035 0.000 0.192 358 E C 2.012 178.447 176.600 -0.275 0.000 0.991 358 E CA 1.227 57.515 56.400 -0.187 0.000 0.799 358 E CB -0.305 29.308 29.700 -0.144 0.000 0.748 358 E HN 0.303 nan 8.360 nan 0.000 0.449 359 E N 0.675 120.698 120.200 -0.296 0.000 2.107 359 E HA -0.145 4.226 4.350 0.035 0.000 0.191 359 E C 1.869 178.211 176.600 -0.430 0.000 0.982 359 E CA 0.340 56.553 56.400 -0.310 0.000 0.809 359 E CB -0.119 29.473 29.700 -0.179 0.000 0.756 359 E HN 0.086 nan 8.360 nan 0.000 0.459 360 L N 0.170 120.995 121.223 -0.664 0.000 2.017 360 L HA -0.146 4.215 4.340 0.035 0.000 0.208 360 L C 2.042 178.682 176.870 -0.382 0.000 1.073 360 L CA 1.455 55.959 54.840 -0.561 0.000 0.745 360 L CB -0.579 41.214 42.059 -0.443 0.000 0.894 360 L HN 0.015 nan 8.230 nan 0.000 0.432 361 V N -0.160 119.629 119.914 -0.210 0.000 2.282 361 V HA -0.383 3.758 4.120 0.035 0.000 0.249 361 V C 2.632 178.505 176.094 -0.368 0.000 1.057 361 V CA 2.264 64.473 62.300 -0.151 0.000 1.032 361 V CB -0.752 31.073 31.823 0.003 0.000 0.645 361 V HN 0.594 nan 8.190 nan 0.000 0.447 362 Q N -0.691 118.814 119.800 -0.493 0.000 2.084 362 Q HA -0.292 4.069 4.340 0.035 0.000 0.202 362 Q C 2.386 178.170 176.000 -0.360 0.000 0.978 362 Q CA 2.002 57.403 55.803 -0.671 0.000 0.844 362 Q CB -0.232 27.988 28.738 -0.863 0.000 0.898 362 Q HN 0.705 nan 8.270 nan 0.000 0.426 363 Q N 0.279 119.902 119.800 -0.295 0.000 2.084 363 Q HA -0.161 4.200 4.340 0.035 0.000 0.202 363 Q C 2.058 177.872 176.000 -0.309 0.000 0.978 363 Q CA 1.478 57.163 55.803 -0.198 0.000 0.844 363 Q CB 0.158 28.873 28.738 -0.038 0.000 0.898 363 Q HN 0.246 nan 8.270 nan 0.000 0.426 364 V N 0.753 120.321 119.914 -0.576 0.000 2.307 364 V HA -0.246 3.895 4.120 0.035 0.000 0.245 364 V C 2.281 178.025 176.094 -0.582 0.000 1.045 364 V CA 1.129 62.976 62.300 -0.756 0.000 1.024 364 V CB -0.500 30.402 31.823 -1.534 0.000 0.651 364 V HN 0.303 nan 8.190 nan 0.000 0.449 365 L N 0.255 121.123 121.223 -0.591 0.000 2.042 365 L HA -0.149 4.212 4.340 0.035 0.000 0.210 365 L C 2.612 179.040 176.870 -0.738 0.000 1.076 365 L CA 2.037 56.374 54.840 -0.838 0.000 0.749 365 L CB -1.216 40.354 42.059 -0.814 0.000 0.893 365 L HN 0.269 nan 8.230 nan 0.000 0.432 366 S N -0.669 114.906 115.700 -0.208 0.000 2.383 366 S HA -0.130 4.361 4.470 0.035 0.000 0.227 366 S C 2.167 176.813 174.600 0.077 0.000 1.026 366 S CA 0.951 59.254 58.200 0.172 0.000 0.981 366 S CB -0.419 62.813 63.200 0.052 0.000 0.818 366 S HN 0.498 nan 8.310 nan 0.000 0.472 367 A N 1.831 124.602 122.820 -0.082 0.000 1.858 367 A HA 0.056 4.397 4.320 0.035 0.000 0.216 367 A C 2.368 179.941 177.584 -0.019 0.000 1.190 367 A CA 1.786 53.795 52.037 -0.046 0.000 0.617 367 A CB -1.594 17.366 19.000 -0.068 0.000 0.827 367 A HN 0.503 nan 8.150 nan 0.000 0.443 368 G N -1.201 107.520 108.800 -0.131 0.000 2.491 368 G HA2 -0.279 3.703 3.960 0.035 0.000 0.218 368 G HA3 -0.279 3.703 3.960 0.035 0.000 0.218 368 G C 1.385 176.339 174.900 0.089 0.000 1.180 368 G CA 1.092 46.128 45.100 -0.106 0.000 0.774 368 G HN 0.584 nan 8.290 nan 0.000 0.562 369 W N 0.903 122.271 121.300 0.113 0.000 2.363 369 W HA 0.083 4.765 4.660 0.037 0.000 0.296 369 W C 2.745 179.390 176.519 0.210 0.000 1.212 369 W CA 0.641 58.078 57.345 0.154 0.000 1.260 369 W CB -0.693 28.828 29.460 0.101 0.000 1.131 369 W HN 0.238 nan 8.180 nan 0.000 0.530 370 R N 0.130 120.899 120.500 0.448 0.000 2.148 370 R HA -0.104 4.257 4.340 0.035 0.000 0.227 370 R C 1.352 177.769 176.300 0.196 0.000 1.103 370 R CA 0.911 57.204 56.100 0.322 0.000 0.983 370 R CB -0.160 30.272 30.300 0.220 0.000 0.874 370 R HN 0.048 nan 8.270 nan 0.000 0.451 371 E N -0.532 119.762 120.200 0.157 0.000 2.465 371 E HA 0.075 4.446 4.350 0.035 0.000 0.191 371 E C 0.875 177.540 176.600 0.109 0.000 1.053 371 E CA 0.402 56.864 56.400 0.104 0.000 0.869 371 E CB 0.853 30.591 29.700 0.064 0.000 0.977 371 E HN 0.481 nan 8.360 nan 0.000 0.483 372 G N 1.457 110.352 108.800 0.157 0.000 2.143 372 G HA2 -0.286 3.695 3.960 0.035 0.000 0.248 372 G HA3 -0.286 3.695 3.960 0.035 0.000 0.248 372 G C 0.298 175.270 174.900 0.120 0.000 0.991 372 G CA 0.275 45.456 45.100 0.136 0.000 0.689 372 G HN 0.229 nan 8.290 nan 0.000 0.522 373 L N 0.076 121.382 121.223 0.138 0.000 2.399 373 L HA 0.385 4.746 4.340 0.035 0.000 0.266 373 L C 0.496 177.450 176.870 0.140 0.000 1.114 373 L CA -1.149 53.743 54.840 0.087 0.000 0.804 373 L CB 0.461 42.547 42.059 0.045 0.000 1.146 373 L HN -0.012 nan 8.230 nan 0.000 0.451 374 N N 1.041 119.745 