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 2jcy_1_B DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV NSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LQVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 11 G C 0.000 174.854 174.900 -0.077 0.000 0.946 11 G CA 0.000 45.069 45.100 -0.052 0.000 0.502 12 R N -0.107 120.361 120.500 -0.053 0.000 2.294 12 R HA 0.626 4.966 4.340 0.001 0.000 0.319 12 R C -0.363 175.932 176.300 -0.008 0.000 0.984 12 R CA -0.553 55.512 56.100 -0.058 0.000 0.861 12 R CB 0.751 31.034 30.300 -0.028 0.000 1.104 12 R HN 0.382 nan 8.270 nan 0.000 0.451 13 L N 4.993 126.225 121.223 0.014 0.000 2.290 13 L HA 0.399 4.740 4.340 0.001 0.000 0.284 13 L C 0.325 177.290 176.870 0.158 0.000 1.078 13 L CA -0.401 54.510 54.840 0.117 0.000 0.815 13 L CB 1.181 43.372 42.059 0.221 0.000 1.162 13 L HN 0.497 nan 8.230 nan 0.000 0.435 14 R N 2.717 123.281 120.500 0.106 0.000 2.248 14 R HA 0.378 4.719 4.340 0.001 0.000 0.328 14 R C -0.961 175.390 176.300 0.085 0.000 1.067 14 R CA -0.366 55.787 56.100 0.088 0.000 0.924 14 R CB 0.920 31.253 30.300 0.056 0.000 1.013 14 R HN 0.326 nan 8.270 nan 0.000 0.454 15 V N 4.375 124.336 119.914 0.077 0.000 2.417 15 V HA 0.258 4.378 4.120 0.001 0.000 0.291 15 V C 0.053 176.155 176.094 0.013 0.000 1.024 15 V CA -0.928 61.394 62.300 0.037 0.000 0.861 15 V CB 1.883 33.708 31.823 0.003 0.000 0.985 15 V HN 0.428 nan 8.190 nan 0.000 0.436 16 V N 5.566 125.478 119.914 -0.003 0.000 2.432 16 V HA 0.315 4.435 4.120 0.001 0.000 0.275 16 V C 0.037 176.115 176.094 -0.027 0.000 1.043 16 V CA -0.383 61.908 62.300 -0.015 0.000 0.925 16 V CB 1.737 33.544 31.823 -0.026 0.000 0.985 16 V HN 0.646 nan 8.190 nan 0.000 0.466 17 V N 7.266 127.165 119.914 -0.025 0.000 2.311 17 V HA 0.388 4.508 4.120 0.001 0.000 0.275 17 V C -0.048 176.030 176.094 -0.028 0.000 1.022 17 V CA -0.371 61.909 62.300 -0.033 0.000 0.830 17 V CB 1.009 32.812 31.823 -0.034 0.000 1.012 17 V HN 0.605 nan 8.190 nan 0.000 0.452 18 L N 4.217 125.420 121.223 -0.034 0.000 2.275 18 L HA 0.718 5.059 4.340 0.001 0.000 0.288 18 L C 1.087 177.940 176.870 -0.028 0.000 1.046 18 L CA -0.252 54.570 54.840 -0.030 0.000 0.805 18 L CB 1.263 43.300 42.059 -0.036 0.000 1.193 18 L HN 0.861 nan 8.230 nan 0.000 0.426 19 G N 1.634 110.423 108.800 -0.017 0.000 2.303 19 G HA2 -0.272 3.688 3.960 0.001 0.000 0.260 19 G HA3 -0.272 3.688 3.960 0.001 0.000 0.260 19 G C 0.793 175.679 174.900 -0.024 0.000 1.106 19 G CA 0.359 45.449 45.100 -0.018 0.000 0.900 19 G HN 0.821 nan 8.290 nan 0.000 0.495 20 S N -1.193 114.500 115.700 -0.012 0.000 2.474 20 S HA -0.034 4.436 4.470 0.001 0.000 0.235 20 S C 2.116 176.702 174.600 -0.022 0.000 0.997 20 S CA 1.987 60.178 58.200 -0.015 0.000 0.949 20 S CB -0.191 63.010 63.200 0.001 0.000 0.766 20 S HN 1.614 nan 8.310 nan 0.000 0.517 21 T N -2.032 112.508 114.554 -0.022 0.000 3.069 21 T HA 0.486 4.837 4.350 0.001 0.000 0.252 21 T C 0.848 175.461 174.700 -0.146 0.000 1.053 21 T CA 0.046 62.115 62.100 -0.052 0.000 0.964 21 T CB 0.101 68.970 68.868 0.001 0.000 1.005 21 T HN 0.406 nan 8.240 nan 0.000 0.532 22 G N 0.385 109.110 108.800 -0.125 0.000 2.537 22 G HA2 0.423 4.383 3.960 0.001 0.000 0.297 22 G HA3 0.423 4.383 3.960 0.001 0.000 0.297 22 G C 0.899 175.684 174.900 -0.191 0.000 1.310 22 G CA -0.040 44.953 45.100 -0.178 0.000 1.027 22 G HN 0.130 nan 8.290 nan 0.000 0.505 23 S N -1.135 114.431 115.700 -0.223 0.000 2.353 23 S HA -0.152 4.319 4.470 0.001 0.000 0.222 23 S C 2.374 176.899 174.600 -0.125 0.000 1.035 23 S CA 1.191 59.267 58.200 -0.206 0.000 1.025 23 S CB -0.358 62.713 63.200 -0.215 0.000 0.902 23 S HN 0.376 nan 8.310 nan 0.000 