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 3d6b_1_B DATA FIRST_RESID 4 DATA SEQUENCE ATFHWDDPLL LDQQLADDER MVRDAAHAYA QGKLAPRVTE AFRHETTDAA DATA SEQUENCE IFREMGEIGL LGPTIPEQYG GPGLDYVSYG LIAREVERVD SGYRSMMSVQ DATA SEQUENCE SSLVMVPIFE FGSDAQKEKY LPKLATGEWI GCFGLTEPXX XXXXXXMVTR DATA SEQUENCE ARKVPGGYSL SGSKMWITNS PIADVFVVWA KLDEXXXDEI RGFILEKGCK DATA SEQUENCE GLSAPAIHGK VGLRASITGE IVLDEAFVPE ENILPHVKGL RGPFTCLNSA DATA SEQUENCE RYGIAWGALG AAESCWHIAR QYVLDRXXXX XXLAANQLIQ KKLADMQTEI DATA SEQUENCE TLGLQGVLRL GRMKDEGTAA VEITSIMKRN SCGKALDIAR LARDMLGXXX DATA SEQUENCE XXXXXGVARH LVNLEVVNTY EGTHDIHALI LGRAQTGIQA 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.648 177.584 0.107 0.000 1.274 4 A CA 0.000 52.087 52.037 0.083 0.000 0.836 4 A CB 0.000 19.033 19.000 0.055 0.000 0.831 5 T N 0.150 114.784 114.554 0.134 0.000 2.770 5 T HA 0.590 4.940 4.350 0.001 0.000 0.283 5 T C -0.935 173.906 174.700 0.235 0.000 0.988 5 T CA -0.366 61.819 62.100 0.142 0.000 0.957 5 T CB 0.100 69.017 68.868 0.082 0.000 0.930 5 T HN 0.384 nan 8.240 nan 0.000 0.443 6 F N 4.969 124.950 119.950 0.051 0.000 2.420 6 F HA 0.415 4.943 4.527 0.001 0.000 0.352 6 F C -0.032 175.787 175.800 0.032 0.000 1.108 6 F CA -0.579 57.479 58.000 0.097 0.000 1.162 6 F CB 0.553 39.609 39.000 0.093 0.000 1.118 6 F HN 0.676 nan 8.300 nan 0.000 0.510 7 H N 7.228 125.910 119.070 -0.648 0.000 2.685 7 H HA 0.064 4.621 4.556 0.001 0.000 0.286 7 H C 0.624 175.363 175.328 -0.982 0.000 1.102 7 H CA -0.715 54.943 56.048 -0.650 0.000 1.254 7 H CB 0.256 29.759 29.762 -0.432 0.000 1.397 7 H HN 0.771 nan 8.280 nan 0.000 0.473 8 W N 4.041 124.971 121.300 -0.616 0.000 2.350 8 W HA -0.153 4.507 4.660 0.000 0.000 0.289 8 W C 0.207 176.708 176.519 -0.030 0.000 1.215 8 W CA 1.342 58.503 57.345 -0.306 0.000 1.236 8 W CB -0.122 29.329 29.460 -0.015 0.000 1.130 8 W HN 0.552 nan 8.180 nan 0.000 0.541 9 D N -0.321 119.423 120.400 -1.094 0.000 2.349 9 D HA -0.063 4.577 4.640 0.001 0.000 0.215 9 D C -0.203 175.917 176.300 -0.299 0.000 1.016 9 D CA 0.424 53.766 54.000 -1.098 0.000 0.870 9 D CB -0.413 39.266 40.800 -1.869 0.000 0.917 9 D HN 0.089 nan 8.370 nan 0.000 0.524 10 D N -0.214 120.043 120.400 -0.239 0.000 3.118 10 D HA 0.175 4.815 4.640 0.001 0.000 0.259 10 D C -2.162 174.056 176.300 -0.137 0.000 1.292 10 D CA -1.447 52.476 54.000 -0.128 0.000 0.784 10 D CB 1.272 41.959 40.800 -0.187 0.000 1.413 10 D HN -0.212 nan 8.370 nan 0.000 0.583 11 P HA -0.033 nan 4.420 nan 0.000 0.216 11 P C 1.262 178.594 177.300 0.054 0.000 1.150 11 P CA 0.834 63.925 63.100 -0.015 0.000 0.837 11 P CB 0.338 32.159 31.700 0.203 0.000 0.786 12 L N -1.290 119.946 121.223 0.022 0.000 2.653 12 L HA 0.182 4.522 4.340 0.001 0.000 0.231 12 L C 0.277 177.127 176.870 -0.033 0.000 1.153 12 L CA -0.247 54.601 54.840 0.014 0.000 0.933 12 L CB -0.604 41.464 42.059 0.015 0.000 1.175 12 L HN -0.101 nan 8.230 nan 0.000 0.473 13 L N 0.326 121.492 121.223 -0.095 0.000 3.823 13 L HA -0.269 4.072 4.340 0.001 0.000 0.525 13 L C 1.499 178.313 176.870 -0.093 0.000 1.247 13 L CA -0.221 54.523 54.840 -0.160 0.000 0.776 13 L CB -1.015 40.935 42.059 -0.181 0.000 1.443 13 L HN 0.315 nan 8.230 nan 0.000 0.831 14 L N 0.610 121.795 121.223 -0.063 0.000 2.081 14 L HA -0.216 4.125 4.340 0.001 0.000 0.212 14 L C 2.005 178.863 176.870 -0.020 0.000 1.080 14 L CA 2.594 57.425 54.840 -0.015 0.000 0.754 14 L CB -0.185 41.885 42.059 0.019 0.000 0.893 14 L HN 0.536 nan 8.230 nan 0.000 0.433 15 D N -0.895 119.467 120.400 -0.062 0.000 2.133 15 D HA -0.304 4.337 4.640 0.001 0.000 0.192 15 D C 2.169 178.437 176.300 -0.054 0.000 1.001 15 D CA 1.555 55.515 54.000 -0.066 0.000 0.844 15 D CB -0.085 40.647 40.800 -0.114 0.000 0.944 15 D HN 0.497 nan 8.370 nan 0.000 0.447 16 Q N -0.867 118.892 119.800 -0.068 0.000 2.364 16 Q HA -0.102 4.239 4.340 0.001 0.000 0.207 16 Q C 1.587 177.575 176.000 -0.021 0.000 0.970 16 Q CA 0.794 56.568 55.803 -0.049 0.000 0.888 16 Q CB 0.133 28.834 28.738 -0.062 0.000 0.951 16 Q HN 0.472 nan 8.270 nan 0.000 0.469 17 Q N -0.591 119.203 119.800 -0.009 0.000 2.392 17 Q HA 0.175 4.516 4.340 0.001 0.000 0.203 17 Q C -0.193 175.823 176.000 0.026 0.000 0.917 17 Q CA -0.079 55.732 55.803 0.013 0.000 0.939 17 Q CB 0.653 29.406 28.738 0.024 0.000 1.063 17 Q HN 0.266 nan 8.270 nan 0.000 0.516 18 L N 0.833 122.066 121.223 0.018 0.000 2.334 18 L HA 0.465 4.806 4.340 0.001 0.000 0.277 18 L C 0.170 177.043 176.870 0.005 0.000 1.075 18 L CA -1.013 53.839 54.840 0.020 0.000 0.804 18 L CB 0.969 43.036 42.059 0.013 0.000 1.174 18 L HN 0.033 nan 8.230 nan 0.000 0.438 19 A N 1.437 124.261 122.820 0.006 0.000 2.466 19 A HA 0.022 4.343 4.320 0.001 0.000 0.238 19 A C 0.834 178.411 177.584 -0.011 0.000 1.074 19 A CA -0.290 51.745 52.037 -0.002 0.000 0.774 19 A CB 0.148 19.147 19.000 -0.002 0.000 1.015 19 A HN 0.860 nan 8.150 nan 0.000 0.498 20 D N 0.324 120.716 120.400 -0.013 0.000 2.116 20 D HA -0.180 4.460 4.640 0.001 0.000 0.193 20 D C 1.415 177.703 176.300 -0.020 0.000 0.998 20 D CA 2.056 56.046 54.000 -0.017 0.000 0.836 20 D CB -0.141 40.650 40.800 -0.015 0.000 0.951 20 D HN 0.761 nan 8.370 nan 0.000 0.449 21 D N 0.685 121.073 120.400 -0.020 0.000 2.087 21 D HA -0.165 4.476 4.640 0.001 0.000 0.192 21 D C 1.809 178.090 176.300 -0.030 0.000 0.993 21 D CA 1.312 55.296 54.000 -0.026 0.000 0.828 21 D CB -0.091 40.694 40.800 -0.026 0.000 0.968 21 D HN 0.252 nan 8.370 nan 0.000 0.448 22 E N -0.368 119.814 120.200 -0.030 0.000 2.085 22 E HA -0.170 4.181 4.350 0.001 0.000 0.194 22 E C 2.443 179.019 176.600 -0.039 0.000 0.994 22 E CA 0.790 57.167 56.400 -0.039 0.000 0.801 22 E CB -0.052 29.630 29.700 -0.030 0.000 0.743 22 E HN 0.256 nan 8.360 nan 0.000 0.453 23 R N 0.329 120.812 120.500 -0.030 0.000 2.148 23 R HA -0.100 4.240 4.340 0.001 0.000 0.227 23 R C 2.554 178.836 176.300 -0.030 0.000 1.103 23 R CA 1.544 57.626 56.100 -0.031 0.000 0.983 23 R CB -0.251 30.031 30.300 -0.029 0.000 0.874 23 R HN 0.353 nan 8.270 nan 0.000 0.451 24 M N -0.915 118.669 119.600 -0.027 0.000 2.287 24 M HA -0.006 4.474 4.480 0.001 0.000 0.266 24 M C 1.703 177.992 176.300 -0.017 0.000 1.079 24 M CA 1.414 56.701 55.300 -0.021 0.000 1.146 24 M CB -0.022 32.566 32.600 -0.020 0.000 1.374 24 M HN -0.172 nan 8.290 nan 0.000 0.435 25 V N 1.529 121.427 119.914 -0.027 0.000 2.407 25 V HA -0.238 3.883 4.120 0.001 0.000 0.248 25 V C 2.846 178.929 176.094 -0.019 0.000 1.055 25 V CA 2.395 64.677 62.300 -0.030 0.000 1.049 25 V CB -1.226 30.568 31.823 -0.048 0.000 0.662 25 V HN 0.621 nan 8.190 nan 0.000 0.455 26 R N 0.308 120.792 120.500 -0.026 0.000 2.073 26 R HA -0.188 4.152 4.340 0.001 0.000 0.234 26 R C 1.929 178.251 176.300 0.037 0.000 1.134 26 R CA 2.110 58.203 56.100 -0.011 0.000 0.952 26 R CB -0.405 29.877 30.300 -0.030 0.000 0.850 26 R HN 0.459 nan 8.270 nan 0.000 0.433 27 D N 0.299 120.709 120.400 0.017 0.000 2.264 27 D HA -0.060 4.581 4.640 0.001 0.000 0.208 27 D C 1.613 177.966 176.300 0.090 0.000 0.966 27 D CA 1.169 55.193 54.000 0.040 0.000 0.864 27 D CB 0.025 40.820 40.800 -0.009 0.000 0.933 27 D HN 0.415 nan 8.370 nan 0.000 0.499 28 A N 0.993 123.848 122.820 0.057 0.000 1.872 28 A HA 0.064 4.385 4.320 0.001 0.000 0.214 28 A C 2.294 179.933 177.584 0.091 0.000 1.187 28 A CA 1.715 53.786 52.037 0.057 0.000 0.614 28 A CB -0.562 18.447 19.000 0.015 0.000 0.826 28 A HN 0.210 nan 8.150 nan 0.000 0.442 29 A N -1.098 121.772 122.820 0.085 0.000 1.969 29 A HA -0.109 4.212 4.320 0.001 0.000 0.218 29 A C 1.954 179.625 177.584 0.145 0.000 1.169 29 A CA 1.942 54.048 52.037 0.115 0.000 0.635 29 A CB -0.798 18.245 19.000 0.070 0.000 0.810 29 A HN 0.782 nan 8.150 nan 0.000 0.445 30 H N -0.119 118.980 119.070 0.047 0.000 2.326 30 H HA 0.060 4.617 4.556 0.002 0.000 0.301 30 H C 2.201 177.545 175.328 0.028 0.000 1.081 30 H CA 1.955 58.022 56.048 0.032 0.000 1.334 30 H CB -0.179 29.593 29.762 0.017 0.000 1.385 30 H HN 0.376 nan 8.280 nan 0.000 0.504 31 A N -0.114 122.787 122.820 0.135 0.000 1.902 31 A HA -0.220 4.100 4.320 0.001 0.000 0.217 31 A C 2.342 179.934 177.584 0.012 0.000 1.181 31 A CA 1.663 53.740 52.037 0.067 0.000 0.623 31 A CB -1.397 17.664 19.000 0.101 0.000 0.818 31 A HN 0.735 nan 8.150 nan 0.000 0.443 32 Y N 0.455 120.724 120.300 -0.051 0.000 2.114 32 Y HA -0.107 4.443 4.550 0.001 0.000 0.284 32 Y C 2.674 178.509 175.900 -0.110 0.000 1.143 32 Y CA 1.716 59.772 58.100 -0.073 0.000 1.135 32 Y CB -0.460 37.961 38.460 -0.065 0.000 0.980 32 Y HN 0.314 nan 8.280 nan 0.000 0.499 33 A N 0.288 122.946 122.820 -0.270 0.000 1.883 33 A HA -0.233 4.087 4.320 0.001 0.000 0.217 33 A C 2.045 179.417 177.584 -0.353 0.000 1.186 33 A CA 1.926 53.751 52.037 -0.353 0.000 0.624 33 A CB -0.692 18.227 19.000 -0.135 0.000 0.822 33 A HN 0.590 nan 8.150 nan 0.000 0.444 34 Q N -0.622 118.976 119.800 -0.336 0.000 2.172 34 Q HA -0.057 4.283 4.340 0.001 0.000 0.200 34 Q C 2.143 178.017 176.000 -0.210 0.000 0.964 34 Q CA 1.440 57.078 55.803 -0.275 0.000 0.855 34 Q CB -0.828 27.706 28.738 -0.341 0.000 0.918 34 Q HN 0.655 nan 8.270 nan 0.000 0.444 35 G N 0.918 109.584 108.800 -0.224 0.000 2.395 35 G HA2 -0.154 3.807 3.960 0.001 0.000 0.214 35 G HA3 -0.154 3.807 3.960 0.001 0.000 0.214 35 G C 1.548 176.322 174.900 -0.211 0.000 1.177 35 G CA 0.287 45.288 45.100 -0.165 0.000 0.794 35 G HN 0.139 nan 8.290 nan 0.000 0.532 36 K N -0.202 119.966 120.400 -0.387 0.000 2.313 36 K HA 0.353 4.674 4.320 0.001 0.000 0.197 36 K C 2.377 178.740 176.600 -0.396 0.000 1.061 36 K CA 0.061 56.116 56.287 -0.386 0.000 0.980 36 K CB -0.028 32.195 32.500 -0.462 0.000 0.888 36 K HN 0.292 nan 8.250 nan 0.000 0.502 37 L N 0.493 121.410 121.223 -0.511 0.000 2.168 37 L HA 0.109 4.450 4.340 0.001 0.000 0.203 37 L C 2.488 179.278 176.870 -0.134 0.000 1.078 37 L CA 0.774 55.358 54.840 -0.427 0.000 0.780 37 L CB -0.547 41.176 42.059 -0.561 0.000 0.939 37 L HN -0.003 nan 8.230 nan 0.000 0.451 38 A N 1.062 123.807 122.820 -0.124 0.000 1.908 38 A HA -0.121 4.200 4.320 0.001 0.000 0.218 38 A C -0.111 177.461 177.584 -0.021 0.000 1.181 38 A CA 1.670 53.681 52.037 -0.043 0.000 0.627 38 A CB -1.798 17.164 19.000 -0.064 0.000 0.818 38 A HN 0.299 nan 8.150 nan 0.000 0.445 39 P HA -0.048 nan 4.420 nan 0.000 0.226 39 P C 1.415 178.722 177.300 0.012 0.000 1.153 39 P CA 0.701 63.791 63.100 -0.017 0.000 0.777 39 P CB 0.009 31.690 31.700 -0.031 0.000 0.794 40 R N -0.871 119.642 120.500 0.022 0.000 2.140 40 R HA 0.052 4.393 4.340 0.001 0.000 0.213 40 R C 2.102 178.490 176.300 0.147 0.000 1.059 40 R CA 0.510 56.657 56.100 0.078 0.000 1.000 40 R CB -1.104 29.234 30.300 0.064 0.000 0.910 40 R HN 0.102 nan 8.270 nan 0.000 0.455 41 V N 1.152 121.169 119.914 0.171 0.000 2.343 41 V HA -0.233 3.887 4.120 0.001 0.000 0.247 41 V C 1.783 177.924 176.094 0.079 0.000 1.051 41 V CA 2.234 64.636 62.300 0.171 0.000 1.036 41 V CB -0.271 31.632 31.823 0.133 0.000 0.654 41 V HN 0.357 nan 8.190 nan 0.000 0.451 42 T N -0.154 114.426 114.554 0.043 0.000 2.652 42 T HA -0.172 4.179 4.350 0.001 0.000 0.267 42 T C 1.802 176.532 174.700 0.050 0.000 1.039 42 T CA 1.739 63.850 62.100 0.018 0.000 1.153 42 T CB -0.282 68.585 68.868 -0.001 0.000 0.863 42 T HN 0.538 nan 8.240 nan 0.000 0.428 43 E N 1.055 121.295 120.200 0.066 0.000 2.107 43 E HA 0.028 4.379 4.350 0.001 0.000 0.191 43 E C 2.622 179.287 176.600 0.108 0.000 0.982 43 E CA 0.928 57.377 56.400 0.081 0.000 0.809 43 E CB -0.359 29.427 29.700 0.144 0.000 0.756 43 E HN 0.496 nan 8.360 nan 0.000 0.459 44 A N 1.024 123.925 122.820 0.134 0.000 1.877 44 A HA -0.188 4.133 4.320 0.001 0.000 0.216 44 A C 2.057 179.697 177.584 0.093 0.000 1.186 44 A CA 1.263 53.385 52.037 0.141 0.000 0.620 44 A CB -0.833 18.280 19.000 0.188 0.000 0.822 44 A HN 0.277 nan 8.150 nan 0.000 0.443 45 F N 0.116 120.027 119.950 -0.065 0.000 2.113 45 F HA -0.107 4.421 4.527 0.001 0.000 0.297 45 F C 2.382 178.121 175.800 -0.102 0.000 1.103 45 F CA 1.902 59.843 58.000 -0.097 0.000 1.248 45 F CB -0.239 38.679 39.000 -0.136 0.000 0.999 45 F HN 0.162 nan 8.300 nan 0.000 0.475 46 R N -0.605 119.918 120.500 0.039 0.000 2.112 46 R HA -0.249 4.091 4.340 0.001 0.000 0.242 46 R C 1.410 177.493 176.300 -0.360 0.000 1.137 46 R CA 2.535 58.501 56.100 -0.225 0.000 0.944 46 R CB -0.594 29.433 30.300 -0.455 0.000 0.857 46 R HN 0.480 nan 8.270 nan 0.000 0.435 47 H N -1.566 117.506 119.070 0.003 0.000 2.594 47 H HA 0.192 4.748 4.556 0.001 0.000 0.279 47 H C -0.286 175.033 175.328 -0.015 0.000 1.042 47 H CA 0.179 56.224 56.048 -0.006 0.000 1.177 47 H CB 0.752 30.523 29.762 0.016 0.000 1.524 