118.700 0.008 0.000 2.513 374 N HA 0.248 5.009 4.740 0.035 0.000 0.268 374 N C -0.739 174.814 175.510 0.071 0.000 1.180 374 N CA -0.062 52.980 53.050 -0.013 0.000 0.948 374 N CB 1.494 39.708 38.487 -0.455 0.000 1.083 374 N HN 0.193 nan 8.380 nan 0.000 0.455 375 V N 0.881 120.926 119.914 0.219 0.000 2.588 375 V HA 0.786 4.927 4.120 0.035 0.000 0.304 375 V C -0.013 176.226 176.094 0.240 0.000 1.042 375 V CA -0.875 61.491 62.300 0.110 0.000 0.877 375 V CB 1.464 33.189 31.823 -0.164 0.000 0.996 375 V HN 0.782 nan 8.190 nan 0.000 0.425 376 A N 3.187 126.116 122.820 0.181 0.000 2.430 376 A HA 0.924 5.265 4.320 0.035 0.000 0.300 376 A C -0.815 176.875 177.584 0.176 0.000 1.124 376 A CA -0.440 51.729 52.037 0.220 0.000 0.766 376 A CB 1.848 20.960 19.000 0.187 0.000 1.328 376 A HN 0.831 nan 8.150 nan 0.000 0.424 377 C N -0.435 118.988 119.300 0.206 0.000 3.080 377 C HA 0.777 5.258 4.460 0.035 0.000 0.307 377 C C -0.240 174.714 174.990 -0.059 0.000 1.311 377 C CA -0.443 58.682 59.018 0.179 0.000 1.533 377 C CB 1.786 29.747 27.740 0.369 0.000 1.970 377 C HN 0.960 nan 8.230 nan 0.000 0.467 378 E N 1.233 121.361 120.200 -0.119 0.000 2.359 378 E HA 0.332 4.704 4.350 0.035 0.000 0.266 378 E C -1.130 175.457 176.600 -0.022 0.000 0.920 378 E CA -0.621 55.585 56.400 -0.322 0.000 0.788 378 E CB 1.369 30.922 29.700 -0.245 0.000 1.279 378 E HN 0.770 nan 8.360 nan 0.000 0.438 379 N N 0.481 119.188 118.700 0.011 0.000 2.529 379 N HA 0.147 4.908 4.740 0.035 0.000 0.278 379 N C 0.132 175.573 175.510 -0.115 0.000 1.146 379 N CA -0.051 53.011 53.050 0.021 0.000 0.980 379 N CB 1.710 40.199 38.487 0.004 0.000 1.124 379 N HN 0.504 nan 8.380 nan 0.000 0.458 380 A N 2.600 125.351 122.820 -0.115 0.000 1.897 380 A HA 0.130 4.472 4.320 0.035 0.000 0.215 380 A C 0.976 178.494 177.584 -0.110 0.000 1.181 380 A CA 0.663 52.638 52.037 -0.103 0.000 0.620 380 A CB -0.111 18.849 19.000 -0.067 0.000 0.821 380 A HN 0.675 nan 8.150 nan 0.000 0.443 381 L N -0.338 120.796 121.223 -0.148 0.000 2.354 381 L HA 0.396 4.757 4.340 0.035 0.000 0.264 381 L C -2.621 174.106 176.870 -0.237 0.000 1.008 381 L CA -2.579 52.163 54.840 -0.163 0.000 0.819 381 L CB 2.205 44.173 42.059 -0.153 0.000 1.339 381 L HN -0.040 nan 8.230 nan 0.000 0.420 382 P HA 0.171 nan 4.420 nan 0.000 0.267 382 P C -1.189 175.855 177.300 -0.427 0.000 1.205 382 P CA -0.168 62.711 63.100 -0.369 0.000 0.765 382 P CB 0.650 32.203 31.700 -0.246 0.000 0.828 383 R N 2.767 122.908 120.500 -0.600 0.000 2.584 383 R HA 0.275 4.636 4.340 0.035 0.000 0.276 383 R C -0.455 175.460 176.300 -0.641 0.000 1.046 383 R CA -0.516 55.275 56.100 -0.515 0.000 0.906 383 R CB 1.302 31.363 30.300 -0.398 0.000 1.215 383 R HN 0.460 nan 8.270 nan 0.000 0.449 384 Y N -0.515 119.738 120.300 -0.078 0.000 2.527 384 Y HA 0.089 4.661 4.550 0.036 0.000 0.247 384 Y C 0.613 176.512 175.900 -0.002 0.000 1.138 384 Y CA -0.622 57.494 58.100 0.027 0.000 1.228 384 Y CB 0.765 39.287 38.460 0.103 0.000 1.252 384 Y HN 0.456 nan 8.280 nan 0.000 0.531 385 D N 0.343 120.719 120.400 -0.039 0.000 2.253 385 D HA 0.125 4.787 4.640 0.035 0.000 0.249 385 D C -2.228 174.065 176.300 -0.012 0.000 1.049 385 D CA -1.784 52.221 54.000 0.010 0.000 0.929 385 D CB 2.274 43.064 40.800 -0.016 0.000 1.176 385 D HN -0.049 nan 8.370 nan 0.000 0.437 386 P HA -0.134 nan 4.420 nan 0.000 0.216 386 P C 1.364 178.705 177.300 0.068 0.000 1.150 386 P CA 1.525 64.716 63.100 0.153 0.000 0.837 386 P CB 0.067 31.830 31.700 0.105 0.000 0.786 387 T N -0.452 114.108 114.554 0.009 0.000 2.684 387 T HA -0.180 4.192 4.350 0.035 0.000 0.267 387 T C 1.907 176.569 174.700 -0.063 0.000 1.036 387 T CA 1.768 63.864 62.100 -0.007 0.000 1.148 387 T CB -1.014 67.846 68.868 -0.014 0.000 0.863 387 T HN 0.064 nan 8.240 nan 0.000 0.436 388 A N 0.594 123.313 122.820 -0.168 0.000 1.908 388 A HA -0.120 4.222 4.320 0.035 0.000 0.218 388 A C 2.067 179.469 177.584 -0.303 0.000 1.181 388 A CA 1.568 53.438 52.037 -0.277 0.000 0.627 388 A CB -1.049 17.693 19.000 -0.430 0.000 0.818 388 A HN 0.557 nan 8.150 nan 0.000 0.445 389 Y N 0.519 120.701 120.300 -0.197 0.000 2.242 389 Y HA -0.134 4.438 4.550 0.036 0.000 0.291 389 Y C 2.407 178.258 175.900 -0.081 0.000 1.137 389 Y CA 1.219 59.132 58.100 -0.311 0.000 1.181 389 Y CB -0.506 37.776 38.460 -0.296 0.000 0.989 389 Y HN 0.311 nan 8.280 nan 0.000 0.527 390 N N -0.807 117.960 118.700 0.112 0.000 2.244 390 N HA -0.116 4.645 4.740 0.035 0.000 0.183 390 N C 1.755 177.304 175.510 0.066 0.000 1.016 390 N CA 