0.440 24 I N 1.640 122.147 120.570 -0.104 0.000 2.179 24 I HA -0.079 4.091 4.170 0.001 0.000 0.242 24 I C 2.782 178.855 176.117 -0.074 0.000 1.088 24 I CA 1.563 62.815 61.300 -0.080 0.000 1.357 24 I CB -2.165 35.793 38.000 -0.070 0.000 1.051 24 I HN 0.460 nan 8.210 nan 0.000 0.409 25 G N 1.035 109.791 108.800 -0.073 0.000 2.440 25 G HA2 -0.291 3.669 3.960 0.001 0.000 0.218 25 G HA3 -0.291 3.669 3.960 0.001 0.000 0.218 25 G C 1.708 176.576 174.900 -0.054 0.000 1.154 25 G CA 1.794 46.857 45.100 -0.062 0.000 0.767 25 G HN 0.496 nan 8.290 nan 0.000 0.552 26 T N -1.562 112.959 114.554 -0.055 0.000 2.904 26 T HA -0.020 4.330 4.350 0.001 0.000 0.267 26 T C 2.241 176.927 174.700 -0.023 0.000 1.059 26 T CA 1.398 63.480 62.100 -0.030 0.000 1.137 26 T CB -0.254 68.602 68.868 -0.019 0.000 0.879 26 T HN 0.387 nan 8.240 nan 0.000 0.467 27 Q N 1.004 120.783 119.800 -0.036 0.000 2.079 27 Q HA 0.099 4.439 4.340 0.001 0.000 0.200 27 Q C 2.815 178.789 176.000 -0.043 0.000 0.974 27 Q CA 1.363 57.148 55.803 -0.030 0.000 0.840 27 Q CB -0.444 28.272 28.738 -0.037 0.000 0.898 27 Q HN 0.717 nan 8.270 nan 0.000 0.430 28 A N 0.910 123.692 122.820 -0.065 0.000 1.902 28 A HA -0.162 4.158 4.320 0.001 0.000 0.217 28 A C 2.038 179.566 177.584 -0.093 0.000 1.181 28 A CA 1.088 53.065 52.037 -0.099 0.000 0.623 28 A CB -0.664 18.268 19.000 -0.114 0.000 0.818 28 A HN 0.298 nan 8.150 nan 0.000 0.443 29 L N -0.872 120.318 121.223 -0.056 0.000 2.131 29 L HA -0.235 4.106 4.340 0.001 0.000 0.210 29 L C 2.853 179.718 176.870 -0.007 0.000 1.092 29 L CA 1.289 56.111 54.840 -0.029 0.000 0.759 29 L CB -0.460 41.592 42.059 -0.012 0.000 0.903 29 L HN 0.517 nan 8.230 nan 0.000 0.435 30 Q N -0.833 118.964 119.800 -0.005 0.000 2.079 30 Q HA -0.158 4.183 4.340 0.001 0.000 0.200 30 Q C 2.367 178.379 176.000 0.021 0.000 0.974 30 Q CA 1.288 57.099 55.803 0.013 0.000 0.840 30 Q CB -0.071 28.676 28.738 0.015 0.000 0.898 30 Q HN 0.348 nan 8.270 nan 0.000 0.430 31 V N 1.114 121.028 119.914 -0.000 0.000 2.295 31 V HA -0.270 3.851 4.120 0.001 0.000 0.246 31 V C 2.133 178.270 176.094 0.072 0.000 1.049 31 V CA 1.621 63.932 62.300 0.018 0.000 1.024 31 V CB -0.430 31.366 31.823 -0.045 0.000 0.648 31 V HN 0.338 nan 8.190 nan 0.000 0.447 32 I N 0.433 121.008 120.570 0.008 0.000 2.226 32 I HA -0.239 3.931 4.170 0.001 0.000 0.245 32 I C 2.625 178.826 176.117 0.140 0.000 1.100 32 I CA 1.535 62.901 61.300 0.109 0.000 1.374 32 I CB -0.563 37.445 38.000 0.013 0.000 1.057 32 I HN 0.283 nan 8.210 nan 0.000 0.413 33 A N 0.236 123.103 122.820 0.078 0.000 1.930 33 A HA -0.212 4.109 4.320 0.001 0.000 0.217 33 A C 1.847 179.474 177.584 0.072 0.000 1.175 33 A CA 1.894 53.972 52.037 0.067 0.000 0.627 33 A CB -0.484 18.543 19.000 0.045 0.000 0.815 33 A HN 0.336 nan 8.150 nan 0.000 0.443 34 D N 0.131 120.579 120.400 0.079 0.000 2.312 34 D HA -0.015 4.625 4.640 0.001 0.000 0.211 34 D C 0.020 176.373 176.300 0.089 0.000 0.964 34 D CA 0.632 54.676 54.000 0.074 0.000 0.877 34 D CB -0.080 40.761 40.800 0.069 0.000 0.924 34 D HN 0.387 nan 8.370 nan 0.000 0.515 35 N N 0.670 119.452 118.700 0.136 0.000 2.723 35 N HA 0.102 4.843 4.740 0.001 0.000 0.290 35 N C -2.157 173.413 175.510 0.100 0.000 1.882 35 N CA -0.840 52.285 53.050 0.123 0.000 0.851 35 N CB 2.071 40.675 38.487 0.195 0.000 1.234 35 N HN 0.065 nan 8.380 nan 0.000 0.491 36 P HA -0.083 nan 4.420 nan 0.000 0.229 36 P C 0.809 178.107 177.300 -0.002 0.000 1.160 36 P CA 0.943 64.074 63.100 0.051 0.000 0.777 36 P CB 0.324 32.049 31.700 0.042 0.000 0.814 37 D N -0.277 120.101 120.400 -0.037 0.000 2.178 37 D HA -0.154 4.487 4.640 0.001 0.000 0.202 37 D C 1.752 177.955 176.300 -0.161 