47 H HN 0.286 nan 8.280 nan 0.000 0.537 48 E N 1.586 121.791 120.200 0.009 0.000 2.389 48 E HA -0.206 4.144 4.350 0.001 0.000 0.243 48 E C -0.201 176.453 176.600 0.089 0.000 1.154 48 E CA 0.504 56.904 56.400 -0.000 0.000 0.723 48 E CB -0.752 28.954 29.700 0.009 0.000 1.261 48 E HN 0.459 nan 8.360 nan 0.000 0.390 49 T N -0.570 114.052 114.554 0.113 0.000 2.907 49 T HA 0.260 4.611 4.350 0.001 0.000 0.298 49 T C 0.251 175.031 174.700 0.132 0.000 1.017 49 T CA 0.243 62.420 62.100 0.129 0.000 1.118 49 T CB 1.230 70.181 68.868 0.138 0.000 0.948 49 T HN 0.145 nan 8.240 nan 0.000 0.531 50 T N 4.631 119.264 114.554 0.132 0.000 2.780 50 T HA 0.340 4.690 4.350 0.001 0.000 0.294 50 T C -0.526 174.262 174.700 0.147 0.000 0.949 50 T CA -0.446 61.740 62.100 0.143 0.000 1.074 50 T CB 0.583 69.530 68.868 0.132 0.000 0.910 50 T HN 0.656 nan 8.240 nan 0.000 0.501 51 D N 1.869 122.374 120.400 0.175 0.000 2.363 51 D HA 0.459 5.100 4.640 0.001 0.000 0.258 51 D C 0.659 177.080 176.300 0.201 0.000 1.259 51 D CA -0.631 53.466 54.000 0.162 0.000 0.921 51 D CB 0.617 41.500 40.800 0.139 0.000 1.201 51 D HN 0.505 nan 8.370 nan 0.000 0.524 52 A N 2.184 125.143 122.820 0.232 0.000 2.209 52 A HA 0.188 4.508 4.320 0.001 0.000 0.212 52 A C 2.040 179.816 177.584 0.320 0.000 1.158 52 A CA 1.132 53.388 52.037 0.365 0.000 0.742 52 A CB -0.119 19.032 19.000 0.252 0.000 0.790 52 A HN 0.515 nan 8.150 nan 0.000 0.472 53 A N 0.366 123.296 122.820 0.183 0.000 2.076 53 A HA -0.106 4.214 4.320 0.001 0.000 0.220 53 A C 1.912 179.561 177.584 0.108 0.000 1.160 53 A CA 1.425 53.541 52.037 0.131 0.000 0.653 53 A CB -0.591 18.462 19.000 0.089 0.000 0.801 53 A HN 0.553 nan 8.150 nan 0.000 0.455 54 I N -1.781 118.825 120.570 0.060 0.000 2.286 54 I HA -0.255 3.916 4.170 0.001 0.000 0.248 54 I C 2.128 178.172 176.117 -0.121 0.000 1.115 54 I CA 1.232 62.499 61.300 -0.054 0.000 1.392 54 I CB -0.414 37.460 38.000 -0.210 0.000 1.065 54 I HN 0.312 nan 8.210 nan 0.000 0.418 55 F N 0.740 120.713 119.950 0.039 0.000 2.102 55 F HA -0.174 4.354 4.527 0.001 0.000 0.298 55 F C 2.760 178.556 175.800 -0.006 0.000 1.105 55 F CA 1.497 59.510 58.000 0.021 0.000 1.239 55 F CB -0.651 38.375 39.000 0.043 0.000 0.991 55 F HN -0.096 nan 8.300 nan 0.000 0.474 56 R N 0.810 121.428 120.500 0.197 0.000 2.096 56 R HA -0.215 4.125 4.340 0.001 0.000 0.240 56 R C 1.978 178.287 176.300 0.014 0.000 1.139 56 R CA 2.234 58.389 56.100 0.093 0.000 0.952 56 R CB -0.344 30.010 30.300 0.090 0.000 0.854 56 R HN 0.355 nan 8.270 nan 0.000 0.436 57 E N -0.202 119.995 120.200 -0.006 0.000 2.072 57 E HA -0.157 4.194 4.350 0.001 0.000 0.190 57 E C 2.161 178.561 176.600 -0.334 0.000 0.982 57 E CA 1.465 57.816 56.400 -0.083 0.000 0.803 57 E CB -0.046 29.707 29.700 0.090 0.000 0.755 57 E HN 0.410 nan 8.360 nan 0.000 0.453 58 M N 0.226 119.599 119.600 -0.379 0.000 2.200 58 M HA -0.047 4.433 4.480 0.001 0.000 0.265 58 M C 2.401 178.560 176.300 -0.235 0.000 1.066 58 M CA 1.315 56.344 55.300 -0.451 0.000 1.127 58 M CB -0.282 32.124 32.600 -0.323 0.000 1.379 58 M HN 0.209 nan 8.290 nan 0.000 0.420 59 G N 0.008 108.738 108.800 -0.117 0.000 2.421 59 G HA2 -0.243 3.718 3.960 0.001 0.000 0.216 59 G HA3 -0.243 3.718 3.960 0.001 0.000 0.216 59 G C 1.263 176.111 174.900 -0.087 0.000 1.171 59 G CA 0.920 45.981 45.100 -0.066 0.000 0.775 59 G HN 0.504 nan 8.290 nan 0.000 0.543 60 E N 0.351 120.498 120.200 -0.088 0.000 2.136 60 E HA -0.210 4.141 4.350 0.001 0.000 0.202 60 E C 2.248 178.791 176.600 -0.096 0.000 1.019 60 E CA 1.573 57.925 56.400 -0.080 0.000 0.819 60 E CB -0.237 29.422 29.700 -0.069 0.000 0.739 60 E HN 0.689 nan 8.360 nan 0.000 0.458 61 I N -4.317 116.167 120.570 -0.143 0.000 3.904 61 I HA 0.403 4.574 4.170 0.001 0.000 0.333 61 I C 0.901 176.943 176.117 -0.124 0.000 1.361 61 I CA 0.331 61.551 61.300 -0.133 0.000 1.116 61 I CB 0.539 38.442 38.000 -0.161 0.000 1.028 61 I HN 0.158 nan 8.210 nan 0.000 0.398 62 G N 2.477 111.206 108.800 -0.119 0.000 2.225 62 G HA2 -0.237 3.723 3.960 0.001 0.000 0.264 62 G HA3 -0.237 3.723 3.960 0.001 0.000 0.264 62 G C 0.289 175.124 174.900 -0.109 0.000 1.060 62 G CA 0.370 45.408 45.100 -0.103 0.000 0.833 62 G HN 0.490 nan 8.290 nan 0.000 0.498 63 L N -0.921 120.226 121.223 -0.126 0.000 2.640 63 L HA 0.392 4.733 4.340 0.001 0.000 0.230 63 L C 1.111 177.932 176.870 -0.082 0.000 1.123 63 L CA 0.039 54.815 54.840 -0.106 0.000 0.900 63 L CB 0.141 42.117 42.059 -0.137 0.000 1.146 63 L HN 0.218 nan 8.230 nan 0.000 0.484 64 L N 0.246 121.419 121.223 -0.083 0.000 2.295 64 L HA 0.479 4.820 4.340 0.001 0.000 0.285 64 L C 0.887 177.696 176.870 -0.101 0.000 1.035 64 L CA -0.491 54.314 54.840 -0.058 0.000 0.806 64 L CB 1.421 43.476 42.059 -0.006 0.000 1.214 64 L HN 0.174 nan 8.230 nan 0.000 0.426 65 G N 3.750 112.465 108.800 -0.142 0.000 2.370 65 G HA2 -0.185 3.776 3.960 0.001 0.000 0.293 65 G HA3 -0.185 3.776 3.960 0.001 0.000 0.293 65 G C -1.623 173.114 174.900 -0.271 0.000 0.992 65 G CA -0.257 44.711 45.100 -0.221 0.000 1.247 65 G HN 0.592 nan 8.290 nan 0.000 0.505 66 P HA -0.066 nan 4.420 nan 0.000 0.229 66 P C 1.774 178.899 177.300 -0.291 0.000 1.160 66 P CA 1.756 64.704 63.100 -0.252 0.000 0.777 66 P CB 0.001 31.594 31.700 -0.177 0.000 0.814 67 T N -3.838 110.480 114.554 -0.394 0.000 3.081 67 T HA 0.087 4.437 4.350 0.001 0.000 0.255 67 T C 1.046 175.503 174.700 -0.405 0.000 1.113 67 T CA -0.152 61.694 62.100 -0.423 0.000 1.082 67 T CB -0.526 67.990 68.868 -0.587 0.000 0.939 67 T HN -0.181 nan 8.240 nan 0.000 0.506 68 I N 3.643 123.969 120.570 -0.408 0.000 2.668 68 I HA 0.228 4.399 4.170 0.001 0.000 0.285 68 I C -2.321 173.574 176.117 -0.370 0.000 1.168 68 I CA -3.054 57.941 61.300 -0.509 0.000 1.424 68 I CB -0.065 37.706 38.000 -0.382 0.000 1.377 68 I HN 0.047 nan 8.210 nan 0.000 0.560 69 P HA 0.040 nan 4.420 nan 0.000 0.266 69 P C 0.763 177.999 177.300 -0.106 0.000 1.195 69 P CA -0.074 62.917 63.100 -0.183 0.000 0.768 69 P CB 0.483 32.136 31.700 -0.080 0.000 0.838 70 E N 2.000 122.137 120.200 -0.104 0.000 2.219 70 E HA -0.308 4.043 4.350 0.001 0.000 0.198 70 E C 1.652 178.186 176.600 -0.112 0.000 0.998 70 E CA 1.079 57.421 56.400 -0.096 0.000 0.818 70 E CB -0.111 29.536 29.700 -0.088 0.000 0.741 70 E HN 0.625 nan 8.360 nan 0.000 0.477 71 Q N 0.026 119.734 119.800 -0.152 0.000 2.234 71 Q HA -0.195 4.146 4.340 0.001 0.000 0.206 71 Q C 0.590 176.334 176.000 -0.426 0.000 0.980 71 Q CA 1.357 56.977 55.803 -0.305 0.000 0.869 71 Q CB 0.057 28.552 28.738 -0.406 0.000 0.912 71 Q HN 0.373 nan 8.270 nan 0.000 0.436 72 Y N -1.735 118.524 120.300 -0.068 0.000 2.660 72 Y HA 0.354 4.905 4.550 0.001 0.000 0.254 72 Y C 1.112 176.965 175.900 -0.077 0.000 1.176 72 Y CA 0.232 58.299 58.100 -0.055 0.000 1.195 72 Y CB 1.348 39.786 38.460 -0.037 0.000 1.190 72 Y HN 0.238 nan 8.280 nan 0.000 0.535 73 G N -0.573 108.230 108.800 0.005 0.000 2.213 73 G HA2 -0.224 3.737 3.960 0.001 0.000 0.236 73 G HA3 -0.224 3.737 3.960 0.001 0.000 0.236 73 G C 0.767 175.635 174.900 -0.053 0.000 0.991 73 G CA -0.234 44.848 45.100 -0.031 0.000 0.629 73 G HN 0.707 nan 8.290 nan 0.000 0.517 74 G N 0.348 109.111 108.800 -0.062 0.000 2.539 74 G HA2 0.566 4.527 3.960 0.001 0.000 0.258 74 G HA3 0.566 4.527 3.960 0.001 0.000 0.258 74 G C -0.604 174.228 174.900 -0.113 0.000 1.202 74 G CA -0.249 44.786 45.100 -0.108 0.000 0.851 74 G HN 0.125 nan 8.290 nan 0.000 0.556 75 P HA 0.074 nan 4.420 nan 0.000 0.245 75 P C 1.136 178.365 177.300 -0.119 0.000 1.212 75 P CA 0.838 63.872 63.100 -0.110 0.000 0.774 75 P CB 0.400 32.037 31.700 -0.105 0.000 0.999 76 G N 0.100 108.811 108.800 -0.148 0.000 2.249 76 G HA2 -0.258 3.703 3.960 0.001 0.000 0.273 76 G HA3 -0.258 3.703 3.960 0.001 0.000 0.273 76 G C -0.054 174.757 174.900 -0.149 0.000 1.036 76 G CA -0.025 44.984 45.100 -0.153 0.000 0.824 76 G HN 0.293 nan 8.290 nan 0.000 0.504 77 L N -0.018 121.106 121.223 -0.166 0.000 2.454 77 L HA 0.593 4.934 4.340 0.001 0.000 0.256 77 L C 0.956 177.705 176.870 -0.203 0.000 1.136 77 L CA -0.701 54.049 54.840 -0.150 0.000 0.804 77 L CB 0.441 42.426 42.059 -0.124 0.000 1.181 77 L HN 0.390 nan 8.230 nan 0.000 0.469 78 D N -1.778 118.525 120.400 -0.161 0.000 2.529 78 D HA 0.077 4.717 4.640 0.001 0.000 0.273 78 D C 0.568 176.771 176.300 -0.162 0.000 1.197 78 D CA -0.171 53.708 54.000 -0.202 0.000 1.070 78 D CB 0.283 41.037 40.800 -0.076 0.000 1.134 78 D HN 0.336 nan 8.370 nan 0.000 0.590 79 Y N -0.797 119.520 120.300 0.028 0.000 2.263 79 Y HA -0.051 4.499 4.550 0.001 0.000 0.292 79 Y C 2.427 178.417 175.900 0.150 0.000 1.130 79 Y CA 0.702 58.859 58.100 0.096 0.000 1.179 79 Y CB -0.517 37.877 38.460 -0.109 0.000 0.998 79 Y HN 0.150 nan 8.280 nan 0.000 0.532 80 V N -1.091 118.951 119.914 0.213 0.000 2.332 80 V HA -0.314 3.807 4.120 0.001 0.000 0.248 80 V C 2.284 178.235 176.094 -0.239 0.000 1.055 80 V CA 2.213 64.533 62.300 0.033 0.000 1.038 80 V CB -0.853 31.022 31.823 0.086 0.000 0.651 80 V HN 0.336 nan 8.190 nan 0.000 0.450 81 S N -1.668 113.968 115.700 -0.108 0.000 2.368 81 S HA -0.200 4.270 4.470 0.001 0.000 0.224 81 S C 1.801 176.339 174.600 -0.104 0.000 1.029 81 S CA 1.645 59.769 58.200 -0.127 0.000 0.988 81 S CB -0.455 62.700 63.200 -0.076 0.000 0.838 81 S HN 0.733 nan 8.310 nan 0.000 0.462 82 Y N 2.006 122.207 120.300 -0.166 0.000 2.128 82 Y HA -0.213 4.338 4.550 0.001 0.000 0.284 82 Y C 2.454 178.209 175.900 -0.241 0.000 1.154 82 Y CA 1.128 59.159 58.100 -0.116 0.000 1.149 82 Y CB -0.661 37.824 38.460 0.040 0.000 0.976 82 Y HN 0.332 nan 8.280 nan 0.000 0.505 83 G N 0.540 108.940 108.800 -0.667 0.000 2.418 83 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 83 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 83 G C 1.565 175.798 174.900 -1.111 0.000 1.158 83 G CA 1.088 45.315 45.100 -1.455 0.000 0.771 83 G HN 0.439 nan 8.290 nan 0.000 0.545 84 L N 0.028 120.642 121.223 -1.017 0.000 2.079 84 L HA -0.068 4.273 4.340 0.001 0.000 0.210 84 L C 2.813 179.559 176.870 -0.206 0.000 1.081 84 L CA 0.658 55.190 54.840 -0.513 0.000 0.752 84 L CB -0.317 41.524 42.059 -0.364 0.000 0.896 84 L HN 0.231 nan 8.230 nan 0.000 0.433 85 I N -0.403 120.062 120.570 -0.174 0.000 2.133 85 I HA -0.271 3.900 4.170 0.001 0.000 0.238 85 I C 2.838 178.942 176.117 -0.021 0.000 1.074 85 I CA 1.165 62.438 61.300 -0.044 0.000 1.342 85 I CB -0.532 37.480 38.000 0.020 0.000 1.053 85 I HN 0.178 nan 8.210 nan 0.000 0.404 86 A N 0.856 123.632 122.820 -0.073 0.000 1.903 86 A HA -0.316 4.005 4.320 0.001 0.000 0.219 86 A C 2.446 180.033 177.584 0.005 0.000 1.191 86 A CA 2.334 54.340 52.037 -0.051 0.000 0.638 86 A CB -0.865 18.024 19.000 -0.184 0.000 0.823 86 A HN 0.417 nan 8.150 nan 0.000 0.451 87 R N -0.832 119.682 120.500 0.023 0.000 2.096 87 R HA -0.149 4.191 4.340 0.001 0.000 0.235 87 R C 1.833 178.181 176.300 0.080 0.000 1.127 87 R CA 1.592 57.749 56.100 0.095 0.000 0.968 87 R CB -0.203 30.232 30.300 0.225 0.000 0.861 87 R HN 0.464 nan 8.270 nan 0.000 0.440 88 E N 0.150 120.392 120.200 0.071 0.000 2.106 88 E HA -0.108 4.243 4.350 0.001 0.000 0.192 88 E C 2.056 178.701 176.600 0.075 0.000 0.984 88 E CA 0.994 57.449 56.400 0.093 0.000 0.806 88 E CB -0.136 29.629 29.700 0.108 0.000 0.750 88 E HN 0.196 nan 8.360 nan 0.000 0.458 89 V N 0.989 120.950 119.914 0.079 0.000 2.323 89 V HA -0.206 3.915 4.120 0.001 0.000 0.244 89 V C 2.424 178.592 176.094 0.123 0.000 1.041 89 V CA 1.910 64.269 62.300 0.098 0.000 1.025 89 V CB -0.382 31.506 31.823 0.108 0.000 0.656 89 V HN 0.241 nan 8.190 nan 0.000 0.451 90 E N 0.306 120.567 120.200 0.102 0.000 2.204 90 E HA -0.249 4.102 4.350 0.001 0.000 0.195 90 E C 2.369 179.051 176.600 0.137 0.000 0.990 90 E CA 0.966 57.431 56.400 0.109 0.000 0.821 90 E CB -0.173 29.567 29.700 0.066 0.000 0.750 90 E HN 0.407 nan 8.360 nan 0.000 0.477 91 R N -0.069 120.488 120.500 0.095 0.000 2.154 91 R HA -0.177 4.163 4.340 0.001 0.000 0.248 91 R C 1.825 178.229 176.300 0.174 0.000 1.155 91 R CA 1.597 57.742 56.100 0.076 0.000 0.979 91 R CB -0.049 30.285 30.300 0.056 0.000 0.869 91 R HN 0.157 nan 8.270 nan 0.000 0.452 92 V N -0.549 119.462 119.914 0.163 0.000 2.300 92 V HA -0.025 4.096 4.120 0.001 0.000 0.241 92 V C 0.347 176.527 176.094 0.143 0.000 1.034 92 V CA 1.588 63.983 62.300 0.158 0.000 1.021 92 V CB -0.167 31.730 31.823 0.123 0.000 0.662 92 V HN 0.365 nan 8.190 nan 0.000 0.458 93 D N -2.839 117.652 120.400 0.152 0.000 2.886 93 D HA 0.303 4.944 4.640 0.001 0.000 0.216 93 D C 0.539 176.851 176.300 0.020 0.000 1.256 93 D CA -0.019 53.956 54.000 -0.040 0.000 0.844 93 D CB 1.989 42.587 