1.682 54.791 53.050 0.099 0.000 0.866 390 N CB -0.618 37.927 38.487 0.097 0.000 0.980 390 N HN 0.299 nan 8.380 nan 0.000 0.430 391 T N 1.621 116.186 114.554 0.018 0.000 2.777 391 T HA 0.029 4.400 4.350 0.035 0.000 0.266 391 T C 2.119 176.825 174.700 0.011 0.000 1.040 391 T CA 0.616 62.717 62.100 0.001 0.000 1.141 391 T CB -0.151 68.693 68.868 -0.040 0.000 0.868 391 T HN 0.155 nan 8.240 nan 0.000 0.444 392 I N 0.829 121.378 120.570 -0.034 0.000 2.163 392 I HA -0.180 4.012 4.170 0.035 0.000 0.243 392 I C 2.304 178.440 176.117 0.032 0.000 1.085 392 I CA 1.294 62.557 61.300 -0.063 0.000 1.347 392 I CB -0.473 37.341 38.000 -0.310 0.000 1.044 392 I HN 0.174 nan 8.210 nan 0.000 0.408 393 L N 0.065 121.343 121.223 0.092 0.000 2.042 393 L HA -0.245 4.116 4.340 0.035 0.000 0.210 393 L C 2.816 179.715 176.870 0.050 0.000 1.076 393 L CA 1.201 56.082 54.840 0.070 0.000 0.749 393 L CB -0.635 41.470 42.059 0.076 0.000 0.893 393 L HN 0.260 nan 8.230 nan 0.000 0.432 394 R N 0.586 121.125 120.500 0.065 0.000 2.083 394 R HA -0.179 4.183 4.340 0.035 0.000 0.237 394 R C 1.907 178.262 176.300 0.092 0.000 1.137 394 R CA 1.916 58.057 56.100 0.070 0.000 0.951 394 R CB -0.648 29.704 30.300 0.086 0.000 0.851 394 R HN 0.438 nan 8.270 nan 0.000 0.434 395 N N 0.666 119.461 118.700 0.159 0.000 2.244 395 N HA -0.102 4.659 4.740 0.035 0.000 0.183 395 N C 1.612 177.248 175.510 0.210 0.000 1.016 395 N CA 1.301 54.512 53.050 0.268 0.000 0.866 395 N CB -0.306 38.340 38.487 0.264 0.000 0.980 395 N HN 0.304 nan 8.380 nan 0.000 0.430 396 A N 0.787 123.691 122.820 0.140 0.000 1.933 396 A HA -0.016 4.325 4.320 0.035 0.000 0.218 396 A C 1.070 178.699 177.584 0.075 0.000 1.175 396 A CA 1.084 53.203 52.037 0.137 0.000 0.628 396 A CB 0.045 19.090 19.000 0.075 0.000 0.814 396 A HN 0.176 nan 8.150 nan 0.000 0.444 397 R N -1.020 119.471 120.500 -0.015 0.000 2.629 397 R HA 0.221 4.582 4.340 0.035 0.000 0.275 397 R C -2.462 173.703 176.300 -0.224 0.000 1.719 397 R CA -1.496 54.540 56.100 -0.106 0.000 1.472 397 R CB 1.225 31.486 30.300 -0.064 0.000 1.237 397 R HN 0.173 nan 8.270 nan 0.000 0.589 398 P HA -0.131 nan 4.420 nan 0.000 0.222 398 P C 0.385 177.357 177.300 -0.546 0.000 1.147 398 P CA 1.189 63.820 63.100 -0.781 0.000 0.790 398 P CB 0.269 30.916 31.700 -1.756 0.000 0.780 399 H N -1.623 117.337 119.070 -0.184 0.000 2.520 399 H HA 0.378 4.955 4.556 0.035 0.000 0.284 399 H C 1.501 176.787 175.328 -0.069 0.000 1.037 399 H CA 0.544 56.531 56.048 -0.102 0.000 1.168 399 H CB -0.230 29.468 29.762 -0.108 0.000 1.497 399 H HN 0.087 nan 8.280 nan 0.000 0.547 400 G N 1.566 110.357 108.800 -0.014 0.000 2.598 400 G HA2 -0.277 3.704 3.960 0.035 0.000 0.244 400 G HA3 -0.277 3.704 3.960 0.035 0.000 0.244 400 G C -0.210 174.682 174.900 -0.014 0.000 1.302 400 G CA -0.348 44.748 45.100 -0.007 0.000 0.903 400 G HN 0.197 nan 8.290 nan 0.000 0.575 401 I N 1.714 122.277 120.570 -0.012 0.000 2.474 401 I HA 0.194 4.385 4.170 0.035 0.000 0.287 401 I C 0.491 176.597 176.117 -0.018 0.000 1.048 401 I CA -0.524 60.765 61.300 -0.018 0.000 1.383 401 I CB 1.121 39.111 38.000 -0.017 0.000 1.412 401 I HN 0.587 nan 8.210 nan 0.000 0.531 402 N N 5.948 124.632 118.700 -0.027 0.000 2.422 402 N HA 0.091 4.853 4.740 0.035 0.000 0.266 402 N C 0.656 176.150 175.510 -0.027 0.000 1.007 402 N CA -0.227 52.804 53.050 -0.032 0.000 0.941 402 N CB 1.269 39.728 38.487 -0.047 0.000 1.115 402 N HN 0.336 nan 8.380 nan 0.000 0.492 403 Q N 1.436 121.222 119.800 -0.024 0.000 2.291 403 Q HA -0.042 4.319 4.340 0.035 0.000 0.205 403 Q C 0.810 176.796 176.000 -0.023 0.000 0.970 403 Q CA 1.161 56.952 55.803 -0.021 0.000 0.876 403 Q CB 0.052 28.779 28.738 -0.018 0.000 0.935 403 Q HN 0.797 nan 8.270 nan 0.000 0.455 404 S N -2.212 113.471 115.700 -0.027 0.000 2.559 404 S HA 0.485 4.977 4.470 0.035 0.000 0.226 404 S C 0.691 175.272 174.600 -0.032 0.000 1.000 404 S CA 0.114 58.297 58.200 -0.028 0.000 0.948 404 S CB 1.231 64.414 63.200 -0.029 0.000 0.870 404 S HN 0.287 nan 8.310 nan 0.000 0.497 405 G N 1.570 110.350 108.800 -0.035 0.000 2.340 405 G HA2 0.473 4.454 3.960 0.035 0.000 0.299 405 G HA3 0.473 4.454 3.960 0.035 0.000 0.299 405 G C -3.542 171.332 174.900 -0.045 0.000 1.291 405 G CA -0.867 44.209 45.100 -0.039 0.000 0.841 405 G HN 0.023 nan 8.290 nan 0.000 0.500 406 P HA 0.265 nan 4.420 nan 0.000 0.268 406 P C -2.392 174.858 177.300 -0.083 0.000 1.205 406 P CA -0.620 62.445 63.100 -0.058 0.000 0.771 406 P CB 0.619 32.283 31.700 -0.060 0.000 0.858 407 P