0.000 0.974 37 D CA 0.938 54.892 54.000 -0.077 0.000 0.841 37 D CB -0.363 40.395 40.800 -0.071 0.000 0.953 37 D HN 0.086 nan 8.370 nan 0.000 0.478 38 R N -0.625 119.697 120.500 -0.296 0.000 2.175 38 R HA 0.268 4.608 4.340 0.001 0.000 0.202 38 R C 0.126 175.970 176.300 -0.760 0.000 1.018 38 R CA 0.186 55.888 56.100 -0.663 0.000 1.029 38 R CB 0.255 29.880 30.300 -1.125 0.000 0.959 38 R HN 0.237 nan 8.270 nan 0.000 0.480 39 F N 0.529 120.489 119.950 0.016 0.000 2.588 39 F HA 0.317 4.844 4.527 0.000 0.000 0.310 39 F C -0.312 175.497 175.800 0.016 0.000 1.082 39 F CA -1.270 56.741 58.000 0.018 0.000 0.929 39 F CB 1.956 40.968 39.000 0.020 0.000 1.254 39 F HN -0.144 nan 8.300 nan 0.000 0.455 40 E N 0.467 120.792 120.200 0.209 0.000 2.272 40 E HA 0.640 4.990 4.350 0.001 0.000 0.269 40 E C -1.690 174.973 176.600 0.106 0.000 0.877 40 E CA -1.123 55.355 56.400 0.130 0.000 0.755 40 E CB 2.181 31.929 29.700 0.081 0.000 1.192 40 E HN 0.333 nan 8.360 nan 0.000 0.422 41 V N 3.226 123.185 119.914 0.076 0.000 2.521 41 V HA 0.046 4.166 4.120 0.001 0.000 0.286 41 V C 1.024 177.145 176.094 0.045 0.000 1.034 41 V CA 0.118 62.446 62.300 0.048 0.000 1.045 41 V CB 0.758 32.601 31.823 0.034 0.000 0.974 41 V HN 0.776 nan 8.190 nan 0.000 0.480 42 V N 1.109 121.046 119.914 0.038 0.000 3.432 42 V HA 0.742 4.862 4.120 0.001 0.000 0.298 42 V C 0.601 176.715 176.094 0.034 0.000 1.464 42 V CA 0.580 62.902 62.300 0.037 0.000 1.046 42 V CB 0.239 32.084 31.823 0.037 0.000 0.887 42 V HN 0.999 nan 8.190 nan 0.000 0.441 43 G N 0.331 109.146 108.800 0.025 0.000 2.732 43 G HA2 0.673 4.633 3.960 0.001 0.000 0.296 43 G HA3 0.673 4.633 3.960 0.001 0.000 0.296 43 G C -1.917 172.992 174.900 0.015 0.000 1.448 43 G CA -0.705 44.407 45.100 0.021 0.000 0.911 43 G HN 0.214 nan 8.290 nan 0.000 0.528 44 L N 0.586 121.823 121.223 0.024 0.000 2.436 44 L HA 0.823 5.164 4.340 0.001 0.000 0.268 44 L C 0.011 176.896 176.870 0.025 0.000 0.974 44 L CA -0.967 53.886 54.840 0.021 0.000 0.826 44 L CB 2.382 44.460 42.059 0.030 0.000 1.291 44 L HN 0.832 nan 8.230 nan 0.000 0.406 45 A N 2.345 125.172 122.820 0.012 0.000 2.393 45 A HA 0.992 5.312 4.320 0.001 0.000 0.306 45 A C -0.966 176.631 177.584 0.023 0.000 1.050 45 A CA -0.261 51.787 52.037 0.018 0.000 0.724 45 A CB 1.914 20.910 19.000 -0.007 0.000 1.248 45 A HN 0.808 nan 8.150 nan 0.000 0.424 46 A N 0.617 123.461 122.820 0.039 0.000 2.569 46 A HA 0.755 5.076 4.320 0.001 0.000 0.290 46 A C 0.873 178.486 177.584 0.050 0.000 1.136 46 A CA -0.028 52.037 52.037 0.046 0.000 0.710 46 A CB 0.829 19.866 19.000 0.062 0.000 1.303 46 A HN 1.747 nan 8.150 nan 0.000 0.413 47 G N -0.973 107.859 108.800 0.053 0.000 2.430 47 G HA2 0.384 4.344 3.960 0.001 0.000 0.216 47 G HA3 0.384 4.344 3.960 0.001 0.000 0.216 47 G C 1.149 176.075 174.900 0.042 0.000 1.146 47 G CA 1.378 46.504 45.100 0.044 0.000 0.793 47 G HN 2.353 nan 8.290 nan 0.000 0.537 48 G N -0.836 107.990 108.800 0.044 0.000 2.428 48 G HA2 0.047 4.007 3.960 0.001 0.000 0.199 48 G HA3 0.047 4.007 3.960 0.001 0.000 0.199 48 G C 1.427 176.322 174.900 -0.009 0.000 1.005 48 G CA 0.885 46.002 45.100 0.029 0.000 0.671 48 G HN 1.065 nan 8.290 nan 0.000 0.485 49 A N -0.013 122.773 122.820 -0.057 0.000 2.014 49 A HA 0.299 4.619 4.320 0.001 0.000 0.218 49 A C 1.273 178.631 177.584 -0.376 0.000 1.163 49 A CA 1.896 53.804 52.037 -0.215 0.000 0.652 49 A CB -0.343 18.485 19.000 -0.287 0.000 0.808 49 A HN 0.696 nan 8.150 nan 0.000 0.449 50 H N -1.302 117.787 119.070 0.032 0.000 2.505 50 H HA 0.326 4.883 4.556 0.001 0.000 0.260 50 H C 0.935 176.284 175.328 0.035 0.000 1.232 50 H CA -0.397 55.674 56.048 0.039 0.000 0.991 50 H CB 0.483 