40.800 -0.337 0.000 1.669 93 D HN -0.078 nan 8.370 nan 0.000 0.513 94 S N 1.274 116.981 115.700 0.013 0.000 2.382 94 S HA -0.059 4.412 4.470 0.001 0.000 0.228 94 S C 1.974 176.576 174.600 0.004 0.000 1.027 94 S CA 1.174 59.393 58.200 0.031 0.000 0.991 94 S CB -0.167 63.056 63.200 0.039 0.000 0.823 94 S HN 0.658 nan 8.310 nan 0.000 0.469 95 G N 0.107 108.870 108.800 -0.061 0.000 2.418 95 G HA2 -0.193 3.768 3.960 0.001 0.000 0.217 95 G HA3 -0.193 3.768 3.960 0.001 0.000 0.217 95 G C 1.115 176.016 174.900 0.002 0.000 1.158 95 G CA 0.578 45.641 45.100 -0.061 0.000 0.771 95 G HN 0.569 nan 8.290 nan 0.000 0.545 96 Y N 0.051 120.369 120.300 0.029 0.000 2.114 96 Y HA -0.110 4.441 4.550 0.001 0.000 0.284 96 Y C 3.114 179.009 175.900 -0.009 0.000 1.143 96 Y CA 1.020 59.117 58.100 -0.005 0.000 1.135 96 Y CB -0.100 38.356 38.460 -0.007 0.000 0.980 96 Y HN 0.019 nan 8.280 nan 0.000 0.499 97 R N 0.557 121.160 120.500 0.172 0.000 2.105 97 R HA -0.173 4.167 4.340 0.001 0.000 0.239 97 R C 2.412 178.757 176.300 0.076 0.000 1.135 97 R CA 1.565 57.727 56.100 0.103 0.000 0.967 97 R CB -0.674 29.671 30.300 0.076 0.000 0.861 97 R HN 0.251 nan 8.270 nan 0.000 0.442 98 S N 0.258 115.996 115.700 0.063 0.000 2.356 98 S HA -0.132 4.339 4.470 0.001 0.000 0.223 98 S C 2.126 176.779 174.600 0.087 0.000 1.032 98 S CA 1.503 59.728 58.200 0.043 0.000 1.005 98 S CB -0.071 63.142 63.200 0.022 0.000 0.867 98 S HN 0.335 nan 8.310 nan 0.000 0.449 99 M N 0.613 120.282 119.600 0.114 0.000 2.080 99 M HA -0.148 4.333 4.480 0.001 0.000 0.260 99 M C 2.449 178.841 176.300 0.154 0.000 1.068 99 M CA 1.980 57.380 55.300 0.167 0.000 1.109 99 M CB -0.410 32.224 32.600 0.057 0.000 1.342 99 M HN 0.445 nan 8.290 nan 0.000 0.405 100 M N 0.016 119.649 119.600 0.055 0.000 2.086 100 M HA -0.187 4.294 4.480 0.001 0.000 0.261 100 M C 2.314 178.691 176.300 0.129 0.000 1.067 100 M CA 2.365 57.707 55.300 0.071 0.000 1.116 100 M CB -0.253 32.379 32.600 0.053 0.000 1.348 100 M HN 0.386 nan 8.290 nan 0.000 0.407 101 S N -0.549 115.229 115.700 0.130 0.000 2.453 101 S HA -0.044 4.427 4.470 0.001 0.000 0.231 101 S C 1.641 176.298 174.600 0.095 0.000 1.005 101 S CA 0.917 59.208 58.200 0.151 0.000 0.949 101 S CB -0.839 62.438 63.200 0.128 0.000 0.774 101 S HN 0.388 nan 8.310 nan 0.000 0.510 102 V N 1.835 121.807 119.914 0.098 0.000 2.270 102 V HA -0.149 3.972 4.120 0.001 0.000 0.245 102 V C 3.099 179.262 176.094 0.114 0.000 1.043 102 V CA 1.874 64.232 62.300 0.098 0.000 1.014 102 V CB -0.839 31.076 31.823 0.152 0.000 0.645 102 V HN 0.467 nan 8.190 nan 0.000 0.447 103 Q N 0.109 120.010 119.800 0.167 0.000 2.045 103 Q HA -0.185 4.156 4.340 0.001 0.000 0.206 103 Q C 2.528 178.573 176.000 0.074 0.000 0.991 103 Q CA 2.394 58.288 55.803 0.152 0.000 0.851 103 Q CB -0.539 28.342 28.738 0.239 0.000 0.911 103 Q HN 0.660 nan 8.270 nan 0.000 0.418 104 S N 0.288 116.012 115.700 0.040 0.000 2.335 104 S HA -0.042 4.428 4.470 0.001 0.000 0.217 104 S C 2.175 176.731 174.600 -0.073 0.000 1.032 104 S CA 1.284 59.442 58.200 -0.069 0.000 0.985 104 S CB -0.118 62.981 63.200 -0.168 0.000 0.896 104 S HN 0.230 nan 8.310 nan 0.000 0.445 105 S N 0.660 116.354 115.700 -0.009 0.000 2.456 105 S HA 0.317 4.788 4.470 0.001 0.000 0.224 105 S C 1.487 176.061 174.600 -0.044 0.000 1.035 105 S CA 0.294 58.498 58.200 0.006 0.000 0.940 105 S CB 0.002 63.264 63.200 0.103 0.000 0.799 105 S HN 0.286 nan 8.310 nan 0.000 0.508 106 L N 0.364 121.540 121.223 -0.078 0.000 2.616 106 L HA 0.268 4.609 4.340 0.001 0.000 0.229 106 L C 1.155 178.120 176.870 0.159 0.000 1.110 106 L CA 0.175 54.887 54.840 -0.213 0.000 0.884 106 L CB 0.308 42.085 42.059 -0.469 0.000 1.115 106 L HN 0.166 nan 8.230 nan 0.000 0.481 107 V N -1.428 118.568 119.914 0.137 0.000 3.054 107 V HA 0.043 4.164 4.120 0.001 0.000 0.227 107 V C 1.930 178.089 176.094 0.109 0.000 1.252 107 V CA 0.396 62.791 62.300 0.159 0.000 1.279 107 V CB 0.354 32.243 31.823 0.111 0.000 1.118 107 V HN 0.158 nan 8.190 nan 0.000 0.504 108 M N -0.124 119.516 119.600 0.066 0.000 2.319 108 M HA -0.084 4.397 4.480 0.001 0.000 0.265 108 M C 2.071 178.396 176.300 0.042 0.000 1.068 108 M CA 1.305 56.629 55.300 0.040 0.000 1.118 108 M CB -0.194 32.402 32.600 -0.007 0.000 1.395 108 M HN 0.231 nan 8.290 nan 0.000 0.435 109 V N 1.188 121.123 119.914 0.036 0.000 2.283 109 V HA -0.127 3.994 4.120 0.001 0.000 0.243 109 V C -0.596 175.502 176.094 0.007 0.000 1.039 109 V CA 1.873 64.196 62.300 0.038 0.000 1.016 109 V CB -1.737 30.098 31.823 0.019 0.000 0.650 109 V HN 0.263 nan 8.190 nan 0.000 0.449 110 P HA -0.145 nan 4.420 nan 0.000 0.217 110 P C 1.810 179.168 177.300 0.097 0.000 1.150 110 P CA 1.631 64.836 63.100 0.175 0.000 0.832 110 P CB 0.023 32.071 31.700 0.580 0.000 0.787 111 I N -1.350 119.276 120.570 0.092 0.000 2.142 111 I HA -0.246 3.925 4.170 0.001 0.000 0.240 111 I C 2.526 178.654 176.117 0.019 0.000 1.078 111 I CA 1.407 62.744 61.300 0.062 0.000 1.343 111 I CB -0.746 37.294 38.000 0.067 0.000 1.046 111 I HN -0.172 nan 8.210 nan 0.000 0.405 112 F N 1.784 121.642 119.950 -0.153 0.000 2.134 112 F HA -0.252 4.275 4.527 0.001 0.000 0.299 112 F C 2.391 178.058 175.800 -0.222 0.000 1.097 112 F CA 1.996 59.857 58.000 -0.232 0.000 1.264 112 F CB -0.191 38.671 39.000 -0.230 0.000 1.001 112 F HN -0.019 nan 8.300 nan 0.000 0.479 113 E N -1.039 118.891 120.200 -0.449 0.000 2.170 113 E HA -0.039 4.312 4.350 0.001 0.000 0.191 113 E C 1.262 177.531 176.600 -0.552 0.000 0.981 113 E CA 1.258 57.226 56.400 -0.720 0.000 0.830 113 E CB -0.139 29.013 29.700 -0.914 0.000 0.775 113 E HN 0.416 nan 8.360 nan 0.000 0.470 114 F N -1.598 118.355 119.950 0.005 0.000 2.746 114 F HA 0.419 4.947 4.527 0.001 0.000 0.320 114 F C 1.097 176.954 175.800 0.095 0.000 1.097 114 F CA -0.100 57.950 58.000 0.082 0.000 1.195 114 F CB -0.154 38.925 39.000 0.132 0.000 1.056 114 F HN -0.103 nan 8.300 nan 0.000 0.562 115 G N 0.518 109.410 108.800 0.153 0.000 2.616 115 G HA2 0.375 4.336 3.960 0.001 0.000 0.268 115 G HA3 0.375 4.336 3.960 0.001 0.000 0.268 115 G C 0.167 175.164 174.900 0.160 0.000 1.213 115 G CA -0.016 45.155 45.100 0.119 0.000 0.926 115 G HN 0.241 nan 8.290 nan 0.000 0.523 116 S N -1.060 114.718 115.700 0.129 0.000 2.669 116 S HA 0.203 4.674 4.470 0.001 0.000 0.270 116 S C 0.835 175.505 174.600 0.117 0.000 1.225 116 S CA -0.176 58.110 58.200 0.144 0.000 0.991 116 S CB 1.488 64.749 63.200 0.102 0.000 0.987 116 S HN 0.512 nan 8.310 nan 0.000 0.552 117 D N 1.129 121.602 120.400 0.123 0.000 2.104 117 D HA -0.119 4.522 4.640 0.001 0.000 0.194 117 D C 2.218 178.599 176.300 0.135 0.000 0.994 117 D CA 1.908 55.987 54.000 0.132 0.000 0.830 117 D CB -0.681 40.191 40.800 0.119 0.000 0.959 117 D HN 0.712 nan 8.370 nan 0.000 0.452 118 A N 0.875 123.761 122.820 0.109 0.000 1.902 118 A HA -0.226 4.094 4.320 0.001 0.000 0.217 118 A C 2.167 179.812 177.584 0.102 0.000 1.181 118 A CA 1.484 53.577 52.037 0.092 0.000 0.623 118 A CB -0.655 18.389 19.000 0.074 0.000 0.818 118 A HN 0.233 nan 8.150 nan 0.000 0.443 119 Q N -0.320 119.566 119.800 0.145 0.000 2.096 119 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 119 Q C 2.114 178.265 176.000 0.251 0.000 0.982 119 Q CA 1.898 57.853 55.803 0.253 0.000 0.850 119 Q CB -0.203 28.679 28.738 0.239 0.000 0.901 119 Q HN 0.644 nan 8.270 nan 0.000 0.422 120 K N 0.576 121.054 120.400 0.130 0.000 2.057 120 K HA -0.163 4.158 4.320 0.001 0.000 0.206 120 K C 1.934 178.618 176.600 0.140 0.000 1.050 120 K CA 1.285 57.579 56.287 0.013 0.000 0.935 120 K CB 0.014 32.362 32.500 -0.254 0.000 0.715 120 K HN 0.214 nan 8.250 nan 0.000 0.439 121 E N 0.680 121.012 120.200 0.219 0.000 2.150 121 E HA -0.148 4.203 4.350 0.001 0.000 0.193 121 E C 1.949 178.592 176.600 0.072 0.000 0.985 121 E CA 0.932 57.460 56.400 0.213 0.000 0.814 121 E CB 0.157 29.949 29.700 0.153 0.000 0.752 121 E HN 0.161 nan 8.360 nan 0.000 0.466 122 K N -0.343 120.053 120.400 -0.007 0.000 2.076 122 K HA -0.104 4.216 4.320 0.001 0.000 0.204 122 K C 1.292 177.767 176.600 -0.209 0.000 1.051 122 K CA 1.116 57.293 56.287 -0.183 0.000 0.949 122 K CB 0.158 32.436 32.500 -0.369 0.000 0.726 122 K HN 0.121 nan 8.250 nan 0.000 0.443 123 Y N 0.332 120.729 120.300 0.163 0.000 2.464 123 Y HA 0.101 4.651 4.550 0.001 0.000 0.288 123 Y C 1.961 177.922 175.900 0.101 0.000 1.133 123 Y CA 0.114 58.348 58.100 0.223 0.000 1.223 123 Y CB -0.181 38.424 38.460 0.242 0.000 1.187 123 Y HN -0.122 nan 8.280 nan 0.000 0.539 124 L N 0.415 121.767 121.223 0.216 0.000 1.990 124 L HA -0.202 4.139 4.340 0.001 0.000 0.213 124 L C -0.510 176.396 176.870 0.061 0.000 1.072 124 L CA 1.715 56.627 54.840 0.120 0.000 0.755 124 L CB -1.863 40.236 42.059 0.068 0.000 0.889 124 L HN 0.167 nan 8.230 nan 0.000 0.432 125 P HA -0.174 nan 4.420 nan 0.000 0.216 125 P C 1.315 178.549 177.300 -0.110 0.000 1.150 125 P CA 1.470 64.549 63.100 -0.035 0.000 0.837 125 P CB 0.022 31.688 31.700 -0.057 0.000 0.786 126 K N -1.050 119.229 120.400 -0.201 0.000 2.243 126 K HA 0.083 4.404 4.320 0.001 0.000 0.201 126 K C 1.975 178.509 176.600 -0.110 0.000 1.051 126 K CA 0.625 56.716 56.287 -0.327 0.000 0.970 126 K CB -0.392 31.560 32.500 -0.913 0.000 0.755 126 K HN 0.152 nan 8.250 nan 0.000 0.465 127 L N 0.450 121.691 121.223 0.030 0.000 2.093 127 L HA -0.122 4.218 4.340 0.001 0.000 0.208 127 L C 2.491 179.392 176.870 0.051 0.000 1.085 127 L CA 0.929 55.830 54.840 0.101 0.000 0.755 127 L CB -0.453 41.690 42.059 0.140 0.000 0.904 127 L HN 0.155 nan 8.230 nan 0.000 0.435 128 A N 0.121 122.946 122.820 0.007 0.000 1.933 128 A HA -0.203 4.118 4.320 0.001 0.000 0.218 128 A C 2.368 179.938 177.584 -0.024 0.000 1.175 128 A CA 2.209 54.235 52.037 -0.019 0.000 0.628 128 A CB -0.875 18.103 19.000 -0.038 0.000 0.814 128 A HN 0.501 nan 8.150 nan 0.000 0.444 129 T N -4.572 109.962 114.554 -0.033 0.000 3.081 129 T HA 0.384 4.735 4.350 0.001 0.000 0.255 129 T C 1.428 176.130 174.700 0.004 0.000 1.113 129 T CA 1.114 63.193 62.100 -0.036 0.000 1.082 129 T CB 0.070 68.900 68.868 -0.063 0.000 0.939 129 T HN 1.714 nan 8.240 nan 0.000 0.506 130 G N 1.151 109.979 108.800 0.046 0.000 2.157 130 G HA2 -0.298 3.663 3.960 0.001 0.000 0.248 130 G HA3 -0.298 3.663 3.960 0.001 0.000 0.248 130 G C 0.543 175.507 174.900 0.106 0.000 0.979 130 G CA 0.491 45.669 45.100 0.129 0.000 0.650 130 G HN 0.555 nan 8.290 nan 0.000 0.529 131 E N -1.281 118.941 120.200 0.036 0.000 2.051 131 E HA -0.052 4.298 4.350 0.001 0.000 0.192 131 E C 0.432 177.163 176.600 0.217 0.000 0.991 131 E CA 0.796 57.218 56.400 0.035 0.000 0.799 131 E CB 0.059 29.681 29.700 -0.130 0.000 0.748 131 E HN 0.485 nan 8.360 nan 0.000 0.449 132 W N 0.727 122.024 121.300 -0.005 0.000 2.469 132 W HA 0.437 5.098 4.660 0.001 0.000 0.320 132 W C -0.310 176.138 176.519 -0.119 0.000 1.086 132 W CA -1.013 56.311 57.345 -0.035 0.000 1.211 132 W CB 0.308 29.785 29.460 0.028 0.000 1.298 132 W HN -0.054 nan 8.180 nan 0.000 0.525 133 I N 2.925 123.474 120.570 -0.035 0.000 2.359 133 I HA 0.526 4.697 4.170 0.001 0.000 0.294 133 I C 0.942 176.897 176.117 -0.271 0.000 0.987 133 I CA -0.410 60.684 61.300 -0.345 0.000 1.225 133 I CB 1.044 38.632 38.000 -0.688 0.000 1.366 133 I HN 0.406 nan 8.210 nan 0.000 0.466 134 G N 4.448 113.125 108.800 -0.205 0.000 2.441 134 G HA2 0.642 4.603 3.960 0.001 0.000 0.334 134 G HA3 0.642 4.603 3.960 0.001 0.000 0.334 134 G C -0.848 173.957 174.900 -0.159 0.000 1.161 134 G CA -0.492 44.503 45.100 -0.175 0.000 0.935 134 G HN 0.864 nan 8.290 nan 0.000 0.488 135 C N -0.901 118.295 119.300 -0.174 0.000 3.080 135 C HA 0.863 5.324 4.460 0.001 0.000 0.307 135 C C -0.907 174.190 174.990 0.177 0.000 1.311 135 C CA -1.535 57.480 59.018 -0.005 0.000 1.533 135 C CB 0.958 28.645 27.740 -0.088 0.000 1.970 135 C HN 0.661 nan 8.230 nan 0.000 0.467 136 F N 1.098 121.118 119.950 0.117 0.000 2.449 136 F HA 0.644 5.172 4.527 0.001 0.000 0.342 136 F C 0.450 176.404 175.800 0.258 0.000 1.127 136 F CA -0.073 58.058 58.000 0.218 0.000 0.975 136 F CB 1.546 40.691 39.000 0.242 0.000 1.146 136 F HN 1.042 nan 8.300 nan 0.000 0.444 137 G N 6.900 115.645 108.800 -0.092 0.000 3.428 137 G HA2 0.388 4.348 3.960 0.001 0.000 0.344 137 G HA3 0.388 4.348 3.960 0.001 0.000 0.344 137 G C -0.381 174.480 174.900 -0.064 0.000 1.256 137 G CA -0.239 44.854 45.100 -0.012 0.000 1.209 137 G HN 0.710 nan 8.290 nan 0.000 0.470 138 L N 1.554 122.721 121.223 -0.094 0.000 2.515 138 L HA 0.445 4.786 4.340 0.001 0.000 0.202 138 L C 1.197 178.115 176.870 0.080 0.000 1.056 138 L CA 1.033 55.857 54.840 -0.027 0.000 0.847 138 L CB 0.047 42.052 