HA 0.102 nan 4.420 nan 0.000 0.275 407 P C 0.895 178.081 177.300 -0.191 0.000 1.266 407 P CA -0.131 62.904 63.100 -0.109 0.000 0.793 407 P CB 0.904 32.555 31.700 -0.083 0.000 1.074 408 E N -0.603 119.459 120.200 -0.230 0.000 2.107 408 E HA -0.139 4.232 4.350 0.035 0.000 0.191 408 E C -0.208 175.908 176.600 -0.806 0.000 0.982 408 E CA 0.896 57.014 56.400 -0.470 0.000 0.809 408 E CB 0.060 29.433 29.700 -0.545 0.000 0.756 408 E HN 0.547 nan 8.360 nan 0.000 0.459 409 H N -1.028 117.811 119.070 -0.385 0.000 2.806 409 H HA 0.366 4.944 4.556 0.036 0.000 0.367 409 H C -1.105 173.802 175.328 -0.703 0.000 1.136 409 H CA -0.997 54.500 56.048 -0.919 0.000 1.178 409 H CB 1.738 30.626 29.762 -1.457 0.000 1.718 409 H HN -0.071 nan 8.280 nan 0.000 0.540 410 K N 2.178 122.301 120.400 -0.460 0.000 2.568 410 K HA 0.383 4.724 4.320 0.035 0.000 0.273 410 K C -1.579 175.197 176.600 0.293 0.000 0.951 410 K CA -0.899 55.358 56.287 -0.051 0.000 0.854 410 K CB 1.798 34.288 32.500 -0.016 0.000 1.424 410 K HN 0.327 nan 8.250 nan 0.000 0.427 411 L N 2.427 123.887 121.223 0.394 0.000 2.456 411 L HA 0.138 4.499 4.340 0.035 0.000 0.272 411 L C 0.981 178.086 176.870 0.391 0.000 1.189 411 L CA -0.367 54.752 54.840 0.465 0.000 0.846 411 L CB 0.112 42.404 42.059 0.389 0.000 1.111 411 L HN 0.678 nan 8.230 nan 0.000 0.475 412 F N 1.548 121.661 119.950 0.272 0.000 2.407 412 F HA 0.139 4.687 4.527 0.035 0.000 0.299 412 F C 1.075 177.010 175.800 0.225 0.000 1.097 412 F CA 0.736 58.863 58.000 0.212 0.000 1.422 412 F CB 0.302 39.409 39.000 0.179 0.000 1.067 412 F HN 0.429 nan 8.300 nan 0.000 0.539 413 G N -1.316 107.664 108.800 0.300 0.000 2.519 413 G HA2 0.389 4.371 3.960 0.035 0.000 0.292 413 G HA3 0.389 4.371 3.960 0.035 0.000 0.292 413 G C -2.281 172.840 174.900 0.368 0.000 1.507 413 G CA -0.670 44.602 45.100 0.287 0.000 0.806 413 G HN -0.001 nan 8.290 nan 0.000 0.523 414 F N 1.057 121.161 119.950 0.256 0.000 2.547 414 F HA 0.748 5.296 4.527 0.035 0.000 0.316 414 F C -0.415 175.580 175.800 0.326 0.000 1.121 414 F CA -0.519 57.641 58.000 0.266 0.000 0.911 414 F CB 2.578 41.754 39.000 0.293 0.000 1.179 414 F HN 0.444 nan 8.300 nan 0.000 0.443 415 T N 5.953 120.088 114.554 -0.699 0.000 2.786 415 T HA 0.218 4.589 4.350 0.035 0.000 0.283 415 T C -1.438 172.895 174.700 -0.612 0.000 0.992 415 T CA -0.270 61.610 62.100 -0.368 0.000 0.954 415 T CB 0.489 69.256 68.868 -0.169 0.000 0.934 415 T HN 0.502 nan 8.240 nan 0.000 0.440 416 Y N 4.035 124.258 120.300 -0.129 0.000 2.336 416 Y HA 0.518 5.090 4.550 0.036 0.000 0.335 416 Y C -0.353 175.586 175.900 0.065 0.000 1.046 416 Y CA -1.011 57.180 58.100 0.153 0.000 1.198 416 Y CB 0.533 39.334 38.460 0.569 0.000 1.182 416 Y HN 0.590 nan 8.280 nan 0.000 0.502 417 L N 9.184 130.118 121.223 -0.481 0.000 2.255 417 L HA 0.546 4.907 4.340 0.035 0.000 0.289 417 L C -0.783 175.727 176.870 -0.600 0.000 1.046 417 L CA -0.288 54.331 54.840 -0.367 0.000 0.816 417 L CB -0.062 41.829 42.059 -0.279 0.000 1.197 417 L HN 0.915 nan 8.230 nan 0.000 0.427 418 R N 3.629 124.031 120.500 -0.163 0.000 2.752 418 R HA 0.471 4.833 4.340 0.035 0.000 0.271 418 R C -1.673 174.774 176.300 0.244 0.000 1.026 418 R CA -1.127 55.031 56.100 0.097 0.000 0.901 418 R CB 0.906 31.241 30.300 0.058 0.000 1.243 418 R HN 0.423 nan 8.270 nan 0.000 0.463 419 L N 2.036 123.379 121.223 0.200 0.000 2.499 419 L HA 0.354 4.716 4.340 0.035 0.000 0.273 419 L C -0.720 176.226 176.870 0.127 0.000 1.195 419 L CA 1.336 56.262 54.840 0.143 0.000 0.882 419 L CB 0.816 42.941 42.059 0.110 0.000 1.133 419 L HN 0.909 nan 8.230 nan 0.000 0.483 420 S N 2.553 118.320 115.700 0.111 0.000 2.643 420 S HA 0.468 4.959 4.470 0.035 0.000 0.270 420 S C 0.429 175.054 174.600 0.041 0.000 1.166 420 S CA -0.827 57.423 58.200 0.083 0.000 0.815 420 S CB 0.808 64.073 63.200 0.108 0.000 1.139 420 S HN 0.580 nan 8.310 nan 0.000 0.472 421 N N 0.787 119.497 118.700 0.017 0.000 2.223 421 N HA -0.154 4.608 4.740 0.035 0.000 0.185 421 N C 1.617 177.108 175.510 -0.033 0.000 1.016 421 N CA 1.578 54.618 53.050 -0.015 0.000 0.863 421 N CB -0.474 38.001 38.487 -0.020 0.000 0.983 421 N HN 0.778 nan 8.380 nan 0.000 0.429 422 Q N 0.432 120.214 119.800 -0.030 0.000 2.135 422 Q HA -0.130 4.231 4.340 0.035 0.000 0.204 422 Q C 2.054 177.972 176.000 -0.136 0.000 0.981 422 Q CA 0.968 56.710 55.803 -0.103 0.000 0.856 422 Q CB -0.053 28.611 28.738 -0.123 0.000 0.902 422 Q HN 0.215 nan 8.270 nan 0.000 0.425 423 L N 0.174 121.391 121.223 -0.010 0.000 2.056 423 