30.269 29.762 0.041 0.000 1.729 50 H HN 0.299 nan 8.280 nan 0.000 0.561 51 L N 0.296 121.567 121.223 0.080 0.000 2.079 51 L HA -0.168 4.172 4.340 0.001 0.000 0.210 51 L C 1.233 178.141 176.870 0.064 0.000 1.081 51 L CA 1.902 56.778 54.840 0.060 0.000 0.752 51 L CB 0.041 42.116 42.059 0.028 0.000 0.896 51 L HN 0.337 nan 8.230 nan 0.000 0.433 52 D N -1.205 119.237 120.400 0.069 0.000 2.144 52 D HA -0.139 4.502 4.640 0.001 0.000 0.200 52 D C 2.099 178.442 176.300 0.072 0.000 0.978 52 D CA 1.693 55.730 54.000 0.062 0.000 0.833 52 D CB -0.360 40.474 40.800 0.057 0.000 0.961 52 D HN 0.367 nan 8.370 nan 0.000 0.470 53 T N 1.456 116.071 114.554 0.102 0.000 2.684 53 T HA -0.160 4.191 4.350 0.001 0.000 0.267 53 T C 1.940 176.682 174.700 0.069 0.000 1.036 53 T CA 0.690 62.844 62.100 0.090 0.000 1.148 53 T CB -0.393 68.538 68.868 0.105 0.000 0.863 53 T HN 0.048 nan 8.240 nan 0.000 0.436 54 L N 0.918 122.185 121.223 0.074 0.000 2.042 54 L HA 0.011 4.352 4.340 0.001 0.000 0.210 54 L C 2.122 179.021 176.870 0.049 0.000 1.076 54 L CA 1.617 56.493 54.840 0.059 0.000 0.749 54 L CB -0.632 41.465 42.059 0.063 0.000 0.893 54 L HN 0.265 nan 8.230 nan 0.000 0.432 55 L N -1.187 120.063 121.223 0.046 0.000 2.156 55 L HA -0.127 4.213 4.340 0.001 0.000 0.208 55 L C 2.707 179.597 176.870 0.033 0.000 1.095 55 L CA 0.875 55.737 54.840 0.036 0.000 0.770 55 L CB -0.505 41.572 42.059 0.029 0.000 0.914 55 L HN 0.239 nan 8.230 nan 0.000 0.439 56 R N -0.180 120.342 120.500 0.037 0.000 2.092 56 R HA -0.141 4.199 4.340 0.001 0.000 0.231 56 R C 2.299 178.619 176.300 0.032 0.000 1.119 56 R CA 1.119 57.239 56.100 0.033 0.000 0.970 56 R CB -0.171 30.151 30.300 0.036 0.000 0.864 56 R HN 0.471 nan 8.270 nan 0.000 0.440 57 Q N -0.013 119.808 119.800 0.036 0.000 2.084 57 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 57 Q C 2.154 178.173 176.000 0.032 0.000 0.978 57 Q CA 1.351 57.174 55.803 0.033 0.000 0.844 57 Q CB -0.120 28.638 28.738 0.033 0.000 0.898 57 Q HN 0.235 nan 8.270 nan 0.000 0.426 58 R N 0.571 121.091 120.500 0.034 0.000 2.083 58 R HA -0.177 4.164 4.340 0.001 0.000 0.237 58 R C 2.149 178.466 176.300 0.028 0.000 1.137 58 R CA 1.450 57.570 56.100 0.033 0.000 0.951 58 R CB -0.312 30.009 30.300 0.034 0.000 0.851 58 R HN 0.238 nan 8.270 nan 0.000 0.434 59 A N 0.455 123.290 122.820 0.026 0.000 1.933 59 A HA -0.205 4.115 4.320 0.001 0.000 0.218 59 A C 2.054 179.651 177.584 0.022 0.000 1.175 59 A CA 1.581 53.631 52.037 0.022 0.000 0.628 59 A CB -0.397 18.615 19.000 0.020 0.000 0.814 59 A HN 0.546 nan 8.150 nan 0.000 0.444 60 Q N -1.043 118.771 119.800 0.024 0.000 2.096 60 Q HA -0.075 4.265 4.340 0.001 0.000 0.197 60 Q C 2.268 178.283 176.000 0.025 0.000 0.964 60 Q CA 1.800 57.617 55.803 0.023 0.000 0.838 60 Q CB -0.193 28.560 28.738 0.025 0.000 0.906 60 Q HN 0.852 nan 8.270 nan 0.000 0.444 61 T N -3.811 110.759 114.554 0.027 0.000 3.054 61 T HA 0.195 4.546 4.350 0.001 0.000 0.259 61 T C 1.511 176.228 174.700 0.029 0.000 1.092 61 T CA 0.595 62.712 62.100 0.029 0.000 1.121 61 T CB 0.307 69.194 68.868 0.031 0.000 0.912 61 T HN 0.428 nan 8.240 nan 0.000 0.489 62 G N 0.866 109.682 108.800 0.027 0.000 2.162 62 G HA2 -0.226 3.734 3.960 0.001 0.000 0.260 62 G HA3 -0.226 3.734 3.960 0.001 0.000 0.260 62 G C 0.074 174.992 174.900 0.030 0.000 0.976 62 G CA 0.026 45.142 45.100 0.027 0.000 0.655 62 G HN 0.730 nan 8.290 nan 0.000 0.533 63 V N 2.057 121.991 119.914 0.034 0.000 2.405 63 V HA 0.415 4.535 4.120 0.001 0.000 0.264 63 V C 1.724 177.844 176.094 0.043 0.000 1.048 63 V CA 0.919 63.243 62.300 0.039 0.000 0.966 63 V CB 0.912 32.759 31.823 0.040 0.000 1.015 63 V HN 0.647 nan 8.190 nan 