42.059 -0.089 0.000 1.131 138 L HN 0.177 nan 8.230 nan 0.000 0.484 139 T N 1.884 116.523 114.554 0.142 0.000 2.851 139 T HA 0.278 4.629 4.350 0.001 0.000 0.298 139 T C -0.262 174.511 174.700 0.123 0.000 0.977 139 T CA -0.062 62.124 62.100 0.144 0.000 1.126 139 T CB 0.509 69.493 68.868 0.194 0.000 0.916 139 T HN 0.245 nan 8.240 nan 0.000 0.529 140 E N 2.543 122.800 120.200 0.094 0.000 2.281 140 E HA 0.470 4.821 4.350 0.001 0.000 0.262 140 E C -2.079 174.569 176.600 0.080 0.000 0.933 140 E CA -1.940 54.504 56.400 0.074 0.000 0.809 140 E CB 0.937 30.666 29.700 0.049 0.000 1.242 140 E HN 0.404 nan 8.360 nan 0.000 0.418 151 V N -1.707 118.216 119.914 0.016 0.000 2.992 151 V HA 0.166 4.287 4.120 0.001 0.000 0.250 151 V C 0.892 176.986 176.094 -0.001 0.000 1.090 151 V CA 1.155 63.459 62.300 0.006 0.000 1.101 151 V CB -0.210 31.614 31.823 0.002 0.000 0.743 151 V HN 0.909 nan 8.190 nan 0.000 0.468 152 T N 3.321 117.875 114.554 0.000 0.000 2.792 152 T HA 0.259 4.609 4.350 0.001 0.000 0.286 152 T C 0.078 174.761 174.700 -0.029 0.000 0.970 152 T CA 0.596 62.683 62.100 -0.021 0.000 1.187 152 T CB -0.093 68.763 68.868 -0.021 0.000 0.915 152 T HN 0.493 nan 8.240 nan 0.000 0.529 153 R N 1.483 121.951 120.500 -0.054 0.000 2.711 153 R HA 0.661 5.002 4.340 0.001 0.000 0.284 153 R C -0.466 175.763 176.300 -0.119 0.000 0.968 153 R CA -0.728 55.339 56.100 -0.055 0.000 0.924 153 R CB 1.558 31.841 30.300 -0.028 0.000 1.162 153 R HN 0.664 nan 8.270 nan 0.000 0.465 154 A N 2.785 125.535 122.820 -0.117 0.000 2.274 154 A HA 0.433 4.754 4.320 0.001 0.000 0.309 154 A C -0.476 177.099 177.584 -0.016 0.000 1.226 154 A CA -0.427 51.507 52.037 -0.171 0.000 0.853 154 A CB 0.583 19.463 19.000 -0.201 0.000 1.146 154 A HN 0.673 nan 8.150 nan 0.000 0.518 155 R N 2.453 122.970 120.500 0.027 0.000 2.388 155 R HA 0.270 4.611 4.340 0.001 0.000 0.314 155 R C -0.674 175.722 176.300 0.160 0.000 0.959 155 R CA -0.506 55.641 56.100 0.079 0.000 0.851 155 R CB 0.992 31.314 30.300 0.036 0.000 1.168 155 R HN 0.815 nan 8.270 nan 0.000 0.472 156 K N 1.780 122.301 120.400 0.200 0.000 2.469 156 K HA 0.030 4.350 4.320 0.001 0.000 0.274 156 K C 0.745 177.385 176.600 0.067 0.000 0.983 156 K CA -0.180 56.207 56.287 0.167 0.000 0.974 156 K CB 0.736 33.327 32.500 0.151 0.000 0.913 156 K HN 0.329 nan 8.250 nan 0.000 0.493 157 V N -0.050 119.871 119.914 0.011 0.000 6.922 157 V HA 0.351 4.472 4.120 0.001 0.000 0.263 157 V C -1.254 174.849 176.094 0.014 0.000 1.682 157 V CA -1.032 61.291 62.300 0.039 0.000 0.590 157 V CB -1.685 30.211 31.823 0.121 0.000 1.604 157 V HN 0.796 nan 8.190 nan 0.000 0.353 158 P HA -0.270 nan 4.420 nan 0.000 0.290 158 P C 1.073 178.413 177.300 0.067 0.000 1.746 158 P CA 1.918 65.039 63.100 0.035 0.000 1.606 158 P CB -1.440 30.271 31.700 0.020 0.000 0.470 159 G N -0.247 108.699 108.800 0.244 0.000 2.896 159 G HA2 0.123 4.084 3.960 0.001 0.000 0.656 159 G HA3 0.123 4.084 3.960 0.001 0.000 0.656 159 G C 0.714 175.579 174.900 -0.059 0.000 1.036 159 G CA 1.669 46.950 45.100 0.301 0.000 0.822 159 G HN 1.752 nan 8.290 nan 0.000 0.897 160 G N -4.009 104.590 108.800 -0.334 0.000 2.462 160 G HA2 0.439 4.400 3.960 0.001 0.000 0.685 160 G HA3 0.439 4.400 3.960 0.001 0.000 0.685 160 G C -0.934 173.525 174.900 -0.736 0.000 1.295 160 G CA 0.008 44.799 45.100 -0.516 0.000 0.941 160 G HN 1.549 nan 8.290 nan 0.000 0.554 161 Y N -0.980 119.197 120.300 -0.204 0.000 2.588 161 Y HA 0.741 5.291 4.550 0.001 0.000 0.343 161 Y C 0.430 176.248 175.900 -0.137 0.000 1.065 161 Y CA -0.418 57.623 58.100 -0.098 0.000 1.038 161 Y CB 2.515 40.945 38.460 -0.050 0.000 1.297 161 Y HN 0.830 nan 8.280 nan 0.000 0.467 162 S N 2.408 118.160 115.700 0.087 0.000 2.516 162 S HA 0.498 4.969 4.470 0.001 0.000 0.268 162 S C -1.281 173.278 174.600 -0.068 0.000 1.251 162 S CA -0.473 57.747 58.200 0.034 0.000 1.153 162 S CB -0.532 62.715 63.200 0.080 0.000 1.009 162 S HN 0.495 nan 8.310 nan 0.000 0.479 163 L N 3.504 124.623 121.223 -0.174 0.000 2.380 163 L HA 0.536 4.876 4.340 0.001 0.000 0.273 163 L C 0.478 177.255 176.870 -0.155 0.000 1.138 163 L CA 0.586 55.274 54.840 -0.253 0.000 0.832 163 L CB 1.508 43.317 42.059 -0.417 0.000 1.124 163 L HN 0.557 nan 8.230 nan 0.000 0.454 164 S N 0.912 116.534 115.700 -0.131 0.000 2.548 164 S HA 0.927 5.398 4.470 0.001 0.000 0.276 164 S C -0.382 174.171 174.600 -0.079 0.000 1.129 164 S CA 0.142 58.288 58.200 -0.091 0.000 0.931 164 S CB 1.470 64.633 63.200 -0.061 0.000 1.068 164 S HN 1.038 nan 8.310 nan 0.000 0.480 165 G N 1.696 110.456 108.800 -0.068 0.000 2.352 165 G HA2 0.406 4.367 3.960 0.001 0.000 0.283 165 G HA3 0.406 4.367 3.960 0.001 0.000 0.283 165 G C -1.601 173.272 174.900 -0.045 0.000 1.308 165 G CA -0.462 44.609 45.100 -0.049 0.000 0.892 165 G HN 0.829 nan 8.290 nan 0.000 0.504 166 S N 0.042 115.726 115.700 -0.028 0.000 2.575 166 S HA 0.680 5.151 4.470 0.001 0.000 0.278 166 S C -0.819 173.781 174.600 0.000 0.000 1.139 166 S CA -0.788 57.399 58.200 -0.022 0.000 0.954 166 S CB 1.744 64.929 63.200 -0.024 0.000 1.054 166 S HN 0.586 nan 8.310 nan 0.000 0.483 167 K N 1.950 122.355 120.400 0.009 0.000 2.156 167 K HA 0.627 4.947 4.320 0.001 0.000 0.254 167 K C -0.738 175.887 176.600 0.041 0.000 0.950 167 K CA -0.792 55.522 56.287 0.045 0.000 0.849 167 K CB 1.747 34.287 32.500 0.066 0.000 1.100 167 K HN 0.524 nan 8.250 nan 0.000 0.434 168 M N 0.807 120.455 119.600 0.080 0.000 2.530 168 M HA 0.300 4.780 4.480 0.001 0.000 0.307 168 M C -1.454 174.969 176.300 0.204 0.000 1.161 168 M CA -0.154 55.166 55.300 0.035 0.000 0.903 168 M CB 0.981 33.603 32.600 0.036 0.000 1.711 168 M HN 0.619 nan 8.290 nan 0.000 0.451 169 W N 4.498 125.854 121.300 0.094 0.000 5.324 169 W HA -0.158 4.503 4.660 0.001 0.000 0.404 169 W C -0.906 175.729 176.519 0.194 0.000 1.566 169 W CA -0.191 57.237 57.345 0.137 0.000 0.927 169 W CB -1.583 27.966 29.460 0.148 0.000 2.757 169 W HN 0.364 nan 8.180 nan 0.000 1.382 170 I N 1.366 122.099 120.570 0.272 0.000 2.291 170 I HA 0.139 4.310 4.170 0.001 0.000 0.290 170 I C 1.172 177.417 176.117 0.213 0.000 1.050 170 I CA -0.238 61.216 61.300 0.256 0.000 1.245 170 I CB 0.278 38.398 38.000 0.199 0.000 1.405 170 I HN 0.019 nan 8.210 nan 0.000 0.478 171 T N 5.465 120.161 114.554 0.238 0.000 2.901 171 T HA 0.137 4.487 4.350 0.001 0.000 0.301 171 T C 1.021 175.814 174.700 0.154 0.000 1.012 171 T CA 0.483 62.697 62.100 0.190 0.000 1.135 171 T CB 0.300 69.274 68.868 0.177 0.000 0.936 171 T HN 0.704 nan 8.240 nan 0.000 0.539 172 N N 1.204 119.985 118.700 0.136 0.000 2.920 172 N HA -0.240 4.501 4.740 0.001 0.000 0.199 172 N C 1.469 176.967 175.510 -0.020 0.000 0.997 172 N CA 1.985 55.080 53.050 0.074 0.000 1.034 172 N CB -1.983 36.528 38.487 0.040 0.000 0.977 172 N HN 0.813 nan 8.380 nan 0.000 0.579 173 S N 0.717 116.424 115.700 0.012 0.000 2.374 173 S HA -0.063 4.408 4.470 0.001 0.000 0.227 173 S C -0.860 173.776 174.600 0.061 0.000 1.037 173 S CA 1.819 60.030 58.200 0.017 0.000 1.024 173 S CB -1.020 62.266 63.200 0.143 0.000 0.861 173 S HN 0.286 nan 8.310 nan 0.000 0.456 174 P HA 0.092 nan 4.420 nan 0.000 0.225 174 P C 1.196 178.520 177.300 0.041 0.000 1.148 174 P CA 0.908 64.040 63.100 0.054 0.000 0.779 174 P CB -0.301 31.416 31.700 0.028 0.000 0.780 175 I N -6.733 113.834 120.570 -0.005 0.000 4.147 175 I HA 0.474 4.645 4.170 0.001 0.000 0.329 175 I C 0.436 176.468 176.117 -0.141 0.000 1.424 175 I CA -0.765 60.513 61.300 -0.037 0.000 1.127 175 I CB 0.151 38.147 38.000 -0.008 0.000 1.128 175 I HN -0.305 nan 8.210 nan 0.000 0.417 176 A N 1.485 124.167 122.820 -0.230 0.000 2.388 176 A HA 0.257 4.578 4.320 0.001 0.000 0.257 176 A C 0.525 177.871 177.584 -0.397 0.000 1.095 176 A CA -0.110 51.656 52.037 -0.451 0.000 0.791 176 A CB 0.274 18.791 19.000 -0.806 0.000 1.029 176 A HN 0.381 nan 8.150 nan 0.000 0.489 177 D N 0.615 120.802 120.400 -0.354 0.000 2.262 177 D HA 0.080 4.720 4.640 0.001 0.000 0.212 177 D C -0.010 176.118 176.300 -0.286 0.000 0.964 177 D CA 1.182 55.006 54.000 -0.293 0.000 0.875 177 D CB 0.328 40.888 40.800 -0.400 0.000 0.996 177 D HN 0.267 nan 8.370 nan 0.000 0.497 178 V N 1.520 121.215 119.914 -0.365 0.000 2.448 178 V HA 0.321 4.442 4.120 0.001 0.000 0.295 178 V C -0.808 175.065 176.094 -0.369 0.000 1.025 178 V CA -0.673 61.480 62.300 -0.245 0.000 0.859 178 V CB 1.498 33.225 31.823 -0.161 0.000 0.988 178 V HN -0.099 nan 8.190 nan 0.000 0.431 179 F N 3.278 123.150 119.950 -0.131 0.000 2.403 179 F HA 0.496 5.024 4.527 0.001 0.000 0.355 179 F C 0.126 175.856 175.800 -0.117 0.000 1.119 179 F CA -0.906 57.042 58.000 -0.087 0.000 1.007 179 F CB 1.843 40.793 39.000 -0.083 0.000 1.194 179 F HN 0.186 nan 8.300 nan 0.000 0.443 180 V N 5.307 125.247 119.914 0.043 0.000 2.284 180 V HA 0.226 4.346 4.120 0.001 0.000 0.260 180 V C -0.097 175.878 176.094 -0.198 0.000 1.084 180 V CA -0.534 61.716 62.300 -0.082 0.000 0.894 180 V CB 0.499 32.343 31.823 0.035 0.000 1.119 180 V HN 0.470 nan 8.190 nan 0.000 0.484 181 V N 4.209 123.991 119.914 -0.220 0.000 2.427 181 V HA 0.424 4.545 4.120 0.001 0.000 0.286 181 V C -0.559 175.387 176.094 -0.246 0.000 1.034 181 V CA -0.762 61.441 62.300 -0.162 0.000 0.893 181 V CB 1.480 33.271 31.823 -0.054 0.000 0.982 181 V HN 0.846 nan 8.190 nan 0.000 0.452 182 W N 3.546 124.828 121.300 -0.030 0.000 2.349 182 W HA 0.754 5.414 4.660 0.001 0.000 0.309 182 W C 0.176 176.728 176.519 0.055 0.000 1.083 182 W CA -0.124 57.234 57.345 0.022 0.000 1.224 182 W CB 1.468 30.885 29.460 -0.071 0.000 1.256 182 W HN 0.714 nan 8.180 nan 0.000 0.461 183 A N 2.920 125.941 122.820 0.335 0.000 2.566 183 A HA 0.743 5.064 4.320 0.001 0.000 0.292 183 A C -0.992 176.715 177.584 0.205 0.000 1.112 183 A CA -1.181 50.969 52.037 0.189 0.000 0.707 183 A CB 1.543 20.540 19.000 -0.006 0.000 1.302 183 A HN 0.510 nan 8.150 nan 0.000 0.409 184 K N -0.036 120.425 120.400 0.102 0.000 2.143 184 K HA 0.593 4.914 4.320 0.001 0.000 0.272 184 K C -1.646 174.990 176.600 0.059 0.000 1.001 184 K CA -0.502 55.831 56.287 0.077 0.000 0.915 184 K CB 1.595 34.122 32.500 0.045 0.000 1.047 184 K HN 0.461 nan 8.250 nan 0.000 0.458 185 L N 3.134 124.387 121.223 0.050 0.000 2.470 185 L HA 0.269 4.609 4.340 0.001 0.000 0.268 185 L C -1.437 175.448 176.870 0.025 0.000 0.964 185 L CA -0.552 54.308 54.840 0.034 0.000 0.839 185 L CB 1.618 43.689 42.059 0.020 0.000 1.276 185 L HN 0.650 nan 8.230 nan 0.000 0.403 186 D N 2.994 123.412 120.400 0.030 0.000 2.229 186 D HA 0.383 5.024 4.640 0.001 0.000 0.249 186 D C -0.477 175.842 176.300 0.033 0.000 1.027 186 D CA -0.386 53.629 54.000 0.026 0.000 0.923 186 D CB 1.444 42.257 40.800 0.023 0.000 1.174 186 D HN 0.607 nan 8.370 nan 0.000 0.443 192 E N 1.218 121.424 120.200 0.011 0.000 2.288 192 E HA 0.534 4.885 4.350 0.001 0.000 0.268 192 E C -0.134 176.482 176.600 0.025 0.000 0.885 192 E CA -0.848 55.556 56.400 0.007 0.000 0.767 192 E CB 2.542 32.237 29.700 -0.009 0.000 1.220 192 E HN 0.278 nan 8.360 nan 0.000 0.427 193 I N 3.179 123.773 120.570 0.039 0.000 2.471 193 I HA 0.188 4.359 4.170 0.001 0.000 0.286 193 I C 0.213 176.393 176.117 0.104 0.000 1.079 193 I CA -0.214 61.145 61.300 0.098 0.000 1.398 193 I CB 0.053 38.118 38.000 0.108 0.000 1.403 193 I HN 0.173 nan 8.210 nan 0.000 0.530 194 R N 4.430 124.992 120.500 0.103 0.000 2.854 194 R HA 0.651 4.991 4.340 0.001 0.000 0.271 194 R C -0.197 175.963 176.300 -0.234 0.000 0.996 194 R CA -1.024 54.999 56.100 -0.128 0.000 0.961 194 R CB 1.463 31.505 30.300 -0.430 0.000 1.182 194 R HN 0.734 nan 8.270 nan 0.000 0.479 195 G N 0.816 109.234 108.800 -0.636 0.000 2.371 195 G HA2 0.641 4.601 3.960 0.001 0.000 0.326 195 G HA3 0.641 4.601 3.960 0.001 0.000 0.326 195 G C -1.151 173.117 174.900 -1.054 0.000 1.127 195 G CA -0.272 44.160 45.100 -1.113 0.000 0.885 195 G HN 0.255 nan 8.290 nan 0.000 0.477 196 F N 0.316 119.942 119.950 -0.541 0.000 2.565 196 F HA 0.529 5.057 4.527 0.001 0.000 0.313 196 F C 0.156 175.780 175.800 -0.293 0.000 1.091 196 F CA -0.787 57.014 58.000 -0.331 0.000 0.915 196 F CB 2.433 41.275 39.000 -0.264 0.000 1.208 196 F HN 0.199 nan 8.300 nan 0.000 0.453 197 I N 4.039 124.585 120.570 -0.041 0.000 2.377 197 I HA 0.512 4.682 4.170 0.001 0.000 0.293 197 I C -0.987 175.109 176.117 -0.035 0.000 0.987 197 I CA -0.590 60.642 61.300 -0.113 0.000 1.185 197 I CB 1.422 39.268 38.000 -0.257 0.000 1.341 197 I HN 0.344 nan 8.210 nan 0.000 0.455 198 L N 5.780 126.999 121.223 -0.008 0.000 2.309 198 L HA 0.585 4.925 4.340 0.001 0.000 0.261 198 L C -0.518 176.417 176.870 0.108 0.000 1.021 198 L CA -0.456 54.392 