L HA -0.098 4.263 4.340 0.035 0.000 0.207 423 L C 1.818 178.725 176.870 0.062 0.000 1.078 423 L CA 1.551 56.431 54.840 0.068 0.000 0.749 423 L CB -0.190 41.928 42.059 0.099 0.000 0.901 423 L HN 0.273 nan 8.230 nan 0.000 0.433 424 V N -1.974 117.942 119.914 0.003 0.000 3.331 424 V HA 0.272 4.413 4.120 0.035 0.000 0.332 424 V C 0.178 176.152 176.094 -0.200 0.000 1.341 424 V CA -0.050 62.206 62.300 -0.074 0.000 1.218 424 V CB -1.440 30.278 31.823 -0.176 0.000 1.152 424 V HN 0.588 nan 8.190 nan 0.000 0.445 425 E N -0.611 119.563 120.200 -0.043 0.000 2.359 425 E HA 0.748 5.119 4.350 0.035 0.000 0.266 425 E C 0.553 177.182 176.600 0.049 0.000 0.920 425 E CA -0.448 55.928 56.400 -0.040 0.000 0.788 425 E CB 1.732 31.396 29.700 -0.061 0.000 1.279 425 E HN 0.537 nan 8.360 nan 0.000 0.438 426 G N 1.488 110.317 108.800 0.048 0.000 2.582 426 G HA2 -0.448 3.533 3.960 0.035 0.000 0.288 426 G HA3 -0.448 3.533 3.960 0.035 0.000 0.288 426 G C 0.762 175.719 174.900 0.094 0.000 1.247 426 G CA 0.901 46.033 45.100 0.054 0.000 0.972 426 G HN 0.656 nan 8.290 nan 0.000 0.557 427 Q N 0.019 119.855 119.800 0.060 0.000 2.124 427 Q HA -0.057 4.305 4.340 0.035 0.000 0.202 427 Q C 2.580 178.644 176.000 0.106 0.000 0.977 427 Q CA 2.509 58.355 55.803 0.071 0.000 0.850 427 Q CB -0.516 28.252 28.738 0.050 0.000 0.901 427 Q HN 0.588 nan 8.270 nan 0.000 0.429 428 N N -0.801 117.954 118.700 0.090 0.000 2.069 428 N HA -0.198 4.563 4.740 0.035 0.000 0.191 428 N C 1.414 177.066 175.510 0.236 0.000 1.031 428 N CA 1.478 54.615 53.050 0.146 0.000 0.852 428 N CB -0.640 37.817 38.487 -0.050 0.000 1.018 428 N HN 0.366 nan 8.380 nan 0.000 0.423 429 Y N 1.395 121.740 120.300 0.074 0.000 2.200 429 Y HA -0.050 4.521 4.550 0.035 0.000 0.290 429 Y C 2.279 178.248 175.900 0.115 0.000 1.137 429 Y CA 1.381 59.541 58.100 0.100 0.000 1.163 429 Y CB -0.654 37.833 38.460 0.046 0.000 0.988 429 Y HN 0.081 nan 8.280 nan 0.000 0.518 430 A N 0.581 123.415 122.820 0.025 0.000 1.908 430 A HA -0.257 4.084 4.320 0.035 0.000 0.218 430 A C 2.082 179.605 177.584 -0.102 0.000 1.181 430 A CA 2.077 54.070 52.037 -0.073 0.000 0.627 430 A CB -0.845 18.166 19.000 0.018 0.000 0.818 430 A HN 0.576 nan 8.150 nan 0.000 0.445 431 N N -1.080 117.623 118.700 0.005 0.000 2.120 431 N HA -0.128 4.633 4.740 0.035 0.000 0.188 431 N C 1.408 176.792 175.510 -0.212 0.000 1.024 431 N CA 1.534 54.595 53.050 0.019 0.000 0.852 431 N CB -0.628 38.012 38.487 0.256 0.000 1.003 431 N HN 0.551 nan 8.380 nan 0.000 0.424 432 F N 2.269 122.037 119.950 -0.303 0.000 2.146 432 F HA -0.073 4.475 4.527 0.035 0.000 0.298 432 F C 2.255 177.796 175.800 -0.432 0.000 1.096 432 F CA 1.311 59.023 58.000 -0.480 0.000 1.275 432 F CB -0.099 38.747 39.000 -0.257 0.000 1.008 432 F HN -0.125 nan 8.300 nan 0.000 0.480 433 K N 0.033 120.142 120.400 -0.486 0.000 2.057 433 K HA -0.150 4.191 4.320 0.035 0.000 0.207 433 K C 1.881 178.202 176.600 -0.465 0.000 1.049 433 K CA 2.061 58.032 56.287 -0.526 0.000 0.931 433 K CB -0.689 31.505 32.500 -0.511 0.000 0.714 433 K HN 0.300 nan 8.250 nan 0.000 0.440 434 T N 1.319 115.654 114.554 -0.365 0.000 2.746 434 T HA -0.141 4.231 4.350 0.035 0.000 0.267 434 T C 1.500 175.993 174.700 -0.346 0.000 1.039 434 T CA 1.350 63.278 62.100 -0.287 0.000 1.142 434 T CB -0.460 68.300 68.868 -0.180 0.000 0.866 434 T HN 0.319 nan 8.240 nan 0.000 0.444 435 F N 2.495 122.065 119.950 -0.633 0.000 2.087 435 F HA -0.200 4.348 4.527 0.036 0.000 0.299 435 F C 2.161 177.555 175.800 -0.676 0.000 1.100 435 F CA 1.010 58.585 58.000 -0.708 0.000 1.226 435 F CB -0.895 37.376 39.000 -1.216 0.000 0.983 435 F HN -0.053 nan 8.300 nan 0.000 0.479 436 V N 0.800 120.081 119.914 -1.054 0.000 2.343 436 V HA -0.310 3.831 4.120 0.035 0.000 0.247 436 V C 2.238 177.758 176.094 -0.957 0.000 1.051 436 V CA 2.192 63.797 62.300 -1.159 0.000 1.036 436 V CB -0.853 30.392 31.823 -0.962 0.000 0.654 436 V HN 0.316 nan 8.190 nan 0.000 0.451 437 D N -0.045 119.989 120.400 -0.610 0.000 2.104 437 D HA -0.149 4.513 4.640 0.035 0.000 0.194 437 D C 2.434 178.510 176.300 -0.372 0.000 0.994 437 D CA 1.118 54.881 54.000 -0.394 0.000 0.830 437 D CB -0.288 40.359 40.800 -0.256 0.000 0.959 437 D HN 0.282 nan 8.370 nan 0.000 0.452 438 R N 0.121 120.390 120.500 -0.384 0.000 2.081 438 R HA -0.016 4.345 4.340 0.035 0.000 0.235 438 R C 2.258 178.351 176.300 -0.344 0.000 1.131 438 R CA 0.546 56.471 56.100 -0.291 0.000 0.960 438 R CB -0.632 29.540 30.300 -0.215 0.000 0.856 438 R HN 0.302 nan 8.270 nan 0.000 