0.000 0.477 64 T N 0.681 115.262 114.554 0.045 0.000 3.065 64 T HA 0.023 4.373 4.350 0.001 0.000 0.252 64 T C 0.939 175.680 174.700 0.068 0.000 1.099 64 T CA 0.050 62.178 62.100 0.047 0.000 1.063 64 T CB -0.259 68.630 68.868 0.035 0.000 0.948 64 T HN 0.432 nan 8.240 nan 0.000 0.506 65 N N 2.562 121.312 118.700 0.083 0.000 2.739 65 N HA 0.296 5.037 4.740 0.001 0.000 0.266 65 N C -0.443 175.152 175.510 0.141 0.000 1.168 65 N CA -0.731 52.400 53.050 0.134 0.000 1.055 65 N CB -0.661 37.899 38.487 0.122 0.000 1.393 65 N HN 0.738 nan 8.380 nan 0.000 0.514 66 I N -1.247 119.422 120.570 0.165 0.000 2.785 66 I HA 0.908 5.079 4.170 0.001 0.000 0.302 66 I C -0.826 175.417 176.117 0.210 0.000 1.069 66 I CA -1.397 59.989 61.300 0.142 0.000 1.045 66 I CB 2.302 40.358 38.000 0.094 0.000 1.236 66 I HN 0.175 nan 8.210 nan 0.000 0.429 67 A N 4.414 127.324 122.820 0.151 0.000 2.386 67 A HA 0.828 5.148 4.320 0.001 0.000 0.311 67 A C -1.111 176.543 177.584 0.116 0.000 1.068 67 A CA -0.642 51.493 52.037 0.164 0.000 0.743 67 A CB 1.863 20.917 19.000 0.091 0.000 1.258 67 A HN 0.591 nan 8.150 nan 0.000 0.429 68 V N 2.204 122.200 119.914 0.137 0.000 2.407 68 V HA 0.483 4.603 4.120 0.001 0.000 0.291 68 V C 1.105 177.265 176.094 0.111 0.000 1.018 68 V CA 0.177 62.542 62.300 0.108 0.000 0.842 68 V CB 1.085 32.969 31.823 0.102 0.000 0.996 68 V HN 1.235 nan 8.190 nan 0.000 0.426 69 A N 2.687 125.554 122.820 0.077 0.000 2.015 69 A HA -0.052 4.268 4.320 0.001 0.000 0.219 69 A C 1.089 178.717 177.584 0.075 0.000 1.163 69 A CA 1.022 53.099 52.037 0.067 0.000 0.646 69 A CB -0.085 18.941 19.000 0.042 0.000 0.806 69 A HN 0.780 nan 8.150 nan 0.000 0.448 70 D N 0.040 120.486 120.400 0.076 0.000 2.428 70 D HA 0.123 4.763 4.640 0.001 0.000 0.221 70 D C 0.468 176.827 176.300 0.097 0.000 1.123 70 D CA -0.173 53.875 54.000 0.080 0.000 0.869 70 D CB 0.570 41.411 40.800 0.068 0.000 1.032 70 D HN 0.232 nan 8.370 nan 0.000 0.506 71 E N 1.976 122.245 120.200 0.115 0.000 2.118 71 E HA -0.228 4.122 4.350 0.001 0.000 0.195 71 E C 1.515 178.163 176.600 0.080 0.000 0.992 71 E CA 0.865 57.336 56.400 0.118 0.000 0.804 71 E CB -0.035 29.746 29.700 0.134 0.000 0.741 71 E HN 0.674 nan 8.360 nan 0.000 0.458 72 H N -0.212 118.865 119.070 0.012 0.000 2.353 72 H HA -0.048 4.508 4.556 0.001 0.000 0.300 72 H C 1.832 177.153 175.328 -0.012 0.000 1.090 72 H CA 1.488 57.534 56.048 -0.003 0.000 1.327 72 H CB 0.269 30.030 29.762 -0.001 0.000 1.383 72 H HN 0.140 nan 8.280 nan 0.000 0.508 73 A N 0.820 123.666 122.820 0.043 0.000 1.969 73 A HA -0.007 4.314 4.320 0.001 0.000 0.218 73 A C 2.575 180.129 177.584 -0.050 0.000 1.169 73 A CA 1.261 53.291 52.037 -0.012 0.000 0.635 73 A CB -0.722 18.295 19.000 0.029 0.000 0.810 73 A HN 0.522 nan 8.150 nan 0.000 0.445 74 A N -1.017 121.778 122.820 -0.042 0.000 2.067 74 A HA -0.095 4.225 4.320 0.001 0.000 0.219 74 A C 1.888 179.375 177.584 -0.162 0.000 1.158 74 A CA 1.263 53.246 52.037 -0.090 0.000 0.661 74 A CB -0.351 18.597 19.000 -0.087 0.000 0.801 74 A HN 0.457 nan 8.150 nan 0.000 0.452 75 Q N 0.166 119.868 119.800 -0.165 0.000 2.297 75 Q HA -0.151 4.189 4.340 0.001 0.000 0.208 75 Q C 1.711 177.627 176.000 -0.140 0.000 0.981 75 Q CA 1.204 56.904 55.803 -0.172 0.000 0.876 75 Q CB -0.380 28.228 28.738 -0.218 0.000 0.921 75 Q HN 0.726 nan 8.270 nan 0.000 0.446 76 R N -0.490 119.937 120.500 -0.121 0.000 2.275 76 R HA 0.056 4.396 4.340 0.001 0.000 0.199 76 R C 1.683 177.944 176.300 -0.066 0.000 0.989 76 R CA 0.471 56.520 56.100 -0.086 0.000 1.016 76 R CB 0.466 30.725 30.300 -0.068 0.000 0.918 76 R HN 0.058 nan 8.270 nan 0.000 0.473 77 V N -1.870 117.999 119.914 -0.075 0.000 3.090 