54.840 0.014 0.000 0.823 198 L CB 1.984 43.995 42.059 -0.080 0.000 1.366 198 L HN 0.508 nan 8.230 nan 0.000 0.423 199 E N 0.236 120.469 120.200 0.055 0.000 2.293 199 E HA 0.317 4.667 4.350 0.001 0.000 0.270 199 E C -1.352 175.277 176.600 0.049 0.000 0.879 199 E CA -1.096 55.340 56.400 0.061 0.000 0.756 199 E CB 2.473 32.155 29.700 -0.030 0.000 1.208 199 E HN 0.312 nan 8.360 nan 0.000 0.428 200 K N 0.547 121.024 120.400 0.127 0.000 2.472 200 K HA 0.076 4.397 4.320 0.001 0.000 0.280 200 K C 0.745 177.344 176.600 -0.001 0.000 1.028 200 K CA 1.537 57.884 56.287 0.101 0.000 1.045 200 K CB 0.078 32.641 32.500 0.105 0.000 0.902 200 K HN 0.783 nan 8.250 nan 0.000 0.478 201 G N 2.782 111.568 108.800 -0.023 0.000 2.307 201 G HA2 -0.275 3.686 3.960 0.001 0.000 0.210 201 G HA3 -0.275 3.686 3.960 0.001 0.000 0.210 201 G C 0.259 175.137 174.900 -0.036 0.000 1.005 201 G CA -0.196 44.889 45.100 -0.024 0.000 0.634 201 G HN 0.789 nan 8.290 nan 0.000 0.496 202 C N 3.917 123.185 119.300 -0.053 0.000 2.334 202 C HA 0.382 4.843 4.460 0.001 0.000 0.395 202 C C 1.229 176.181 174.990 -0.062 0.000 1.507 202 C CA 0.255 59.241 59.018 -0.053 0.000 1.494 202 C CB -0.856 26.826 27.740 -0.097 0.000 2.509 202 C HN 0.430 nan 8.230 nan 0.000 0.599 203 K N 4.766 125.150 120.400 -0.026 0.000 2.322 203 K HA 0.423 4.744 4.320 0.001 0.000 0.283 203 K C 1.200 177.776 176.600 -0.040 0.000 1.042 203 K CA 0.647 56.916 56.287 -0.031 0.000 0.958 203 K CB 0.629 33.120 32.500 -0.016 0.000 0.984 203 K HN 1.123 nan 8.250 nan 0.000 0.473 204 G N 1.819 110.585 108.800 -0.057 0.000 2.241 204 G HA2 -0.258 3.703 3.960 0.001 0.000 0.244 204 G HA3 -0.258 3.703 3.960 0.001 0.000 0.244 204 G C -0.267 174.568 174.900 -0.108 0.000 0.998 204 G CA -0.023 45.036 45.100 -0.068 0.000 0.621 204 G HN 0.500 nan 8.290 nan 0.000 0.519 205 L N 2.442 123.577 121.223 -0.147 0.000 2.289 205 L HA 0.787 5.128 4.340 0.001 0.000 0.285 205 L C 0.261 177.006 176.870 -0.208 0.000 1.049 205 L CA 0.325 55.023 54.840 -0.236 0.000 0.804 205 L CB 1.720 43.560 42.059 -0.366 0.000 1.195 205 L HN 0.751 nan 8.230 nan 0.000 0.428 206 S N 3.357 118.940 115.700 -0.195 0.000 2.556 206 S HA 0.913 5.383 4.470 0.001 0.000 0.271 206 S C -0.727 173.818 174.600 -0.092 0.000 1.135 206 S CA -0.298 57.828 58.200 -0.123 0.000 0.858 206 S CB 1.771 64.926 63.200 -0.076 0.000 1.114 206 S HN 1.065 nan 8.310 nan 0.000 0.468 207 A N 2.081 124.890 122.820 -0.019 0.000 3.266 207 A HA 0.650 4.971 4.320 0.001 0.000 0.310 207 A C -2.931 174.671 177.584 0.030 0.000 1.066 207 A CA -1.267 50.799 52.037 0.048 0.000 0.839 207 A CB 0.188 19.313 19.000 0.208 0.000 1.192 207 A HN 0.603 nan 8.150 nan 0.000 0.496 208 P HA 0.415 nan 4.420 nan 0.000 0.275 208 P C 0.343 177.609 177.300 -0.058 0.000 1.227 208 P CA 0.161 63.249 63.100 -0.020 0.000 0.781 208 P CB 1.283 32.966 31.700 -0.029 0.000 0.906 209 A N 3.443 126.219 122.820 -0.073 0.000 2.386 209 A HA 0.419 4.740 4.320 0.001 0.000 0.246 209 A C 0.195 177.587 177.584 -0.320 0.000 1.089 209 A CA -0.287 51.627 52.037 -0.205 0.000 0.790 209 A CB -0.256 18.582 19.000 -0.270 0.000 1.042 209 A HN 0.545 nan 8.150 nan 0.000 0.497 210 I N 0.682 120.993 120.570 -0.432 0.000 2.410 210 I HA 0.331 4.501 4.170 0.001 0.000 0.286 210 I C -0.538 175.326 176.117 -0.423 0.000 1.009 210 I CA -0.137 60.930 61.300 -0.388 0.000 1.111 210 I CB 1.555 39.297 38.000 -0.431 0.000 1.262 210 I HN 0.780 nan 8.210 nan 0.000 0.443 211 H N 3.109 122.162 119.070 -0.029 0.000 2.676 211 H HA 0.636 5.193 4.556 0.001 0.000 0.352 211 H C 0.692 176.033 175.328 0.021 0.000 1.193 211 H CA -0.219 55.830 56.048 0.002 0.000 1.243 211 H CB 1.656 31.418 29.762 0.000 0.000 1.751 211 H HN 0.763 nan 8.280 nan 0.000 0.567 212 G N 1.167 110.065 108.800 0.164 0.000 2.256 212 G HA2 -0.274 3.686 3.960 0.001 0.000 0.272 212 G HA3 -0.274 3.686 3.960 0.001 0.000 0.272 212 G C -0.206 174.751 174.900 0.096 0.000 1.076 212 G CA -0.201 44.958 45.100 0.098 0.000 0.882 212 G HN 0.461 nan 8.290 nan 0.000 0.497 213 K N -0.854 119.596 120.400 0.085 0.000 2.202 213 K HA 0.489 4.809 4.320 0.001 0.000 0.264 213 K C 1.550 178.157 176.600 0.013 0.000 1.010 213 K CA -0.259 56.087 56.287 0.097 0.000 0.940 213 K CB 1.470 34.038 32.500 0.113 0.000 0.983 213 K HN 0.019 nan 8.250 nan 0.000 0.475 214 V N 0.964 120.898 119.914 0.033 0.000 2.341 214 V HA 0.008 4.128 4.120 0.001 0.000 0.240 214 V C 1.097 177.218 176.094 0.045 0.000 1.035 214 V CA 1.375 63.692 62.300 0.028 0.000 1.033 214 V CB -0.111 31.739 31.823 0.045 0.000 0.678 214 V HN 0.926 nan 8.190 nan 0.000 0.464 215 G N -1.721 107.119 108.800 0.066 0.000 2.552 215 G HA2 0.524 4.485 3.960 0.001 0.000 0.324 215 G HA3 0.524 4.485 3.960 0.001 0.000 0.324 215 G C -0.136 174.815 174.900 0.084 0.000 1.217 215 G CA -0.730 44.452 45.100 0.137 0.000 0.989 215 G HN 0.338 nan 8.290 nan 0.000 0.490 216 L N -1.032 120.282 121.223 0.152 0.000 3.839 216 L HA -0.238 4.103 4.340 0.001 0.000 0.416 216 L C 2.266 179.137 176.870 0.001 0.000 1.195 216 L CA 0.128 55.021 54.840 0.088 0.000 0.946 216 L CB -0.901 41.199 42.059 0.068 0.000 1.891 216 L HN 0.659 nan 8.230 nan 0.000 0.963 217 R N 0.196 120.590 120.500 -0.177 0.000 2.152 217 R HA -0.091 4.250 4.340 0.001 0.000 0.232 217 R C 2.192 178.384 176.300 -0.180 0.000 1.117 217 R CA 1.361 57.243 56.100 -0.363 0.000 0.981 217 R CB -0.157 29.535 30.300 -1.014 0.000 0.870 217 R HN 0.605 nan 8.270 nan 0.000 0.451 218 A N 1.298 124.070 122.820 -0.081 0.000 2.066 218 A HA -0.037 4.283 4.320 0.001 0.000 0.218 218 A C 1.145 178.714 177.584 -0.024 0.000 1.157 218 A CA 0.580 52.560 52.037 -0.094 0.000 0.670 218 A CB -0.065 18.720 19.000 -0.357 0.000 0.804 218 A HN 0.341 nan 8.150 nan 0.000 0.453 219 S N -0.759 114.945 115.700 0.008 0.000 2.585 219 S HA 0.612 5.082 4.470 0.001 0.000 0.277 219 S C -0.212 174.447 174.600 0.099 0.000 1.241 219 S CA -0.702 57.552 58.200 0.089 0.000 1.041 219 S CB 1.065 64.322 63.200 0.096 0.000 0.987 219 S HN 0.414 nan 8.310 nan 0.000 0.512 220 I N 2.086 122.736 120.570 0.133 0.000 2.396 220 I HA 0.482 4.653 4.170 0.001 0.000 0.292 220 I C -0.679 175.499 176.117 0.102 0.000 0.999 220 I CA 0.197 61.559 61.300 0.102 0.000 1.310 220 I CB 1.238 39.305 38.000 0.110 0.000 1.404 220 I HN 0.805 nan 8.210 nan 0.000 0.496 221 T N 5.056 119.647 114.554 0.060 0.000 2.909 221 T HA 0.798 5.149 4.350 0.001 0.000 0.299 221 T C -0.263 174.420 174.700 -0.028 0.000 1.073 221 T CA -0.594 61.554 62.100 0.080 0.000 0.999 221 T CB 1.798 70.780 68.868 0.190 0.000 1.098 221 T HN 0.890 nan 8.240 nan 0.000 0.477 222 G N 0.752 109.541 108.800 -0.020 0.000 2.731 222 G HA2 0.695 4.656 3.960 0.001 0.000 0.309 222 G HA3 0.695 4.656 3.960 0.001 0.000 0.309 222 G C -1.648 173.210 174.900 -0.070 0.000 1.273 222 G CA -0.938 44.109 45.100 -0.087 0.000 0.798 222 G HN 0.741 nan 8.290 nan 0.000 0.509 223 E N -1.170 118.989 120.200 -0.068 0.000 2.259 223 E HA 0.690 5.041 4.350 0.001 0.000 0.257 223 E C -1.059 175.558 176.600 0.029 0.000 0.998 223 E CA -0.937 55.439 56.400 -0.039 0.000 0.866 223 E CB 2.547 32.194 29.700 -0.090 0.000 1.220 223 E HN 0.277 nan 8.360 nan 0.000 0.415 224 I N 1.504 122.092 120.570 0.030 0.000 2.420 224 I HA 0.177 4.348 4.170 0.001 0.000 0.282 224 I C -1.045 175.047 176.117 -0.041 0.000 1.019 224 I CA -0.948 60.362 61.300 0.017 0.000 1.130 224 I CB 1.764 39.805 38.000 0.069 0.000 1.262 224 I HN 0.235 nan 8.210 nan 0.000 0.454 225 V N 7.741 127.612 119.914 -0.072 0.000 2.348 225 V HA 0.334 4.455 4.120 0.001 0.000 0.270 225 V C 0.087 176.116 176.094 -0.107 0.000 1.037 225 V CA -0.379 61.874 62.300 -0.077 0.000 0.872 225 V CB 1.220 33.004 31.823 -0.065 0.000 1.002 225 V HN 0.478 nan 8.190 nan 0.000 0.464 226 L N 4.586 125.748 121.223 -0.101 0.000 2.277 226 L HA 0.483 4.824 4.340 0.001 0.000 0.284 226 L C -0.295 176.521 176.870 -0.089 0.000 1.028 226 L CA -0.235 54.535 54.840 -0.117 0.000 0.835 226 L CB 1.225 43.203 42.059 -0.134 0.000 1.215 226 L HN 0.547 nan 8.230 nan 0.000 0.425 227 D N 4.289 124.641 120.400 -0.081 0.000 2.485 227 D HA 0.154 4.794 4.640 0.001 0.000 0.256 227 D C -0.106 176.163 176.300 -0.051 0.000 1.141 227 D CA -0.324 53.641 54.000 -0.059 0.000 0.942 227 D CB 0.342 41.111 40.800 -0.051 0.000 1.003 227 D HN 0.467 nan 8.370 nan 0.000 0.507 228 E N 0.980 121.149 120.200 -0.050 0.000 2.222 228 E HA -0.214 4.137 4.350 0.001 0.000 0.189 228 E C -0.808 175.781 176.600 -0.018 0.000 1.415 228 E CA 0.436 56.817 56.400 -0.032 0.000 0.689 228 E CB -0.824 28.867 29.700 -0.015 0.000 1.107 228 E HN 0.500 nan 8.360 nan 0.000 0.350 229 A N 1.904 124.694 122.820 -0.049 0.000 2.320 229 A HA 0.465 4.786 4.320 0.001 0.000 0.287 229 A C -0.311 177.281 177.584 0.012 0.000 1.181 229 A CA -0.407 51.608 52.037 -0.037 0.000 0.831 229 A CB 0.312 19.244 19.000 -0.113 0.000 1.102 229 A HN 0.352 nan 8.150 nan 0.000 0.513 230 F N 3.669 123.576 119.950 -0.072 0.000 2.456 230 F HA 0.477 5.005 4.527 0.001 0.000 0.358 230 F C -0.290 175.496 175.800 -0.024 0.000 1.095 230 F CA -0.095 57.878 58.000 -0.045 0.000 1.216 230 F CB 0.976 39.953 39.000 -0.037 0.000 1.125 230 F HN 0.247 nan 8.300 nan 0.000 0.549 231 V N 8.541 127.993 119.914 -0.769 0.000 2.380 231 V HA 0.297 4.418 4.120 0.001 0.000 0.286 231 V C -2.131 173.566 176.094 -0.661 0.000 1.015 231 V CA -1.849 60.150 62.300 -0.501 0.000 0.834 231 V CB 1.174 32.916 31.823 -0.134 0.000 1.009 231 V HN 0.644 nan 8.190 nan 0.000 0.428 232 P HA 0.027 nan 4.420 nan 0.000 0.266 232 P C 0.695 177.926 177.300 -0.115 0.000 1.186 232 P CA 0.319 63.226 63.100 -0.320 0.000 0.767 232 P CB 1.192 32.839 31.700 -0.088 0.000 0.820 233 E N 0.859 120.994 120.200 -0.108 0.000 2.333 233 E HA -0.170 4.181 4.350 0.001 0.000 0.198 233 E C 0.964 177.594 176.600 0.049 0.000 1.007 233 E CA 0.892 57.283 56.400 -0.015 0.000 0.845 233 E CB -0.050 29.598 29.700 -0.087 0.000 0.766 233 E HN 0.561 nan 8.360 nan 0.000 0.507 234 E N 0.076 120.297 120.200 0.034 0.000 2.463 234 E HA -0.015 4.336 4.350 0.001 0.000 0.191 234 E C 0.455 177.103 176.600 0.081 0.000 1.083 234 E CA -0.029 56.404 56.400 0.055 0.000 0.872 234 E CB 0.229 29.963 29.700 0.056 0.000 0.966 234 E HN 0.164 nan 8.360 nan 0.000 0.491 235 N N 0.124 118.870 118.700 0.076 0.000 2.210 235 N HA 0.130 4.871 4.740 0.001 0.000 0.203 235 N C 0.237 175.755 175.510 0.013 0.000 1.175 235 N CA -0.125 52.972 53.050 0.077 0.000 0.894 235 N CB 1.008 39.542 38.487 0.078 0.000 1.041 235 N HN 0.130 nan 8.380 nan 0.000 0.506 236 I N 1.261 121.829 120.570 -0.002 0.000 2.638 236 I HA 0.073 4.244 4.170 0.001 0.000 0.286 236 I C -0.674 175.302 176.117 -0.234 0.000 1.088 236 I CA -0.603 60.540 61.300 -0.262 0.000 1.397 236 I CB 0.687 38.520 38.000 -0.278 0.000 1.414 236 I HN -0.200 nan 8.210 nan 0.000 0.566 237 L N 9.746 130.761 121.223 -0.347 0.000 2.325 237 L HA 0.292 4.632 4.340 0.001 0.000 0.284 237 L C -1.733 175.018 176.870 -0.199 0.000 1.089 237 L CA -1.111 53.613 54.840 -0.193 0.000 0.836 237 L CB 0.292 42.261 42.059 -0.151 0.000 1.184 237 L HN 0.479 nan 8.230 nan 0.000 0.444 238 P HA -0.066 nan 4.420 nan 0.000 0.217 238 P C 0.432 177.521 177.300 -0.351 0.000 1.154 238 P CA 1.220 64.112 63.100 -0.348 0.000 0.841 238 P CB 0.140 31.504 31.700 -0.561 0.000 0.788 239 H N -1.631 117.455 119.070 0.027 0.000 2.610 239 H HA 0.422 4.978 4.556 0.001 0.000 0.302 239 H C -0.251 175.086 175.328 0.014 0.000 1.063 239 H CA -0.337 55.742 56.048 0.053 0.000 1.159 239 H CB -0.141 29.682 29.762 0.102 0.000 1.427 239 H HN -0.074 nan 8.280 nan 0.000 0.553 240 V N 1.747 121.625 119.914 -0.059 0.000 2.777 240 V HA 0.377 4.498 4.120 0.001 0.000 0.306 240 V C -1.588 174.404 176.094 -0.170 0.000 1.112 240 V CA -0.832 61.312 62.300 -0.261 0.000 0.917 240 V CB 1.970 33.357 31.823 -0.727 0.000 1.018 240 V HN 0.510 nan 8.190 nan 0.000 0.426 241 K N 4.755 125.070 120.400 -0.140 0.000 2.523 241 K HA 0.907 5.228 4.320 0.001 0.000 0.257 241 K C 0.028 176.587 176.600 -0.069 0.000 0.932 241 K CA -0.069 56.168 56.287 -0.084 0.000 0.812 241 K CB 2.130 34.589 32.500 -0.068 0.000 1.326 241 K HN 1.680 nan 8.250 nan 0.000 0.433 242 G N 1.206 109.984 108.800 -0.035 0.000 2.481 242 G HA2 -0.263 3.698 3.960 0.001 0.000 0.230 242 G HA3 -0.263 3.698 3.960 0.001 0.000 0.230 242 G C -0.069 174.798 174.900 -0.056 0.000 1.210 242 G CA -0.051 45.027 45.100 -0.037 0.000 0.936 242 G HN 0.472 nan 8.290 nan 0.000 0.583 243 L N 1.605 122.787 121.223 -0.069 0.000 2.162 243 L HA 0.226 4.567 4.340 0.001 0.000 0.205 243 L C 3.016 179.844 176.870 -0.070 0.000 1.086 243 L CA 2.365 57.161 54.840 -0.073 