0.436 439 M N 0.101 119.357 119.600 -0.573 0.000 2.108 439 M HA -0.146 4.355 4.480 0.035 0.000 0.261 439 M C 1.556 177.615 176.300 -0.402 0.000 1.066 439 M CA 1.599 56.573 55.300 -0.543 0.000 1.107 439 M CB -1.041 31.047 32.600 -0.854 0.000 1.356 439 M HN 0.316 nan 8.290 nan 0.000 0.406 440 H N -0.161 118.551 119.070 -0.596 0.000 2.556 440 H HA 0.275 4.852 4.556 0.035 0.000 0.273 440 H C 0.890 176.027 175.328 -0.318 0.000 1.030 440 H CA 0.007 55.622 56.048 -0.721 0.000 1.156 440 H CB 0.011 29.341 29.762 -0.721 0.000 1.326 440 H HN 0.515 nan 8.280 nan 0.000 0.609 441 A N 1.573 124.319 122.820 -0.123 0.000 2.822 441 A HA -0.314 4.027 4.320 0.035 0.000 0.287 441 A C 0.698 178.255 177.584 -0.045 0.000 1.479 441 A CA 0.680 52.679 52.037 -0.064 0.000 0.779 441 A CB -2.063 16.928 19.000 -0.014 0.000 1.022 441 A HN 0.813 nan 8.150 nan 0.000 0.532 442 N N -3.035 115.621 118.700 -0.073 0.000 2.741 442 N HA -0.184 4.577 4.740 0.035 0.000 0.250 442 N C -0.111 175.389 175.510 -0.016 0.000 1.115 442 N CA 1.798 54.814 53.050 -0.058 0.000 0.724 442 N CB -1.536 36.919 38.487 -0.054 0.000 1.090 442 N HN 0.849 nan 8.380 nan 0.000 0.558 443 L N 0.484 121.719 121.223 0.020 0.000 2.352 443 L HA 0.593 4.954 4.340 0.035 0.000 0.269 443 L C -1.509 175.406 176.870 0.074 0.000 1.034 443 L CA -1.658 53.216 54.840 0.056 0.000 0.806 443 L CB 0.936 43.064 42.059 0.115 0.000 1.244 443 L HN -0.140 nan 8.230 nan 0.000 0.447 444 P HA 0.076 nan 4.420 nan 0.000 0.274 444 P C -0.806 176.544 177.300 0.083 0.000 1.256 444 P CA -0.659 62.480 63.100 0.065 0.000 0.795 444 P CB 0.558 32.279 31.700 0.034 0.000 1.038 445 R N 1.517 122.058 120.500 0.068 0.000 2.585 445 R HA 0.001 4.363 4.340 0.035 0.000 0.275 445 R C -0.520 175.768 176.300 -0.020 0.000 1.018 445 R CA 0.508 56.626 56.100 0.030 0.000 1.072 445 R CB -0.463 29.871 30.300 0.055 0.000 0.953 445 R HN 0.435 nan 8.270 nan 0.000 0.419 446 D N 6.163 126.491 120.400 -0.119 0.000 2.460 446 D HA 0.242 4.903 4.640 0.035 0.000 0.232 446 D C -1.727 174.456 176.300 -0.195 0.000 1.079 446 D CA -2.291 51.575 54.000 -0.223 0.000 0.864 446 D CB 1.602 42.096 40.800 -0.510 0.000 1.048 446 D HN 0.289 nan 8.370 nan 0.000 0.523 447 P HA -0.075 nan 4.420 nan 0.000 0.230 447 P C 0.492 177.609 177.300 -0.304 0.000 1.158 447 P CA 0.588 63.550 63.100 -0.231 0.000 0.769 447 P CB 0.116 31.640 31.700 -0.292 0.000 0.807 448 Y N -1.088 119.139 120.300 -0.121 0.000 2.457 448 Y HA 0.161 4.732 4.550 0.035 0.000 0.263 448 Y C 1.393 177.212 175.900 -0.134 0.000 1.164 448 Y CA -0.457 57.582 58.100 -0.102 0.000 1.274 448 Y CB -0.046 38.358 38.460 -0.093 0.000 1.097 448 Y HN -0.251 nan 8.280 nan 0.000 0.523 449 V N 1.628 121.480 119.914 -0.103 0.000 2.843 449 V HA -0.000 4.141 4.120 0.035 0.000 0.305 449 V C 0.169 176.200 176.094 -0.105 0.000 1.065 449 V CA -0.122 62.056 62.300 -0.203 0.000 1.116 449 V CB 0.383 31.907 31.823 -0.498 0.000 0.968 449 V HN 0.534 nan 8.190 nan 0.000 0.487 450 D N 3.465 123.817 120.400 -0.080 0.000 2.705 450 D HA -0.113 4.548 4.640 0.035 0.000 0.240 450 D C -2.135 174.225 176.300 0.100 0.000 1.137 450 D CA 0.638 54.633 54.000 -0.009 0.000 0.677 450 D CB -0.954 39.706 40.800 -0.232 0.000 1.049 450 D HN 0.645 nan 8.370 nan 0.000 0.427 451 P HA 0.080 nan 4.420 nan 0.000 0.271 451 P C 0.263 177.644 177.300 0.136 0.000 1.216 451 P CA -0.334 62.831 63.100 0.108 0.000 0.776 451 P CB 0.784 32.538 31.700 0.091 0.000 0.881 452 M N 1.784 121.462 119.600 0.129 0.000 2.209 452 M HA 0.376 4.877 4.480 0.035 0.000 0.355 452 M C 0.534 176.884 176.300 0.084 0.000 1.171 452 M CA -0.652 54.720 55.300 0.119 0.000 1.069 452 M CB 1.512 34.184 32.600 0.119 0.000 1.622 452 M HN 0.423 nan 8.290 nan 0.000 0.459 453 A N 5.939 128.799 122.820 0.066 0.000 2.366 453 A HA 0.552 4.893 4.320 0.035 0.000 0.249 453 A C -2.284 175.329 177.584 0.050 0.000 1.084 453 A CA -1.079 50.986 52.037 0.048 0.000 0.794 453 A CB -0.688 18.333 19.000 0.036 0.000 1.034 453 A HN 0.492 nan 8.150 nan 0.000 0.491 454 P HA 0.093 nan 4.420 nan 0.000 0.262 454 P C -0.404 176.925 177.300 0.048 0.000 1.182 454 P CA -0.032 63.088 63.100 0.032 0.000 0.761 454 P CB 0.200 31.898 31.700 -0.003 0.000 0.795 455 L N 7.398 128.670 121.223 0.081 0.000 2.562 455 L HA 0.203 4.564 4.340 0.035 0.000 0.271 455 L C -2.174 174.740 176.870 0.074 0.000 1.167 455 L CA -1.266 53.629 54.840 0.090 0.000 0.917 455 L CB -0.441 41.704 42.059 0.144 0.000 1.187 455 L HN 0.288 nan 8.230 nan 0.000 0.482 456 P HA 0.225 nan 4.420 nan 