77 V HA 0.246 4.367 4.120 0.001 0.000 0.237 77 V C 1.530 177.589 176.094 -0.058 0.000 1.209 77 V CA 0.874 63.142 62.300 -0.054 0.000 1.209 77 V CB 0.503 32.304 31.823 -0.036 0.000 0.971 77 V HN 0.452 nan 8.190 nan 0.000 0.477 78 G N 1.997 110.743 108.800 -0.089 0.000 2.245 78 G HA2 -0.296 3.665 3.960 0.001 0.000 0.264 78 G HA3 -0.296 3.665 3.960 0.001 0.000 0.264 78 G C 0.329 175.197 174.900 -0.053 0.000 0.985 78 G CA 0.766 45.819 45.100 -0.079 0.000 0.625 78 G HN 0.734 nan 8.290 nan 0.000 0.536 79 D N -0.053 120.326 120.400 -0.035 0.000 2.720 79 D HA 0.286 4.926 4.640 0.001 0.000 0.285 79 D C 0.462 176.767 176.300 0.007 0.000 1.359 79 D CA -0.615 53.377 54.000 -0.013 0.000 0.818 79 D CB -0.329 40.466 40.800 -0.009 0.000 1.108 79 D HN 0.311 nan 8.370 nan 0.000 0.474 80 I N 2.137 122.723 120.570 0.027 0.000 2.337 80 I HA 0.160 4.330 4.170 0.001 0.000 0.291 80 I C -1.141 175.035 176.117 0.098 0.000 1.046 80 I CA -1.763 59.587 61.300 0.083 0.000 1.324 80 I CB 1.113 39.189 38.000 0.127 0.000 1.409 80 I HN -0.189 nan 8.210 nan 0.000 0.494 81 P HA -0.127 nan 4.420 nan 0.000 0.217 81 P C -0.326 176.640 177.300 -0.557 0.000 1.150 81 P CA 1.487 64.397 63.100 -0.317 0.000 0.832 81 P CB 0.126 31.571 31.700 -0.426 0.000 0.787 82 Y N -0.085 120.232 120.300 0.028 0.000 2.326 82 Y HA 0.456 5.006 4.550 0.001 0.000 0.331 82 Y C 0.560 176.464 175.900 0.007 0.000 0.962 82 Y CA -1.031 57.036 58.100 -0.056 0.000 1.167 82 Y CB 1.114 39.555 38.460 -0.032 0.000 1.148 82 Y HN 0.092 nan 8.280 nan 0.000 0.463 83 H N 0.178 119.321 119.070 0.122 0.000 2.961 83 H HA 0.886 5.442 4.556 0.001 0.000 0.371 83 H C 0.079 175.447 175.328 0.067 0.000 1.190 83 H CA -1.269 54.826 56.048 0.078 0.000 1.138 83 H CB 1.829 31.616 29.762 0.041 0.000 1.816 83 H HN 0.917 nan 8.280 nan 0.000 0.551 84 G N -0.147 108.760 108.800 0.179 0.000 2.549 84 G HA2 -0.053 3.908 3.960 0.001 0.000 0.404 84 G HA3 -0.053 3.908 3.960 0.001 0.000 0.404 84 G C -0.574 174.367 174.900 0.068 0.000 1.292 84 G CA -0.514 44.656 45.100 0.116 0.000 0.935 84 G HN 0.873 nan 8.290 nan 0.000 0.512 85 S N 0.494 116.223 115.700 0.050 0.000 2.533 85 S HA 0.425 4.895 4.470 0.001 0.000 0.282 85 S C 0.957 175.569 174.600 0.020 0.000 1.304 85 S CA 1.292 59.511 58.200 0.031 0.000 1.063 85 S CB 0.011 63.226 63.200 0.025 0.000 0.881 85 S HN 1.058 nan 8.310 nan 0.000 0.493 86 D N 1.731 122.139 120.400 0.012 0.000 3.041 86 D HA -0.201 4.440 4.640 0.001 0.000 0.220 86 D C 0.937 177.235 176.300 -0.003 0.000 1.157 86 D CA 0.875 54.875 54.000 -0.001 0.000 0.876 86 D CB -1.331 39.466 40.800 -0.004 0.000 1.107 86 D HN 0.593 nan 8.370 nan 0.000 0.422 87 A N 0.486 123.316 122.820 0.017 0.000 1.902 87 A HA 0.074 4.395 4.320 0.001 0.000 0.217 87 A C 2.511 180.070 177.584 -0.043 0.000 1.181 87 A CA 2.525 54.584 52.037 0.036 0.000 0.623 87 A CB -0.398 18.657 19.000 0.091 0.000 0.818 87 A HN 0.462 nan 8.150 nan 0.000 0.443 88 A N -1.062 121.734 122.820 -0.040 0.000 1.902 88 A HA -0.075 4.246 4.320 0.001 0.000 0.217 88 A C 2.300 179.815 177.584 -0.115 0.000 1.181 88 A CA 2.271 54.262 52.037 -0.076 0.000 0.623 88 A CB -1.246 17.730 19.000 -0.041 0.000 0.818 88 A HN 0.429 nan 8.150 nan 0.000 0.443 89 T N -0.352 114.151 114.554 -0.085 0.000 2.708 89 T HA -0.142 4.208 4.350 0.001 0.000 0.266 89 T C 2.072 176.696 174.700 -0.126 0.000 1.037 89 T CA 1.597 63.645 62.100 -0.085 0.000 1.146 89 T CB -0.230 68.608 68.868 -0.051 0.000 0.865 89 T HN 0.506 nan 8.240 nan 0.000 0.435 90 R N 0.310 120.723 120.500 -0.145 0.000 2.096 90 R HA 0.071 4.411 4.340 0.001 0.000 0.235 90 R C 2.498 178.503 176.300 -0.491 0.000 1.127 90 R CA 0.887 56.873 56.100 -0.191 0.000 0.968 