0.000 0.778 243 L CB -0.633 41.377 42.059 -0.081 0.000 0.928 243 L HN 0.725 nan 8.230 nan 0.000 0.446 244 R N -0.103 120.352 120.500 -0.076 0.000 2.303 244 R HA -0.091 4.250 4.340 0.001 0.000 0.225 244 R C 1.664 177.960 176.300 -0.007 0.000 1.114 244 R CA 1.233 57.336 56.100 0.005 0.000 1.007 244 R CB -0.868 29.425 30.300 -0.012 0.000 0.861 244 R HN 0.390 nan 8.270 nan 0.000 0.471 245 G N 1.821 110.487 108.800 -0.223 0.000 2.616 245 G HA2 -0.169 3.792 3.960 0.001 0.000 0.215 245 G HA3 -0.169 3.792 3.960 0.001 0.000 0.215 245 G C -1.032 173.519 174.900 -0.581 0.000 1.284 245 G CA 0.506 45.341 45.100 -0.441 0.000 0.823 245 G HN 0.336 nan 8.290 nan 0.000 0.569 246 P HA -0.166 nan 4.420 nan 0.000 0.216 246 P C 1.667 178.912 177.300 -0.091 0.000 1.154 246 P CA 0.988 63.681 63.100 -0.678 0.000 0.865 246 P CB -0.163 31.216 31.700 -0.535 0.000 0.789 247 F N 0.260 120.130 119.950 -0.134 0.000 2.126 247 F HA -0.212 4.316 4.527 0.001 0.000 0.299 247 F C 1.934 177.762 175.800 0.048 0.000 1.096 247 F CA 1.868 59.859 58.000 -0.015 0.000 1.255 247 F CB -1.080 37.913 39.000 -0.013 0.000 0.997 247 F HN -0.130 nan 8.300 nan 0.000 0.479 248 T N -0.008 114.660 114.554 0.189 0.000 2.720 248 T HA -0.239 4.112 4.350 0.001 0.000 0.268 248 T C 2.107 176.819 174.700 0.021 0.000 1.037 248 T CA 1.609 63.807 62.100 0.164 0.000 1.144 248 T CB -1.061 68.094 68.868 0.480 0.000 0.864 248 T HN 0.441 nan 8.240 nan 0.000 0.444 249 C N 1.087 120.423 119.300 0.060 0.000 2.462 249 C HA 0.089 4.549 4.460 0.001 0.000 0.278 249 C C 2.716 177.605 174.990 -0.168 0.000 1.253 249 C CA 0.176 59.173 59.018 -0.036 0.000 1.713 249 C CB -1.483 26.235 27.740 -0.037 0.000 2.049 249 C HN 0.498 nan 8.230 nan 0.000 0.477 250 L N 1.388 122.497 121.223 -0.190 0.000 2.012 250 L HA -0.185 4.156 4.340 0.001 0.000 0.210 250 L C 2.454 179.204 176.870 -0.200 0.000 1.073 250 L CA 1.993 56.730 54.840 -0.171 0.000 0.748 250 L CB -0.882 41.120 42.059 -0.094 0.000 0.891 250 L HN 0.426 nan 8.230 nan 0.000 0.431 251 N N -0.527 117.947 118.700 -0.377 0.000 2.149 251 N HA -0.214 4.526 4.740 0.001 0.000 0.188 251 N C 2.030 177.472 175.510 -0.112 0.000 1.019 251 N CA 1.512 54.355 53.050 -0.345 0.000 0.857 251 N CB -0.042 38.099 38.487 -0.577 0.000 0.997 251 N HN 0.170 nan 8.380 nan 0.000 0.426 252 S N -0.889 114.781 115.700 -0.051 0.000 2.356 252 S HA -0.021 4.450 4.470 0.001 0.000 0.223 252 S C 1.939 176.661 174.600 0.203 0.000 1.032 252 S CA 1.298 59.567 58.200 0.115 0.000 1.005 252 S CB -0.618 62.654 63.200 0.119 0.000 0.867 252 S HN 0.492 nan 8.310 nan 0.000 0.449 253 A N 1.684 124.547 122.820 0.072 0.000 1.873 253 A HA -0.028 4.293 4.320 0.001 0.000 0.215 253 A C 2.195 179.798 177.584 0.030 0.000 1.186 253 A CA 1.421 53.494 52.037 0.061 0.000 0.616 253 A CB -0.705 18.268 19.000 -0.045 0.000 0.823 253 A HN 0.610 nan 8.150 nan 0.000 0.442 254 R N -1.963 118.536 120.500 -0.002 0.000 2.119 254 R HA -0.230 4.111 4.340 0.001 0.000 0.246 254 R C 2.147 178.434 176.300 -0.022 0.000 1.146 254 R CA 1.981 58.062 56.100 -0.031 0.000 0.962 254 R CB -0.666 29.592 30.300 -0.070 0.000 0.863 254 R HN 0.740 nan 8.270 nan 0.000 0.442 255 Y N 0.632 120.891 120.300 -0.067 0.000 2.165 255 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 255 Y C 2.290 178.176 175.900 -0.023 0.000 1.155 255 Y CA 1.751 59.829 58.100 -0.037 0.000 1.164 255 Y CB -0.492 37.954 38.460 -0.022 0.000 0.978 255 Y HN 0.076 nan 8.280 nan 0.000 0.513 256 G N 0.232 108.915 108.800 -0.194 0.000 2.394 256 G HA2 -0.213 3.748 3.960 0.001 0.000 0.215 256 G HA3 -0.213 3.748 3.960 0.001 0.000 0.215 256 G C 1.630 176.390 174.900 -0.235 0.000 1.165 256 G CA 1.123 45.957 45.100 -0.443 0.000 0.784 256 G HN 0.501 nan 8.290 nan 0.000 0.535 257 I N 1.523 122.012 120.570 -0.135 0.000 2.286 257 I HA -0.174 3.997 4.170 0.001 0.000 0.248 257 I C 3.239 179.285 176.117 -0.119 0.000 1.115 257 I CA 0.874 62.116 61.300 -0.097 0.000 1.392 257 I CB -0.146 37.811 38.000 -0.071 0.000 1.065 257 I HN 0.231 nan 8.210 nan 0.000 0.418 258 A N 0.091 122.806 122.820 -0.175 0.000 1.933 258 A HA -0.226 4.094 4.320 0.001 0.000 0.218 258 A C 1.998 179.412 177.584 -0.284 0.000 1.175 258 A CA 1.423 53.319 52.037 -0.235 0.000 0.628 258 A CB -0.972 17.858 19.000 -0.283 0.000 0.814 258 A HN 0.544 nan 8.150 nan 0.000 0.444 259 W N -0.349 120.730 121.300 -0.367 0.000 2.409 259 W HA 0.099 4.759 4.660 0.001 0.000 0.299 259 W C 2.566 178.962 176.519 -0.204 0.000 1.203 259 W CA 1.169 58.333 57.345 -0.303 0.000 1.298 259 W CB -0.548 28.672 29.460 -0.399 0.000 1.127 259 W HN 0.360 nan 8.180 nan 0.000 0.528 260 G N 0.118 108.942 108.800 0.041 0.000 2.433 260 G HA2 -0.257 3.704 3.960 0.001 0.000 0.216 260 G HA3 -0.257 3.704 3.960 0.001 0.000 0.216 260 G C 1.656 176.549 174.900 -0.010 0.000 1.186 260 G CA 1.535 46.644 45.100 0.015 0.000 0.779 260 G HN 0.290 nan 8.290 nan 0.000 0.543 261 A N 0.519 123.312 122.820 -0.044 0.000 1.986 261 A HA -0.012 4.308 4.320 0.001 0.000 0.220 261 A C 2.430 179.970 177.584 -0.073 0.000 1.171 261 A CA 1.472 53.476 52.037 -0.056 0.000 0.640 261 A CB -0.399 18.558 19.000 -0.072 0.000 0.811 261 A HN 0.388 nan 8.150 nan 0.000 0.451 262 L N -1.102 120.070 121.223 -0.084 0.000 2.141 262 L HA -0.087 4.254 4.340 0.001 0.000 0.209 262 L C 2.801 179.639 176.870 -0.052 0.000 1.094 262 L CA 0.873 55.659 54.840 -0.089 0.000 0.763 262 L CB -0.759 41.218 42.059 -0.138 0.000 0.908 262 L HN 0.500 nan 8.230 nan 0.000 0.437 263 G N -0.227 108.561 108.800 -0.020 0.000 2.421 263 G HA2 -0.238 3.723 3.960 0.001 0.000 0.216 263 G HA3 -0.238 3.723 3.960 0.001 0.000 0.216 263 G C 1.794 176.630 174.900 -0.107 0.000 1.171 263 G CA 0.783 45.871 45.100 -0.020 0.000 0.775 263 G HN 0.443 nan 8.290 nan 0.000 0.543 264 A N 1.288 124.028 122.820 -0.134 0.000 1.902 264 A HA 0.216 4.536 4.320 0.001 0.000 0.217 264 A C 2.841 180.215 177.584 -0.351 0.000 1.181 264 A CA 2.379 54.207 52.037 -0.347 0.000 0.623 264 A CB -0.904 18.003 19.000 -0.154 0.000 0.818 264 A HN 0.854 nan 8.150 nan 0.000 0.443 265 A N -0.271 122.445 122.820 -0.172 0.000 1.917 265 A HA -0.237 4.083 4.320 0.001 0.000 0.219 265 A C 1.950 179.502 177.584 -0.053 0.000 1.182 265 A CA 1.847 53.820 52.037 -0.107 0.000 0.633 265 A CB -0.589 18.361 19.000 -0.083 0.000 0.819 265 A HN 0.659 nan 8.150 nan 0.000 0.448 266 E N -0.374 119.782 120.200 -0.074 0.000 2.072 266 E HA -0.112 4.239 4.350 0.001 0.000 0.191 266 E C 2.362 178.758 176.600 -0.341 0.000 0.985 266 E CA 1.141 57.475 56.400 -0.111 0.000 0.801 266 E CB -0.154 29.442 29.700 -0.174 0.000 0.750 266 E HN 0.593 nan 8.360 nan 0.000 0.452 267 S N 0.452 115.983 115.700 -0.281 0.000 2.365 267 S HA -0.210 4.261 4.470 0.001 0.000 0.225 267 S C 2.198 176.753 174.600 -0.074 0.000 1.039 267 S CA 1.189 59.273 58.200 -0.193 0.000 1.033 267 S CB -0.364 62.695 63.200 -0.235 0.000 0.887 267 S HN 0.408 nan 8.310 nan 0.000 0.447 268 C N 0.058 119.299 119.300 -0.099 0.000 2.432 268 C HA -0.084 4.377 4.460 0.001 0.000 0.277 268 C C 2.267 177.352 174.990 0.158 0.000 1.249 268 C CA 0.231 59.260 59.018 0.018 0.000 1.725 268 C CB -1.531 26.200 27.740 -0.015 0.000 2.028 268 C HN 0.855 nan 8.230 nan 0.000 0.477 269 W N 1.519 122.814 121.300 -0.009 0.000 2.333 269 W HA -0.154 4.507 4.660 0.001 0.000 0.316 269 W C 2.499 179.162 176.519 0.239 0.000 1.215 269 W CA 1.898 59.304 57.345 0.102 0.000 1.278 269 W CB -1.238 28.297 29.460 0.125 0.000 1.154 269 W HN 0.532 nan 8.180 nan 0.000 0.486 270 H N -0.818 118.237 119.070 -0.024 0.000 2.321 270 H HA -0.154 4.402 4.556 0.001 0.000 0.300 270 H C 2.344 177.647 175.328 -0.042 0.000 1.087 270 H CA 1.674 57.636 56.048 -0.144 0.000 1.319 270 H CB -0.285 29.434 29.762 -0.073 0.000 1.379 270 H HN 0.135 nan 8.280 nan 0.000 0.501 271 I N 0.965 121.626 120.570 0.152 0.000 2.127 271 I HA -0.303 3.867 4.170 0.001 0.000 0.241 271 I C 2.886 179.070 176.117 0.111 0.000 1.075 271 I CA 1.044 62.409 61.300 0.109 0.000 1.334 271 I CB -0.319 37.733 38.000 0.086 0.000 1.040 271 I HN 0.275 nan 8.210 nan 0.000 0.405 272 A N 0.591 123.481 122.820 0.116 0.000 1.877 272 A HA -0.263 4.058 4.320 0.001 0.000 0.216 272 A C 2.453 180.117 177.584 0.135 0.000 1.186 272 A CA 1.920 54.032 52.037 0.125 0.000 0.620 272 A CB -0.711 18.372 19.000 0.138 0.000 0.822 272 A HN 0.376 nan 8.150 nan 0.000 0.443 273 R N -0.875 119.669 120.500 0.074 0.000 2.083 273 R HA -0.242 4.099 4.340 0.001 0.000 0.237 273 R C 2.397 178.649 176.300 -0.080 0.000 1.137 273 R CA 2.072 58.138 56.100 -0.056 0.000 0.951 273 R CB -0.305 29.814 30.300 -0.301 0.000 0.851 273 R HN 0.530 nan 8.270 nan 0.000 0.434 274 Q N -0.306 119.462 119.800 -0.053 0.000 2.084 274 Q HA -0.224 4.117 4.340 0.001 0.000 0.202 274 Q C 1.752 177.764 176.000 0.019 0.000 0.978 274 Q CA 1.967 57.749 55.803 -0.036 0.000 0.844 274 Q CB -0.612 28.126 28.738 0.000 0.000 0.898 274 Q HN 0.522 nan 8.270 nan 0.000 0.426 275 Y N 0.050 120.330 120.300 -0.034 0.000 2.128 275 Y HA -0.237 4.314 4.550 0.001 0.000 0.284 275 Y C 2.018 177.902 175.900 -0.026 0.000 1.154 275 Y CA 2.163 60.252 58.100 -0.019 0.000 1.149 275 Y CB -0.276 38.184 38.460 -0.001 0.000 0.976 275 Y HN 0.139 nan 8.280 nan 0.000 0.505 276 V N -2.673 117.291 119.914 0.083 0.000 2.871 276 V HA -0.130 3.991 4.120 0.001 0.000 0.256 276 V C 1.967 178.012 176.094 -0.080 0.000 1.082 276 V CA 1.180 63.480 62.300 0.002 0.000 1.105 276 V CB -0.741 31.122 31.823 0.068 0.000 0.713 276 V HN 0.315 nan 8.190 nan 0.000 0.473 277 L N 1.106 122.273 121.223 -0.093 0.000 2.109 277 L HA 0.069 4.410 4.340 0.001 0.000 0.207 277 L C 2.015 178.814 176.870 -0.118 0.000 1.086 277 L CA 1.738 56.512 54.840 -0.110 0.000 0.760 277 L CB -1.213 40.770 42.059 -0.127 0.000 0.910 277 L HN 0.340 nan 8.230 nan 0.000 0.437 278 D N 0.080 120.393 120.400 -0.145 0.000 2.378 278 D HA 0.003 4.644 4.640 0.001 0.000 0.227 278 D C 0.781 176.970 176.300 -0.184 0.000 1.012 278 D CA 0.305 54.212 54.000 -0.154 0.000 0.905 278 D CB 0.284 40.990 40.800 -0.157 0.000 0.895 278 D HN 0.368 nan 8.370 nan 0.000 0.532 287 A N 0.019 122.824 122.820 -0.026 0.000 2.168 287 A HA 0.337 4.657 4.320 0.001 0.000 0.215 287 A C 2.004 179.577 177.584 -0.019 0.000 1.152 287 A CA 1.456 53.478 52.037 -0.025 0.000 0.716 287 A CB -0.480 18.490 19.000 -0.051 0.000 0.794 287 A HN 0.349 nan 8.150 nan 0.000 0.465 288 A N -0.203 122.606 122.820 -0.018 0.000 2.169 288 A HA 0.069 4.390 4.320 0.001 0.000 0.212 288 A C 0.927 178.508 177.584 -0.005 0.000 1.153 288 A CA 0.339 52.369 52.037 -0.013 0.000 0.756 288 A CB -0.589 18.401 19.000 -0.016 0.000 0.813 288 A HN 0.609 nan 8.150 nan 0.000 0.471 289 N N -0.068 118.632 118.700 0.000 0.000 2.475 289 N HA 0.154 4.895 4.740 0.001 0.000 0.267 289 N C 0.812 176.327 175.510 0.009 0.000 1.169 289 N CA -0.062 52.992 53.050 0.006 0.000 0.947 289 N CB 0.523 39.018 38.487 0.013 0.000 1.061 289 N HN 0.337 nan 8.380 nan 0.000 0.466 290 Q N 2.215 122.019 119.800 0.006 0.000 2.230 290 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 290 Q C 1.237 177.242 176.000 0.010 0.000 0.963 290 Q CA 0.708 56.515 55.803 0.007 0.000 0.866 290 Q CB 0.089 28.829 28.738 0.003 0.000 0.931 290 Q HN 0.634 nan 8.270 nan 0.000 0.452 291 L N 0.547 121.777 121.223 0.011 0.000 1.994 291 L HA -0.201 4.140 4.340 0.001 0.000 0.208 291 L C 2.088 178.970 176.870 0.019 0.000 1.071 291 L CA 1.572 56.419 54.840 0.012 0.000 0.745 291 L CB -0.938 41.128 42.059 0.013 0.000 0.892 291 L HN 0.294 nan 8.230 nan 0.000 0.431 292 I N -0.518 120.068 120.570 0.025 0.000 2.151 292 I HA -0.327 3.843 4.170 0.001 0.000 0.243 292 I C 2.560 178.701 176.117 0.040 0.000 1.080 292 I CA 1.333 62.655 61.300 0.037 0.000 1.339 292 I CB -1.239 36.786 38.000 0.041 0.000 1.039 292 I HN 0.460 nan 8.210 nan 0.000 0.409 293 Q N 0.267 120.085 119.800 0.030 0.000 2.084 293 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 293 Q C 2.316 178.336 176.000 0.034 0.000 0.978 293 Q CA 1.437 57.260 55.803 0.034 0.000 0.844 293 Q CB -0.243 28.508 28.738 0.022 0.000 0.898 293 Q HN 0.456 nan 8.270 nan 0.000 0.426 294 K N 1.512 121.925 120.400 0.020 0.000 2.063 294 K HA -0.222 4.099 4.320 0.001 0.000 0.208 294 K C 1.817 178.422 176.600 0.008 0.000 1.048 294 K CA 1.520 57.813 56.287 0.011 0.000 0.928 294 K CB 0.042 32.545 32.500 0.004 0.000 0.713 294 K HN 0.025 nan 8.250 nan 0.000 0.442 295 K N 0.501 120.910 120.400 0.016 0.000 2.057 295 K HA -0.068 4.253 4.320 0.001 0.000 0.207 295 K C 2.200 178.812 176.600 0.019 0.000 1.049 295 K CA 1.365 57.660 56.287 0.013 0.000 0.931 295 K CB -0.093 32.422 32.500 0.025 0.000 0.714 295 