0.000 0.276 456 P C -1.129 176.206 177.300 0.058 0.000 1.244 456 P CA -0.737 62.390 63.100 0.045 0.000 0.801 456 P CB 0.539 32.257 31.700 0.030 0.000 1.006 457 R N 1.272 121.801 120.500 0.049 0.000 2.623 457 R HA 0.187 4.548 4.340 0.035 0.000 0.271 457 R C -0.188 176.139 176.300 0.044 0.000 1.043 457 R CA 0.466 56.599 56.100 0.055 0.000 1.083 457 R CB -0.533 29.792 30.300 0.041 0.000 0.974 457 R HN 0.423 nan 8.270 nan 0.000 0.436 458 S N 1.807 117.544 115.700 0.063 0.000 2.558 458 S HA 0.141 4.633 4.470 0.035 0.000 0.291 458 S C 0.557 175.132 174.600 -0.041 0.000 1.306 458 S CA 0.134 58.337 58.200 0.005 0.000 1.056 458 S CB 0.623 63.853 63.200 0.049 0.000 0.836 458 S HN 0.771 nan 8.310 nan 0.000 0.504 459 G N 2.570 111.318 108.800 -0.087 0.000 2.611 459 G HA2 0.391 4.372 3.960 0.035 0.000 0.273 459 G HA3 0.391 4.372 3.960 0.035 0.000 0.273 459 G C -2.720 172.135 174.900 -0.075 0.000 1.305 459 G CA -1.323 43.737 45.100 -0.067 0.000 1.010 459 G HN 0.448 nan 8.290 nan 0.000 0.509 460 P HA 0.057 nan 4.420 nan 0.000 0.262 460 P C 0.063 177.335 177.300 -0.048 0.000 1.182 460 P CA 0.121 63.200 63.100 -0.034 0.000 0.761 460 P CB 0.471 32.159 31.700 -0.020 0.000 0.795 461 E N 3.199 123.382 120.200 -0.029 0.000 2.465 461 E HA 0.071 4.443 4.350 0.035 0.000 0.260 461 E C -0.095 176.499 176.600 -0.011 0.000 0.980 461 E CA -0.180 56.209 56.400 -0.018 0.000 0.927 461 E CB 0.083 29.790 29.700 0.011 0.000 0.934 461 E HN 0.385 nan 8.360 nan 0.000 0.459 462 I N 0.913 121.478 120.570 -0.010 0.000 2.693 462 I HA 0.446 4.637 4.170 0.035 0.000 0.303 462 I C 0.089 176.214 176.117 0.014 0.000 1.025 462 I CA -1.043 60.257 61.300 -0.000 0.000 1.086 462 I CB 1.918 39.914 38.000 -0.007 0.000 1.268 462 I HN 0.438 nan 8.210 nan 0.000 0.440 463 S N 3.840 119.551 115.700 0.018 0.000 2.600 463 S HA 0.206 4.697 4.470 0.035 0.000 0.265 463 S C 0.857 175.473 174.600 0.027 0.000 1.325 463 S CA -0.494 57.721 58.200 0.026 0.000 1.002 463 S CB 1.452 64.669 63.200 0.028 0.000 0.921 463 S HN 0.772 nan 8.310 nan 0.000 0.554 464 I N 1.179 121.769 120.570 0.032 0.000 2.286 464 I HA -0.082 4.109 4.170 0.035 0.000 0.248 464 I C 2.113 178.248 176.117 0.030 0.000 1.115 464 I CA 1.592 62.911 61.300 0.031 0.000 1.392 464 I CB -0.668 37.353 38.000 0.034 0.000 1.065 464 I HN 0.813 nan 8.210 nan 0.000 0.418 465 E N -0.125 120.096 120.200 0.035 0.000 2.085 465 E HA -0.242 4.129 4.350 0.035 0.000 0.194 465 E C 2.169 178.782 176.600 0.022 0.000 0.994 465 E CA 1.847 58.267 56.400 0.033 0.000 0.801 465 E CB -0.373 29.350 29.700 0.038 0.000 0.743 465 E HN 0.493 nan 8.360 nan 0.000 0.453 466 M N -0.292 119.320 119.600 0.019 0.000 2.132 466 M HA -0.085 4.416 4.480 0.035 0.000 0.263 466 M C 2.136 178.442 176.300 0.009 0.000 1.065 466 M CA 1.209 56.517 55.300 0.013 0.000 1.122 466 M CB -0.226 32.381 32.600 0.011 0.000 1.365 466 M HN 0.081 nan 8.290 nan 0.000 0.411 467 I N 0.302 120.878 120.570 0.011 0.000 2.208 467 I HA -0.298 3.893 4.170 0.035 0.000 0.245 467 I C 2.104 178.222 176.117 0.000 0.000 1.097 467 I CA 1.301 62.606 61.300 0.008 0.000 1.363 467 I CB -0.323 37.685 38.000 0.014 0.000 1.051 467 I HN 0.288 nan 8.210 nan 0.000 0.413 468 L N 0.104 121.328 121.223 0.002 0.000 2.465 468 L HA -0.134 4.227 4.340 0.035 0.000 0.224 468 L C 2.453 179.313 176.870 -0.017 0.000 1.145 468 L CA 0.435 55.270 54.840 -0.008 0.000 0.834 468 L CB -0.532 41.530 42.059 0.005 0.000 0.944 468 L HN 0.346 nan 8.230 nan 0.000 0.451 469 Q N 0.212 120.007 119.800 -0.008 0.000 2.248 469 Q HA -0.212 4.150 4.340 0.035 0.000 0.208 469 Q C 2.298 178.286 176.000 -0.020 0.000 0.984 469 Q CA 1.677 57.474 55.803 -0.010 0.000 0.875 469 Q CB -0.196 28.541 28.738 -0.001 0.000 0.910 469 Q HN 0.563 nan 8.270 nan 0.000 0.433 470 A N 0.446 123.253 122.820 -0.022 0.000 2.168 470 A HA 0.123 4.464 4.320 0.035 0.000 0.215 470 A C 2.203 179.756 177.584 -0.051 0.000 1.152 470 A CA 1.092 53.113 52.037 -0.027 0.000 0.716 470 A CB -0.238 18.752 19.000 -0.018 0.000 0.794 470 A HN 0.336 nan 8.150 nan 0.000 0.465 471 A N -1.231 121.547 122.820 -0.069 0.000 1.968 471 A HA 0.095 4.437 4.320 0.035 0.000 0.217 471 A C 1.074 178.589 177.584 -0.115 0.000 1.169 471 A CA 0.828 52.798 52.037 -0.112 0.000 0.638 471 A CB -0.015 18.901 19.000 -0.141 0.000 0.812 471 A HN 0.595 nan 8.150 nan 0.000 0.446 472 Q N -0.767 118.982 119.800 -0.086 0.000 2.379 472 Q HA 0.428 4.789 4.340 0.035 0.000 0.278 472 Q C -2.917 173.051 176.000 -0.053 0.000 1.068 472 Q CA -2.178 53.575 55.803 -0.082 0.000 0.816 472 Q CB 1.775 30.461 28.738 -0.087 0.000 1.387 472 Q HN 0.094 nan 8.270 nan 0.000 0.413 473 P HA 0.048 nan 4.420 nan 0.000 0.269 473 P C -0.849 176.413 177.300 -0.064 0.000 1.209 473 P CA -0.373 62.694 63.100 -0.055 0.000 0.776 473 P CB 0.520 32.198 31.700 -0.036 0.000 0.876 474 K N 2.784 123.135 120.400 -0.081 0.000 2.368 474 K HA 0.225 4.567 4.320 0.035 0.000 0.282 474 K C -0.738 175.828 176.600 -0.057 0.000 1.035 474 K CA 0.288 56.528 56.287 -0.080 0.000 0.973 474 K CB -0.328 32.112 32.500 -0.100 0.000 0.957 474 K HN 0.372 nan 8.250 nan 0.000 0.474 475 L N 4.070 125.255 121.223 -0.063 0.000 2.334 475 L HA 0.352 4.713 4.340 0.035 0.000 0.272 475 L C 0.390 177.213 176.870 -0.077 0.000 1.020 475 L CA -1.167 53.630 54.840 -0.071 0.000 0.812 475 L CB 1.692 43.693 42.059 -0.097 0.000 1.264 475 L HN 0.662 nan 8.230 nan 0.000 0.439 476 Q N 2.721 122.480 119.800 -0.067 0.000 2.392 476 Q HA 0.159 4.521 4.340 0.035 0.000 0.262 476 Q C -2.075 173.855 176.000 -0.117 0.000 1.003 476 Q CA -1.464 54.308 55.803 -0.052 0.000 0.888 476 Q CB 0.262 28.991 28.738 -0.016 0.000 1.260 476 Q HN 0.342 nan 8.270 nan 0.000 0.435 477 P HA -0.008 nan 4.420 nan 0.000 0.272 477 P C -0.848 176.447 177.300 -0.008 0.000 1.240 477 P CA -0.064 62.986 63.100 -0.083 0.000 0.791 477 P CB 0.464 32.146 31.700 -0.029 0.000 0.978 478 F N 1.157 121.266 119.950 0.265 0.000 2.506 478 F HA 0.168 4.716 4.527 0.036 0.000 0.351 478 F C -1.159 174.924 175.800 0.472 0.000 1.136 478 F CA -1.504 56.710 58.000 0.355 0.000 1.298 478 F CB -0.925 38.312 39.000 0.395 0.000 1.145 478 F HN 0.215 nan 8.300 nan 0.000 0.593 479 P HA 0.130 nan 4.420 nan 0.000 0.276 479 P C -1.035 176.617 177.300 0.587 0.000 1.230 479 P CA 0.066 63.457 63.100 0.485 0.000 0.776 479 P CB 0.463 32.358 31.700 0.327 0.000 0.888 480 F N 1.095 121.157 119.950 0.188 0.000 2.469 480 F HA 0.309 4.858 4.527 0.036 0.000 0.332 480 F C 1.278 177.135 175.800 0.094 0.000 1.103 480 F CA -0.585 57.485 58.000 0.117 0.000 0.979 480 F CB 1.440 40.482 39.000 0.070 0.000 1.137 480 F HN 0.257 nan 8.300 nan 0.000 0.463 481 Q N 0.826 120.734 119.800 0.179 0.000 2.395 481 Q HA -0.009 4.352 4.340 0.035 0.000 0.271 481 Q C 1.363 177.428 176.000 0.109 0.000 1.026 481 Q CA 0.335 56.217 55.803 0.132 0.000 0.900 481 Q CB 1.044 29.837 28.738 0.091 0.000 1.266 481 Q HN 0.740 nan 8.270 nan 0.000 0.430 482 E N 2.759 122.996 120.200 0.062 0.000 2.110 482 E HA -0.122 4.249 4.350 0.035 0.000 0.193 482 E C -0.103 176.312 176.600 -0.308 0.000 0.988 482 E CA 1.344 57.686 56.400 -0.096 0.000 0.804 482 E CB 0.231 29.900 29.700 -0.052 0.000 0.745 482 E HN 0.565 nan 8.360 nan 0.000 0.458 483 H N -1.415 117.693 119.070 0.063 0.000 2.851 483 H HA 0.333 4.910 4.556 0.036 0.000 0.372 483 H C -0.374 174.979 175.328 0.042 0.000 1.158 483 H CA -0.185 55.892 56.048 0.048 0.000 1.159 483 H CB 1.503 31.286 29.762 0.035 0.000 1.757 483 H HN 0.173 nan 8.280 nan 0.000 0.546 484 T N 0.896 115.543 114.554 0.156 0.000 2.940 484 T HA -0.069 4.302 4.350 0.035 0.000 0.309 484 T C 0.993 175.739 174.700 0.076 0.000 1.056 484 T CA -0.123 62.030 62.100 0.089 0.000 1.137 484 T CB 0.171 69.080 68.868 0.068 0.000 0.976 484 T HN 0.676 nan 8.240 nan 0.000 0.547 485 D N 3.213 123.639 120.400 0.044 0.000 2.340 485 D HA 0.024 4.685 4.640 0.035 0.000 0.220 485 D C 0.518 176.823 176.300 0.009 0.000 1.039 485 D CA 0.110 54.127 54.000 0.027 0.000 0.866 485 D CB -0.020 40.792 40.800 0.020 0.000 0.913 485 D HN 0.316 nan 8.370 nan 0.000 0.523 486 L N 1.431 122.657 121.223 0.005 0.000 2.678 486 L HA 0.356 4.717 4.340 0.035 0.000 0.250 486 L C -2.589 174.275 176.870 -0.010 0.000 1.455 486 L CA -1.851 52.981 54.840 -0.014 0.000 0.823 486 L CB 1.300 43.338 42.059 -0.034 0.000 1.107 486 L HN -0.217 nan 8.230 nan 0.000 0.514 487 P HA 0.112 nan 4.420 nan 0.000 0.274 487 P C 1.241 178.544 177.300 0.004 0.000 1.256 487 P CA -0.132 62.981 63.100 0.021 0.000 0.795 487 P CB 1.288 33.003 31.700 0.025 0.000 1.038 488 V N -2.103 117.825 119.914 0.023 0.000 2.358 488 V HA 0.130 4.271 4.120 0.035 0.000 0.246 488 V C 1.213 177.302 176.094 -0.007 0.000 1.047 488 V CA 1.407 63.707 62.300 0.001 0.000 1.035 488 V CB -2.176 29.665 31.823 0.031 0.000 0.658 488 V HN 0.985 nan 8.190 nan 0.000 0.452 489 G N 0.000 108.804 108.800 0.007 0.000 5.446 489 G HA2 0.000 3.981 3.960 0.035 0.000 0.244 489 G HA3 0.000 3.981 3.960 0.035 0.000 0.244 489 G CA 0.000 45.101 45.100 0.002 0.000 0.502 489 G HN 0.000 nan 8.290 nan 0.000 0.925