90 R CB -0.533 29.744 30.300 -0.039 0.000 0.861 90 R HN 0.330 nan 8.270 nan 0.000 0.440 91 L N 0.664 121.452 121.223 -0.725 0.000 2.017 91 L HA -0.184 4.156 4.340 0.001 0.000 0.208 91 L C 2.114 178.755 176.870 -0.382 0.000 1.073 91 L CA 1.269 55.593 54.840 -0.861 0.000 0.745 91 L CB -0.182 41.516 42.059 -0.602 0.000 0.894 91 L HN -0.030 nan 8.230 nan 0.000 0.432 92 V N 0.160 119.930 119.914 -0.239 0.000 2.287 92 V HA -0.332 3.789 4.120 0.001 0.000 0.248 92 V C 2.404 178.431 176.094 -0.111 0.000 1.053 92 V CA 2.282 64.500 62.300 -0.137 0.000 1.027 92 V CB -0.627 31.137 31.823 -0.098 0.000 0.646 92 V HN 0.516 nan 8.190 nan 0.000 0.447 93 E N -0.563 119.567 120.200 -0.117 0.000 2.153 93 E HA -0.241 4.109 4.350 0.001 0.000 0.194 93 E C 2.056 178.625 176.600 -0.052 0.000 0.988 93 E CA 1.184 57.542 56.400 -0.071 0.000 0.811 93 E CB -0.050 29.615 29.700 -0.057 0.000 0.746 93 E HN 0.660 nan 8.360 nan 0.000 0.466 94 Q N -0.481 119.273 119.800 -0.077 0.000 2.247 94 Q HA 0.104 4.445 4.340 0.001 0.000 0.211 94 Q C -0.506 175.498 176.000 0.005 0.000 0.861 94 Q CA 0.121 55.919 55.803 -0.008 0.000 0.949 94 Q CB 1.457 30.239 28.738 0.073 0.000 1.115 94 Q HN -0.015 nan 8.270 nan 0.000 0.507 95 T N 1.079 115.613 114.554 -0.032 0.000 2.779 95 T HA 0.236 4.586 4.350 0.001 0.000 0.280 95 T C -0.484 174.214 174.700 -0.003 0.000 0.987 95 T CA -0.550 61.545 62.100 -0.008 0.000 0.966 95 T CB 1.622 70.474 68.868 -0.027 0.000 0.933 95 T HN 0.036 nan 8.240 nan 0.000 0.442 96 E N 1.784 121.991 120.200 0.012 0.000 2.299 96 E HA 0.494 4.845 4.350 0.001 0.000 0.272 96 E C -0.295 176.314 176.600 0.016 0.000 1.043 96 E CA -0.303 56.105 56.400 0.013 0.000 0.895 96 E CB 0.701 30.412 29.700 0.018 0.000 1.011 96 E HN 0.729 nan 8.360 nan 0.000 0.432 97 A N 3.348 126.176 122.820 0.014 0.000 2.593 97 A HA 0.329 4.649 4.320 0.001 0.000 0.290 97 A C -0.390 177.210 177.584 0.026 0.000 1.126 97 A CA -0.713 51.337 52.037 0.021 0.000 0.695 97 A CB 1.411 20.419 19.000 0.013 0.000 1.290 97 A HN 0.563 nan 8.150 nan 0.000 0.414 98 D N -0.779 119.646 120.400 0.041 0.000 2.379 98 D HA 0.226 4.867 4.640 0.001 0.000 0.218 98 D C -0.011 176.320 176.300 0.051 0.000 1.006 98 D CA 1.233 55.263 54.000 0.049 0.000 0.893 98 D CB 0.825 41.665 40.800 0.067 0.000 1.019 98 D HN 0.232 nan 8.370 nan 0.000 0.503 99 V N 1.625 121.569 119.914 0.050 0.000 2.638 99 V HA 0.316 4.436 4.120 0.001 0.000 0.306 99 V C -0.248 175.851 176.094 0.007 0.000 1.052 99 V CA -0.881 61.441 62.300 0.036 0.000 0.885 99 V CB 2.829 34.686 31.823 0.057 0.000 0.999 99 V HN -0.250 nan 8.190 nan 0.000 0.424 100 V N 5.425 125.333 119.914 -0.010 0.000 2.328 100 V HA 0.386 4.507 4.120 0.001 0.000 0.278 100 V C -0.250 175.822 176.094 -0.037 0.000 1.021 100 V CA -0.466 61.818 62.300 -0.027 0.000 0.838 100 V CB 1.440 33.243 31.823 -0.033 0.000 0.999 100 V HN 0.694 nan 8.190 nan 0.000 0.447 101 L N 5.373 126.569 121.223 -0.045 0.000 2.295 101 L HA 0.470 4.810 4.340 0.001 0.000 0.288 101 L C 0.227 177.067 176.870 -0.051 0.000 1.079 101 L CA 0.357 55.165 54.840 -0.054 0.000 0.830 101 L CB 0.526 42.544 42.059 -0.069 0.000 1.200 101 L HN 0.609 nan 8.230 nan 0.000 0.438 102 N N 4.395 123.064 118.700 -0.051 0.000 2.521 102 N HA 0.381 5.122 4.740 0.001 0.000 0.236 102 N C -0.049 175.434 175.510 -0.046 0.000 1.067 102 N CA 0.277 53.299 53.050 -0.047 0.000 0.939 102 N CB 1.262 39.721 38.487 -0.048 0.000 1.201 102 N HN 0.692 nan 8.380 nan 0.000 0.511 103 A N 4.418 127.212 122.820 -0.044 0.000 2.594 103 A HA 0.299 4.620 4.320 0.001 0.000 0.287 103 A C 0.442 178.003 177.584 -0.037 0.000 1.227 103 A CA -0.388 51.623 52.037 -0.044 0.000 0.952 103 A CB -0.176 