K HN 0.140 nan 8.250 nan 0.000 0.440 296 L N 0.203 121.466 121.223 0.065 0.000 2.131 296 L HA -0.163 4.178 4.340 0.001 0.000 0.210 296 L C 2.474 179.382 176.870 0.063 0.000 1.092 296 L CA 0.997 55.916 54.840 0.131 0.000 0.759 296 L CB -0.478 41.701 42.059 0.199 0.000 0.903 296 L HN 0.223 nan 8.230 nan 0.000 0.435 297 A N -0.243 122.601 122.820 0.040 0.000 1.898 297 A HA -0.197 4.123 4.320 0.001 0.000 0.216 297 A C 1.931 179.474 177.584 -0.069 0.000 1.181 297 A CA 1.680 53.725 52.037 0.015 0.000 0.620 297 A CB -0.416 18.600 19.000 0.027 0.000 0.819 297 A HN 0.313 nan 8.150 nan 0.000 0.442 298 D N -0.193 120.162 120.400 -0.075 0.000 2.104 298 D HA -0.166 4.475 4.640 0.001 0.000 0.194 298 D C 2.030 178.213 176.300 -0.195 0.000 0.994 298 D CA 1.526 55.462 54.000 -0.106 0.000 0.830 298 D CB -0.367 40.389 40.800 -0.073 0.000 0.959 298 D HN 0.491 nan 8.370 nan 0.000 0.452 299 M N 0.297 119.740 119.600 -0.263 0.000 2.065 299 M HA -0.214 4.267 4.480 0.001 0.000 0.259 299 M C 2.392 178.204 176.300 -0.813 0.000 1.069 299 M CA 1.441 56.457 55.300 -0.474 0.000 1.110 299 M CB -0.351 31.944 32.600 -0.509 0.000 1.328 299 M HN -0.015 nan 8.290 nan 0.000 0.405 300 Q N -0.113 119.119 119.800 -0.946 0.000 2.045 300 Q HA -0.205 4.136 4.340 0.001 0.000 0.206 300 Q C 1.804 177.554 176.000 -0.417 0.000 0.991 300 Q CA 2.646 57.925 55.803 -0.874 0.000 0.851 300 Q CB -0.120 28.512 28.738 -0.178 0.000 0.911 300 Q HN 0.509 nan 8.270 nan 0.000 0.418 301 T N 1.246 115.659 114.554 -0.235 0.000 2.622 301 T HA -0.161 4.189 4.350 0.001 0.000 0.266 301 T C 1.583 176.187 174.700 -0.160 0.000 1.047 301 T CA 1.499 63.516 62.100 -0.137 0.000 1.159 301 T CB -0.288 68.527 68.868 -0.088 0.000 0.863 301 T HN 0.338 nan 8.240 nan 0.000 0.422 302 E N 0.787 120.874 120.200 -0.188 0.000 2.110 302 E HA -0.003 4.348 4.350 0.001 0.000 0.193 302 E C 2.280 178.770 176.600 -0.183 0.000 0.988 302 E CA 0.675 56.976 56.400 -0.166 0.000 0.804 302 E CB -0.418 29.190 29.700 -0.153 0.000 0.745 302 E HN 0.529 nan 8.360 nan 0.000 0.458 303 I N 0.883 121.307 120.570 -0.243 0.000 2.202 303 I HA -0.225 3.946 4.170 0.001 0.000 0.242 303 I C 2.311 178.336 176.117 -0.154 0.000 1.091 303 I CA 1.235 62.413 61.300 -0.204 0.000 1.368 303 I CB -0.413 37.451 38.000 -0.227 0.000 1.058 303 I HN 0.051 nan 8.210 nan 0.000 0.410 304 T N 1.441 115.907 114.554 -0.147 0.000 2.684 304 T HA -0.163 4.188 4.350 0.001 0.000 0.267 304 T C 1.937 176.585 174.700 -0.087 0.000 1.036 304 T CA 1.400 63.453 62.100 -0.079 0.000 1.148 304 T CB -0.318 68.525 68.868 -0.041 0.000 0.863 304 T HN 0.226 nan 8.240 nan 0.000 0.436 305 L N 0.467 121.631 121.223 -0.099 0.000 2.056 305 L HA 0.042 4.383 4.340 0.001 0.000 0.207 305 L C 3.083 179.874 176.870 -0.130 0.000 1.078 305 L CA 1.246 56.028 54.840 -0.096 0.000 0.749 305 L CB -1.089 40.919 42.059 -0.085 0.000 0.901 305 L HN 0.356 nan 8.230 nan 0.000 0.433 306 G N 0.381 109.087 108.800 -0.156 0.000 2.469 306 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 306 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 306 G C 1.624 176.352 174.900 -0.287 0.000 1.136 306 G CA 0.827 45.804 45.100 -0.205 0.000 0.759 306 G HN 0.240 nan 8.290 nan 0.000 0.562 307 L N -0.386 120.677 121.223 -0.265 0.000 2.072 307 L HA -0.058 4.283 4.340 0.001 0.000 0.205 307 L C 3.169 179.867 176.870 -0.286 0.000 1.079 307 L CA 0.769 55.401 54.840 -0.346 0.000 0.752 307 L CB -0.392 41.548 42.059 -0.199 0.000 0.906 307 L HN 0.119 nan 8.230 nan 0.000 0.436 308 Q N 0.106 119.808 119.800 -0.164 0.000 2.152 308 Q HA -0.174 4.167 4.340 0.001 0.000 0.206 308 Q C 2.243 178.172 176.000 -0.118 0.000 0.985 308 Q CA 1.841 57.582 55.803 -0.103 0.000 0.863 308 Q CB -0.734 27.964 28.738 -0.066 0.000 0.904 308 Q HN 0.589 nan 8.270 nan 0.000 0.422 309 G N 0.654 109.357 108.800 -0.163 0.000 2.414 309 G HA2 -0.161 3.800 3.960 0.001 0.000 0.215 309 G HA3 -0.161 3.800 3.960 0.001 0.000 0.215 309 G C 1.606 176.397 174.900 -0.181 0.000 1.188 309 G CA 1.523 46.533 45.100 -0.149 0.000 0.783 309 G HN 0.372 nan 8.290 nan 0.000 0.537 310 V N -0.531 119.158 119.914 -0.376 0.000 2.427 310 V HA -0.048 4.073 4.120 0.001 0.000 0.248 310 V C 2.604 178.603 176.094 -0.158 0.000 1.051 310 V CA 1.609 63.596 62.300 -0.523 0.000 1.048 310 V CB -0.739 30.253 31.823 -1.386 0.000 0.666 310 V HN 0.214 nan 8.190 nan 0.000 0.456 311 L N 1.041 122.183 121.223 -0.134 0.000 1.994 311 L HA -0.071 4.270 4.340 0.001 0.000 0.208 311 L C 2.678 179.668 176.870 0.200 0.000 1.071 311 L CA 2.591 57.581 54.840 0.251 0.000 0.745 311 L CB -0.988 41.168 42.059 0.162 0.000 0.892 311 L HN 0.405 nan 8.230 nan 0.000 0.431 312 R N -0.266 120.283 120.500 0.081 0.000 2.081 312 R HA -0.144 4.197 4.340 0.001 0.000 0.235 312 R C 2.279 178.631 176.300 0.088 0.000 1.131 312 R CA 1.914 58.054 56.100 0.067 0.000 0.960 312 R CB -1.061 29.252 30.300 0.020 0.000 0.856 312 R HN 0.554 nan 8.270 nan 0.000 0.436 313 L N -0.419 120.865 121.223 0.101 0.000 2.046 313 L HA -0.074 4.267 4.340 0.001 0.000 0.208 313 L C 1.983 178.950 176.870 0.161 0.000 1.077 313 L CA 1.988 56.902 54.840 0.123 0.000 0.747 313 L CB -0.993 41.168 42.059 0.171 0.000 0.896 313 L HN 0.532 nan 8.230 nan 0.000 0.432 314 G N -0.495 108.511 108.800 0.344 0.000 2.433 314 G HA2 -0.255 3.706 3.960 0.001 0.000 0.216 314 G HA3 -0.255 3.706 3.960 0.001 0.000 0.216 314 G C 1.594 176.609 174.900 0.191 0.000 1.186 314 G CA 0.238 45.549 45.100 0.353 0.000 0.779 314 G HN 0.245 nan 8.290 nan 0.000 0.543 315 R N -0.178 120.426 120.500 0.173 0.000 2.091 315 R HA -0.001 4.339 4.340 0.001 0.000 0.238 315 R C 2.696 179.043 176.300 0.078 0.000 1.136 315 R CA 1.305 57.474 56.100 0.116 0.000 0.959 315 R CB -0.631 29.727 30.300 0.097 0.000 0.856 315 R HN 0.418 nan 8.270 nan 0.000 0.437 316 M N 0.365 119.999 119.600 0.056 0.000 2.132 316 M HA -0.143 4.338 4.480 0.001 0.000 0.263 316 M C 2.173 178.473 176.300 -0.001 0.000 1.065 316 M CA 1.617 56.932 55.300 0.025 0.000 1.122 316 M CB -0.231 32.377 32.600 0.014 0.000 1.365 316 M HN 0.021 nan 8.290 nan 0.000 0.411 317 K N 0.167 120.536 120.400 -0.051 0.000 2.097 317 K HA -0.157 4.164 4.320 0.001 0.000 0.206 317 K C 1.269 177.901 176.600 0.053 0.000 1.049 317 K CA 1.140 57.337 56.287 -0.150 0.000 0.933 317 K CB -0.125 32.041 32.500 -0.557 0.000 0.717 317 K HN 0.307 nan 8.250 nan 0.000 0.442 318 D N 0.380 120.865 120.400 0.142 0.000 2.317 318 D HA -0.069 4.572 4.640 0.001 0.000 0.211 318 D C 0.952 177.306 176.300 0.089 0.000 0.966 318 D CA 0.918 55.016 54.000 0.163 0.000 0.876 318 D CB 0.278 41.161 40.800 0.139 0.000 0.927 318 D HN 0.275 nan 8.370 nan 0.000 0.519 319 E N -0.644 119.595 120.200 0.064 0.000 2.481 319 E HA 0.219 4.570 4.350 0.001 0.000 0.198 319 E C 1.208 177.831 176.600 0.038 0.000 1.027 319 E CA 0.198 56.625 56.400 0.045 0.000 0.900 319 E CB 0.682 30.405 29.700 0.037 0.000 0.993 319 E HN 0.177 nan 8.360 nan 0.000 0.482 320 G N 1.423 110.246 108.800 0.039 0.000 2.168 320 G HA2 -0.358 3.603 3.960 0.001 0.000 0.263 320 G HA3 -0.358 3.603 3.960 0.001 0.000 0.263 320 G C 1.113 176.024 174.900 0.018 0.000 0.977 320 G CA 0.964 46.082 45.100 0.030 0.000 0.659 320 G HN 0.406 nan 8.290 nan 0.000 0.533 321 T N -2.471 112.091 114.554 0.014 0.000 3.144 321 T HA 0.637 4.987 4.350 0.001 0.000 0.249 321 T C 0.968 175.671 174.700 0.003 0.000 1.089 321 T CA 1.131 63.238 62.100 0.011 0.000 0.989 321 T CB 0.749 69.626 68.868 0.014 0.000 0.992 321 T HN 1.581 nan 8.240 nan 0.000 0.540 322 A N 1.330 124.144 122.820 -0.010 0.000 2.252 322 A HA 0.818 5.139 4.320 0.001 0.000 0.309 322 A C 0.585 178.161 177.584 -0.013 0.000 1.285 322 A CA -0.746 51.277 52.037 -0.023 0.000 0.900 322 A CB 0.037 18.999 19.000 -0.064 0.000 1.157 322 A HN 0.651 nan 8.150 nan 0.000 0.536 323 A N 2.334 125.157 122.820 0.004 0.000 2.322 323 A HA 0.473 4.793 4.320 0.001 0.000 0.269 323 A C 1.301 178.905 177.584 0.034 0.000 1.094 323 A CA -0.216 51.834 52.037 0.023 0.000 0.807 323 A CB 0.301 19.317 19.000 0.026 0.000 1.047 323 A HN 1.128 nan 8.150 nan 0.000 0.487 324 V N 1.191 121.151 119.914 0.077 0.000 2.392 324 V HA -0.211 3.910 4.120 0.001 0.000 0.249 324 V C 2.362 178.524 176.094 0.115 0.000 1.059 324 V CA 2.613 64.991 62.300 0.129 0.000 1.051 324 V CB -0.952 31.052 31.823 0.302 0.000 0.658 324 V HN 1.008 nan 8.190 nan 0.000 0.455 325 E N -0.006 120.252 120.200 0.096 0.000 2.160 325 E HA -0.201 4.150 4.350 0.001 0.000 0.195 325 E C 1.904 178.527 176.600 0.039 0.000 0.991 325 E CA 1.302 57.749 56.400 0.078 0.000 0.810 325 E CB -0.358 29.377 29.700 0.059 0.000 0.742 325 E HN 0.638 nan 8.360 nan 0.000 0.466 326 I N 0.383 120.966 120.570 0.022 0.000 2.335 326 I HA -0.286 3.885 4.170 0.001 0.000 0.251 326 I C 1.960 178.067 176.117 -0.017 0.000 1.129 326 I CA 1.270 62.571 61.300 0.000 0.000 1.402 326 I CB -0.510 37.490 38.000 -0.000 0.000 1.069 326 I HN 0.087 nan 8.210 nan 0.000 0.424 327 T N -0.156 114.389 114.554 -0.015 0.000 2.833 327 T HA -0.139 4.212 4.350 0.001 0.000 0.269 327 T C 2.132 176.744 174.700 -0.146 0.000 1.054 327 T CA 1.579 63.654 62.100 -0.043 0.000 1.135 327 T CB -0.143 68.703 68.868 -0.037 0.000 0.869 327 T HN 0.293 nan 8.240 nan 0.000 0.466 328 S N 0.867 116.492 115.700 -0.125 0.000 2.383 328 S HA 0.048 4.519 4.470 0.001 0.000 0.227 328 S C 1.997 176.510 174.600 -0.145 0.000 1.026 328 S CA 0.681 58.758 58.200 -0.207 0.000 0.981 328 S CB -0.321 62.910 63.200 0.051 0.000 0.818 328 S HN 0.457 nan 8.310 nan 0.000 0.472 329 I N 1.135 121.660 120.570 -0.075 0.000 2.142 329 I HA -0.196 3.974 4.170 0.001 0.000 0.240 329 I C 2.282 178.340 176.117 -0.099 0.000 1.078 329 I CA 1.061 62.323 61.300 -0.063 0.000 1.343 329 I CB -0.329 37.645 38.000 -0.044 0.000 1.046 329 I HN 0.299 nan 8.210 nan 0.000 0.405 330 M N 0.141 119.670 119.600 -0.118 0.000 2.236 330 M HA -0.100 4.380 4.480 0.001 0.000 0.266 330 M C 2.207 178.401 176.300 -0.176 0.000 1.070 330 M CA 1.425 56.636 55.300 -0.149 0.000 1.137 330 M CB -1.141 31.371 32.600 -0.147 0.000 1.378 330 M HN 0.139 nan 8.290 nan 0.000 0.426 331 K N 0.592 120.873 120.400 -0.199 0.000 2.025 331 K HA -0.140 4.180 4.320 0.001 0.000 0.207 331 K C 2.196 178.704 176.600 -0.154 0.000 1.049 331 K CA 1.208 57.370 56.287 -0.209 0.000 0.933 331 K CB -0.213 32.105 32.500 -0.303 0.000 0.714 331 K HN 0.222 nan 8.250 nan 0.000 0.438 332 R N 0.754 121.164 120.500 -0.150 0.000 2.083 332 R HA -0.193 4.148 4.340 0.001 0.000 0.237 332 R C 2.071 178.340 176.300 -0.052 0.000 1.137 332 R CA 2.178 58.257 56.100 -0.036 0.000 0.951 332 R CB -0.309 30.000 30.300 0.015 0.000 0.851 332 R HN 0.207 nan 8.270 nan 0.000 0.434 333 N N -0.334 118.317 118.700 -0.080 0.000 2.106 333 N HA -0.099 4.641 4.740 0.001 0.000 0.188 333 N C 1.572 177.021 175.510 -0.101 0.000 1.029 333 N CA 1.975 54.973 53.050 -0.086 0.000 0.848 333 N CB -0.032 38.396 38.487 -0.099 0.000 1.007 333 N HN 0.071 nan 8.380 nan 0.000 0.423 334 S N -0.747 114.877 115.700 -0.127 0.000 2.356 334 S HA -0.123 4.348 4.470 0.001 0.000 0.223 334 S C 2.237 176.778 174.600 -0.099 0.000 1.032 334 S CA 1.100 59.218 58.200 -0.137 0.000 1.005 334 S CB -0.582 62.513 63.200 -0.175 0.000 0.867 334 S HN 0.532 nan 8.310 nan 0.000 0.449 335 C N 1.335 120.588 119.300 -0.078 0.000 2.432 335 C HA 0.003 4.464 4.460 0.001 0.000 0.277 335 C C 2.964 177.930 174.990 -0.041 0.000 1.249 335 C CA 0.624 59.613 59.018 -0.049 0.000 1.725 335 C CB -1.722 26.002 27.740 -0.025 0.000 2.028 335 C HN 0.734 nan 8.230 nan 0.000 0.477 336 G N 0.439 109.214 108.800 -0.041 0.000 2.421 336 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 336 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 336 G C 1.700 176.571 174.900 -0.047 0.000 1.171 336 G CA 0.668 45.746 45.100 -0.036 0.000 0.775 336 G HN 0.444 nan 8.290 nan 0.000 0.543 337 K N 0.973 121.336 120.400 -0.063 0.000 2.148 337 K HA 0.088 4.409 4.320 0.001 0.000 0.204 337 K C 2.821 179.377 176.600 -0.074 0.000 1.050 337 K CA 1.071 57.313 56.287 -0.074 0.000 0.942 337 K CB -0.592 31.851 32.500 -0.094 0.000 0.724 337 K HN 0.279 nan 8.250 nan 0.000 0.446 338 A N 1.501 124.278 122.820 -0.071 0.000 1.898 338 A HA -0.134 4.186 4.320 0.001 0.000 0.216 338 A C 2.196 179.752 177.584 -0.047 0.000 1.181 338 A CA 1.074 53.071 52.037 -0.067 0.000 0.620 338 A CB -0.532 18.429 19.000 -0.066 0.000 0.819 338 A HN 0.204 nan 8.150 nan 0.000 0.442 339 L N 0.329 121.530 121.223 -0.036 0.000 2.012 339 L HA -0.186 4.155 4.340 0.001 0.000 0.210 339 L C 1.641 178.496 176.870 -0.026 0.000 1.073 339 L CA 2.538 57.364 54.840 -0.023 0.000 0.748 339 L CB -0.812 41.236 42.059 -0.017 0.000 0.891 339 L HN 0.351 nan 8.230 nan 0.000 0.431 340 D N -0.317 120.062 120.400 -0.034 0.000 2.123 340 D HA -0.203 4.438 4.640 0.001 0.000 0.196 340 D C 2.326 178.605 176.300 -0.036 0.000 0.992 340 D CA 1.942 55.922 54.000 -0.035 0.000 0.833 340 D CB -0.140 40.634 40.800 -0.043 0.000 0.954 340 D HN 0.446 nan 8.370 nan 0.000 0.455 341 I N 0.977 121.520 120.570 -0.045 0.000 2.315 341 I HA -0.202 3.968 4.170 0.001 0.000 0.248 341 I C 2.437 178.543 176.117 -0.018 0.000 1.117 341 I CA 0.816 62.091 61.300 -0.041 0.000 1.404 341 I CB -0.095 37.868 38.000 -0.061 0.000 1.071 341 I HN -0.088 nan 8.210 nan 0.000 0.419 342 A N 0.759 123.567 122.820 -0.021 0.000 1.933 342 A HA -0.187 4.134 4.320 0.001 0.000 0.218 342 A C 2.381 179.960 177.584 -0.008 0.000 1.175 342 A CA 1.427 53.459 52.037 -0.009 0.000 0.628 342 A CB -0.484 18.515 19.000 -0.002 0.000 0.814 342 A HN 0.306 nan 8.150 nan 0.000 0.444 343 R N -1.375 119.118 120.500 -0.012 0.000 2.090 343 R HA -0.005 4.335 4.340 0.001 0.000 0.228 343 R C 1.959 178.251 176.300 -0.013 0.000 1.110 343 R CA 1.050 57.142 56.100 -0.013 0.000 0.973 343 R CB -0.408 29.884 30.300 -0.013 0.000 0.869 343 R HN 0.408 nan 8.270 nan 0.000 0.440 344 L N 0.557 121.773 121.223 -0.012 0.000 2.017 344 L HA -0.115 4.225 4.340 0.001 0.000 0.208 344 L C 2.332 179.202 176.870 -0.000 0.000 1.073 344 L CA 1.903 56.739 54.840 -0.006 0.000 0.745 344 L CB -0.704 41.350 42.059 -0.008 0.000 0.894 344 L HN 0.145 nan 8.230 nan 0.000 0.432 345 A N -0.827 121.997 122.820 0.006 0.000 1.877 345 A HA -0.254 4.067 4.320 0.001 0.000 0.216 345 A C 2.418 179.977 177.584 -0.042 0.000 1.186 345 A CA 1.771 53.811 52.037 0.006 0.000 0.620 345 A CB -0.543 18.475 19.000 0.030 0.000 0.822 345 A HN 0.375 nan 8.150 nan 0.000 0.443 346 R N 0.650 121.126 120.500 -0.040 0.000 2.083 346 R HA -0.147 4.193 4.340 0.001 0.000 0.237 346 R C 1.098 177.358 176.300 -0.067 0.000 1.137 346 R CA 2.173 58.238 56.100 -0.059 0.000 0.951 346 R CB -0.727 29.551 30.300 -0.037 0.000 0.851 346 R HN 0.464 nan 8.270 nan 0.000 0.434 347 D N -0.411 119.964 120.400 -0.041 0.000 2.350 347 D HA -0.102 4.539 4.640 0.001 0.000 0.216 347 D C 1.466 177.745 176.300 -0.035 0.000 0.968 347 D CA 1.031 55.012 54.000 -0.032 0.000 0.894 347 D CB 0.002 40.793 40.800 -0.016 0.000 0.909 347 D HN 0.404 nan 8.370 nan 0.000 0.520 348 M N -0.340 119.227 119.600 -0.054 0.000 2.501 348 M HA 0.095 4.576 4.480 0.001 0.000 0.261 348 M C 0.817 177.016 176.300 -0.168 0.000 1.129 348 M CA 0.231 55.502 55.300 -0.048 0.000 1.126 348 M CB 0.545 33.141 32.600 -0.007 0.000 1.359 348 M HN -0.132 nan 8.290 nan 0.000 0.471 349 L N -0.350 120.692 121.223 -0.301 0.000 2.475 349 L HA 0.447 4.788 4.340 0.001 0.000 0.253 349 L C 0.712 177.416 176.870 -0.278 0.000 1.198 349 L CA -0.674 53.813 54.840 -0.588 0.000 0.814 349 L CB 0.314 42.091 42.059 -0.471 0.000 1.134 349 L HN 0.095 nan 8.230 nan 0.000 0.478 360 V N 2.402 122.325 119.914 0.015 0.000 2.287 360 V HA -0.097 4.024 4.120 0.001 0.000 0.248 360 V C 3.313 179.398 176.094 -0.014 0.000 1.053 360 V CA 3.133 65.457 62.300 0.040 0.000 1.027 360 V CB -0.862 30.958 31.823 -0.005 0.000 0.646 360 V HN 0.585 nan 8.190 nan 0.000 0.447 361 A N -0.277 122.502 122.820 -0.068 0.000 1.940 361 A HA -0.281 4.040 4.320 0.001 0.000 0.219 361 A C 2.399 179.894 177.584 -0.148 0.000 1.176 361 A CA 2.189 54.176 52.037 -0.082 0.000 0.631 361 A CB -0.571 18.385 19.000 -0.074 0.000 0.814 361 A HN 0.538 nan 8.150 nan 0.000 0.446 362 R N -1.401 118.921 120.500 -0.297 0.000 2.073 362 R HA -0.143 4.198 4.340 0.001 0.000 0.229 362 R C 2.006 178.052 176.300 -0.425 0.000 1.120 362 R CA 1.704 57.439 56.100 -0.608 0.000 0.967 362 R CB -0.452 29.280 30.300 -0.946 0.000 0.862 362 R HN 0.702 nan 8.270 nan 0.000 0.436 363 H N -0.113 118.822 119.070 -0.225 0.000 2.387 363 H HA -0.154 4.403 4.556 0.001 0.000 0.299 363 H C 1.862 177.139 175.328 -0.085 0.000 1.099 363 H CA 1.572 57.541 56.048 -0.133 0.000 1.315 363 H CB 0.070 29.777 29.762 -0.092 0.000 1.380 363 H HN 0.131 nan 8.280 nan 0.000 0.513 364 L N 0.899 122.146 121.223 0.039 0.000 1.994 364 L HA -0.153 4.188 4.340 0.001 0.000 0.208 364 L C 2.440 179.322 176.870 0.020 0.000 1.071 364 L CA 1.631 56.483 54.840 0.020 0.000 0.745 364 L CB -0.862 41.198 42.059 0.002 0.000 0.892 364 L HN 0.298 nan 8.230 nan 0.000 0.431 365 V N -2.322 117.603 119.914 0.017 0.000 2.407 365 V HA -0.266 3.855 4.120 0.001 0.000 0.248 365 V C 2.140 178.283 176.094 0.081 0.000 1.055 365 V CA 2.195 64.534 62.300 0.065 0.000 1.049 365 V CB -1.511 30.394 31.823 0.137 0.000 0.662 365 V HN 0.598 nan 8.190 nan 0.000 0.455 366 N N 0.909 119.650 118.700 0.069 0.000 2.043 366 N HA -0.107 4.633 4.740 0.001 0.000 0.193 366 N C 1.868 177.409 175.510 0.051 0.000 1.037 366 N CA 1.881 54.975 53.050 0.074 0.000 0.851 366 N CB -0.381 38.131 38.487 0.041 0.000 1.027 366 N HN 0.425 nan 8.380 nan 0.000 0.422 367 L N 1.176 122.425 121.223 0.044 0.000 2.131 367 L HA -0.145 4.196 4.340 0.001 0.000 0.210 367 L C 2.106 178.988 176.870 0.020 0.000 1.092 367 L CA 1.090 55.947 54.840 0.028 0.000 0.759 367 L CB -0.308 41.763 42.059 0.020 0.000 0.903 367 L HN 0.239 nan 8.230 nan 0.000 0.435 368 E N -0.477 119.737 120.200 0.023 0.000 2.077 368 E HA -0.200 4.150 4.350 0.001 0.000 0.193 368 E C 2.264 178.872 176.600 0.013 0.000 0.989 368 E CA 1.366 57.775 56.400 0.015 0.000 0.800 368 E CB -0.051 29.659 29.700 0.017 0.000 0.746 368 E HN 0.277 nan 8.360 nan 0.000 0.452 369 V N 0.605 120.532 119.914 0.021 0.000 2.307 369 V HA -0.209 3.911 4.120 0.001 0.000 0.245 369 V C 2.292 178.413 176.094 0.045 0.000 1.045 369 V CA 1.223 63.533 62.300 0.016 0.000 1.024 369 V CB -0.270 31.564 31.823 0.019 0.000 0.651 369 V HN 0.137 nan 8.190 nan 0.000 0.449 370 V N 0.497 120.435 119.914 0.041 0.000 2.407 370 V HA -0.270 3.851 4.120 0.001 0.000 0.248 370 V C 2.144 178.272 176.094 0.058 0.000 1.055 370 V CA 2.385 64.711 62.300 0.043 0.000 1.049 370 V CB -0.987 30.843 31.823 0.013 0.000 0.662 370 V HN 0.576 nan 8.190 nan 0.000 0.455 371 N N -0.002 118.719 118.700 0.034 0.000 2.381 371 N HA -0.113 4.628 4.740 0.001 0.000 0.182 371 N C 1.589 177.112 175.510 0.022 0.000 1.025 371 N CA 1.585 54.649 53.050 0.024 0.000 0.888 371 N CB -0.037 38.453 38.487 0.005 0.000 0.965 371 N HN 0.691 nan 8.380 nan 0.000 0.438 372 T N -3.890 110.677 114.554 0.022 0.000 3.054 372 T HA 0.057 4.408 4.350 0.001 0.000 0.255 372 T C 1.385 176.077 174.700 -0.012 0.000 1.035 372 T CA -0.410 61.684 62.100 -0.011 0.000 0.941 372 T CB -0.433 68.414 68.868 -0.035 0.000 1.026 372 T HN 0.197 nan 8.240 nan 0.000 0.533 373 Y N 2.580 122.841 120.300 -0.065 0.000 2.224 373 Y HA 0.026 4.577 4.550 0.001 0.000 0.289 373 Y C 1.919 177.796 175.900 -0.037 0.000 1.146 373 Y CA 1.418 59.477 58.100 -0.067 0.000 1.182 373 Y CB -0.016 38.422 38.460 -0.038 0.000 0.983 373 Y HN 0.273 nan 8.280 nan 0.000 0.524 374 E N 0.367 120.614 120.200 0.078 0.000 2.437 374 E HA 0.285 4.636 4.350 0.001 0.000 0.189 374 E C 0.679 177.217 176.600 -0.103 0.000 1.054 374 E CA 0.417 56.821 56.400 0.006 0.000 0.874 374 E CB -0.002 29.736 29.700 0.063 0.000 1.011 374 E HN 0.561 nan 8.360 nan 0.000 0.474 375 G N 0.772 109.508 108.800 -0.108 0.000 2.384 375 G HA2 -0.200 3.761 3.960 0.001 0.000 0.668 375 G HA3 -0.200 3.761 3.960 0.001 0.000 0.668 375 G C 0.320 175.166 174.900 -0.089 0.000 1.280 375 G CA -0.228 44.833 45.100 -0.065 0.000 0.992 375 G HN 0.090 nan 8.290 nan 0.000 0.512 376 T N -3.104 111.444 114.554 -0.010 0.000 3.145 376 T HA 0.309 4.660 4.350 0.001 0.000 0.281 376 T C 1.082 175.785 174.700 0.005 0.000 1.003 376 T CA 1.060 63.148 62.100 -0.020 0.000 0.901 376 T CB -0.215 68.656 68.868 0.005 0.000 1.112 376 T HN 1.338 nan 8.240 nan 0.000 0.535 377 H N 0.041 119.086 119.070 -0.042 0.000 2.520 377 H HA 0.263 4.820 4.556 0.001 0.000 0.284 377 H C -0.159 175.145 175.328 -0.040 0.000 1.037 377 H CA -0.001 56.025 56.048 -0.037 0.000 1.168 377 H CB -0.124 29.615 29.762 -0.038 0.000 1.497 377 H HN 0.255 nan 8.280 nan 0.000 0.547 378 D N 1.269 121.477 120.400 -0.319 0.000 2.746 378 D HA -0.221 4.419 4.640 0.001 0.000 0.241 378 D C 1.178 177.306 176.300 -0.287 0.000 1.140 378 D CA 0.608 54.470 54.000 -0.230 0.000 0.707 378 D CB -1.730 39.022 40.800 -0.080 0.000 1.034 378 D HN 0.657 nan 8.370 nan 0.000 0.423 379 I N 0.708 120.937 120.570 -0.569 0.000 2.185 379 I HA -0.367 3.804 4.170 0.001 0.000 0.246 379 I C 1.895 177.843 176.117 -0.281 0.000 1.088 379 I CA 1.546 62.587 61.300 -0.432 0.000 1.347 379 I CB -0.021 37.671 38.000 -0.514 0.000 1.041 379 I HN 0.332 nan 8.210 nan 0.000 0.415 380 H N 0.477 119.520 119.070 -0.045 0.000 2.470 380 H HA 0.105 4.662 4.556 0.001 0.000 0.289 380 H C 2.279 177.604 175.328 -0.004 0.000 1.033 380 H CA 1.092 57.136 56.048 -0.008 0.000 1.331 380 H CB -0.339 29.415 29.762 -0.014 0.000 1.414 380 H HN 0.495 nan 8.280 nan 0.000 0.545 381 A N 1.498 124.358 122.820 0.067 0.000 1.902 381 A HA -0.096 4.225 4.320 0.001 0.000 0.217 381 A C 2.599 180.204 177.584 0.036 0.000 1.181 381 A CA 0.988 53.049 52.037 0.040 0.000 0.623 381 A CB -0.790 18.219 19.000 0.015 0.000 0.818 381 A HN 0.259 nan 8.150 nan 0.000 0.443 382 L N -0.750 120.490 121.223 0.029 0.000 2.093 382 L HA -0.128 4.213 4.340 0.001 0.000 0.208 382 L C 2.474 179.372 176.870 0.047 0.000 1.085 382 L CA 1.012 55.876 54.840 0.040 0.000 0.755 382 L CB -0.584 41.511 42.059 0.059 0.000 0.904 382 L HN 0.360 nan 8.230 nan 0.000 0.435 383 I N -0.007 120.600 120.570 0.062 0.000 2.163 383 I HA -0.328 3.842 4.170 0.001 0.000 0.243 383 I C 2.444 178.602 176.117 0.068 0.000 1.085 383 I CA 1.517 62.866 61.300 0.081 0.000 1.347 383 I CB -0.186 37.899 38.000 0.143 0.000 1.044 383 I HN 0.221 nan 8.210 nan 0.000 0.408 384 L N 0.068 121.332 121.223 0.068 0.000 2.109 384 L HA -0.070 4.270 4.340 0.001 0.000 0.207 384 L C 2.678 179.567 176.870 0.032 0.000 1.086 384 L CA 1.296 56.165 54.840 0.048 0.000 0.760 384 L CB -1.042 41.044 42.059 0.045 0.000 0.910 384 L HN 0.299 nan 8.230 nan 0.000 0.437 385 G N -0.194 108.624 108.800 0.030 0.000 2.440 385 G HA2 -0.301 3.660 3.960 0.001 0.000 0.218 385 G HA3 -0.301 3.660 3.960 0.001 0.000 0.218 385 G C 1.748 176.659 174.900 0.019 0.000 1.154 385 G CA 0.726 45.839 45.100 0.021 0.000 0.767 385 G HN 0.243 nan 8.290 nan 0.000 0.552 386 R N 0.449 120.962 120.500 0.022 0.000 2.075 386 R HA 0.050 4.391 4.340 0.001 0.000 0.232 386 R C 2.899 179.208 176.300 0.015 0.000 1.126 386 R CA 1.366 57.477 56.100 0.017 0.000 0.963 386 R CB -0.370 29.941 30.300 0.018 0.000 0.858 386 R HN 0.289 nan 8.270 nan 0.000 0.435 387 A N 0.603 123.436 122.820 0.020 0.000 1.933 387 A HA -0.210 4.110 4.320 0.001 0.000 0.218 387 A C 2.022 179.614 177.584 0.013 0.000 1.175 387 A CA 1.374 53.422 52.037 0.018 0.000 0.628 387 A CB -0.409 18.606 19.000 0.025 0.000 0.814 387 A HN 0.478 nan 8.150 nan 0.000 0.444 388 Q N -1.223 118.585 119.800 0.013 0.000 2.083 388 Q HA -0.111 4.229 4.340 0.001 0.000 0.198 388 Q C 2.178 178.183 176.000 0.007 0.000 0.969 388 Q CA 1.974 57.783 55.803 0.009 0.000 0.838 388 Q CB -0.083 28.661 28.738 0.009 0.000 0.900 388 Q HN 0.885 nan 8.270 nan 0.000 0.436 389 T N -5.610 108.949 114.554 0.007 0.000 2.969 389 T HA 0.288 4.639 4.350 0.001 0.000 0.250 389 T C 1.328 176.030 174.700 0.004 0.000 1.021 389 T CA 0.531 62.634 62.100 0.005 0.000 1.003 389 T CB 0.850 69.721 68.868 0.005 0.000 1.040 389 T HN 0.365 nan 8.240 nan 0.000 0.492 390 G N 1.498 110.301 108.800 0.004 0.000 2.148 390 G HA2 -0.187 3.774 3.960 0.001 0.000 0.254 390 G HA3 -0.187 3.774 3.960 0.001 0.000 0.254 390 G C -0.071 174.830 174.900 0.001 0.000 0.981 390 G CA 0.302 45.403 45.100 0.002 0.000 0.670 390 G HN 0.670 nan 8.290 nan 0.000 0.528 391 I N 0.214 120.786 120.570 0.003 0.000 2.498 391 I HA 0.369 4.540 4.170 0.001 0.000 0.290 391 I C 0.258 176.377 176.117 0.004 0.000 1.032 391 I CA -0.904 60.398 61.300 0.002 0.000 1.073 391 I CB 1.973 39.974 38.000 0.002 0.000 1.251 391 I HN 0.161 nan 8.210 nan 0.000 0.426 392 Q N 4.293 124.094 119.800 0.002 0.000 2.327 392 Q HA 0.585 4.926 4.340 0.001 0.000 0.254 392 Q C -0.163 175.839 176.000 0.004 0.000 0.952 392 Q CA -0.222 55.582 55.803 0.003 0.000 0.884 392 Q CB 1.501 30.238 28.738 -0.002 0.000 1.224 392 Q HN 0.760 nan 8.270 nan 0.000 0.422 393 A N 0.000 122.825 122.820 0.009 0.000 2.254 393 A HA 0.000 4.321 4.320 0.001 0.000 0.244 393 A CA 0.000 52.042 52.037 0.009 0.000 0.836 393 A CB 0.000 19.011 19.000 0.019 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486