18.793 19.000 -0.051 0.000 1.161 103 A HN 0.574 nan 8.150 nan 0.000 0.524 104 L N -0.181 121.023 121.223 -0.031 0.000 2.452 104 L HA 0.278 4.619 4.340 0.001 0.000 0.267 104 L C 0.442 177.299 176.870 -0.022 0.000 1.188 104 L CA -0.204 54.623 54.840 -0.023 0.000 0.821 104 L CB 1.193 43.240 42.059 -0.020 0.000 1.102 104 L HN 0.116 nan 8.230 nan 0.000 0.470 105 V N 2.565 122.470 119.914 -0.016 0.000 2.472 105 V HA 0.806 4.926 4.120 0.001 0.000 0.290 105 V C 0.554 176.641 176.094 -0.012 0.000 1.037 105 V CA 0.571 62.862 62.300 -0.015 0.000 0.908 105 V CB 0.594 32.409 31.823 -0.014 0.000 0.985 105 V HN 1.004 nan 8.190 nan 0.000 0.454 106 G N 5.274 114.066 108.800 -0.013 0.000 2.562 106 G HA2 -0.077 3.884 3.960 0.001 0.000 0.250 106 G HA3 -0.077 3.884 3.960 0.001 0.000 0.250 106 G C 0.985 175.876 174.900 -0.014 0.000 1.269 106 G CA 0.259 45.352 45.100 -0.012 0.000 0.919 106 G HN 2.092 nan 8.290 nan 0.000 0.574 107 A N -0.735 122.076 122.820 -0.015 0.000 2.019 107 A HA 0.194 4.514 4.320 0.001 0.000 0.219 107 A C 2.524 180.099 177.584 -0.015 0.000 1.164 107 A CA 2.863 54.890 52.037 -0.017 0.000 0.644 107 A CB -0.589 18.400 19.000 -0.018 0.000 0.805 107 A HN 1.784 nan 8.150 nan 0.000 0.449 108 L N -2.439 118.776 121.223 -0.013 0.000 2.622 108 L HA 0.298 4.638 4.340 0.001 0.000 0.233 108 L C 1.834 178.694 176.870 -0.016 0.000 1.156 108 L CA 1.221 56.054 54.840 -0.011 0.000 0.866 108 L CB -1.000 41.056 42.059 -0.005 0.000 0.980 108 L HN 0.085 nan 8.230 nan 0.000 0.448 109 G N 0.004 108.793 108.800 -0.019 0.000 2.551 109 G HA2 -0.082 3.878 3.960 0.001 0.000 0.216 109 G HA3 -0.082 3.878 3.960 0.001 0.000 0.216 109 G C 1.376 176.259 174.900 -0.028 0.000 1.137 109 G CA 0.500 45.585 45.100 -0.025 0.000 0.798 109 G HN 0.325 nan 8.290 nan 0.000 0.536 110 L N 0.738 121.945 121.223 -0.025 0.000 2.005 110 L HA 0.106 4.446 4.340 0.001 0.000 0.207 110 L C 2.832 179.686 176.870 -0.027 0.000 1.072 110 L CA 1.658 56.482 54.840 -0.027 0.000 0.744 110 L CB -0.474 41.572 42.059 -0.023 0.000 0.895 110 L HN 0.080 nan 8.230 nan 0.000 0.433 111 R N -0.362 120.124 120.500 -0.024 0.000 2.073 111 R HA -0.120 4.221 4.340 0.001 0.000 0.234 111 R C -0.104 176.177 176.300 -0.032 0.000 1.134 111 R CA 1.831 57.916 56.100 -0.025 0.000 0.952 111 R CB -1.789 28.498 30.300 -0.020 0.000 0.850 111 R HN 0.404 nan 8.270 nan 0.000 0.433 112 P HA -0.102 nan 4.420 nan 0.000 0.218 112 P C 1.075 178.349 177.300 -0.044 0.000 1.148 112 P CA 1.413 64.487 63.100 -0.043 0.000 0.822 112 P CB -0.034 31.640 31.700 -0.044 0.000 0.784 113 T N -0.286 114.243 114.554 -0.042 0.000 2.652 113 T HA -0.123 4.227 4.350 0.001 0.000 0.267 113 T C 1.721 176.395 174.700 -0.043 0.000 1.039 113 T CA 1.160 63.233 62.100 -0.045 0.000 1.153 113 T CB -0.952 67.887 68.868 -0.048 0.000 0.863 113 T HN 0.054 nan 8.240 nan 0.000 0.428 114 L N 0.615 121.816 121.223 -0.037 0.000 2.042 114 L HA -0.137 4.203 4.340 0.001 0.000 0.210 114 L C 3.005 179.856 176.870 -0.032 0.000 1.076 114 L CA 1.378 56.198 54.840 -0.033 0.000 0.749 114 L CB -0.644 41.399 42.059 -0.027 0.000 0.893 114 L HN 0.253 nan 8.230 nan 0.000 0.432 115 A N -0.222 122.578 122.820 -0.035 0.000 1.930 115 A HA -0.106 4.215 4.320 0.001 0.000 0.217 115 A C 2.520 180.082 177.584 -0.037 0.000 1.175 115 A CA 1.543 53.558 52.037 -0.036 0.000 0.627 115 A CB -0.605 18.369 19.000 -0.043 0.000 0.815 115 A HN 0.401 nan 8.150 nan 0.000 0.443 116 A N -0.024 122.771 122.820 -0.041 0.000 1.877 116 A HA -0.040 4.280 4.320 0.001 0.000 0.216 116 A C 2.145 179.709 177.584 -0.033 0.000 1.186 116 A CA 1.474 53.488 52.037 -0.038 0.000 0.620 116 A CB -0.656 18.319 19.000 -0.042 0.000 0.822 116 A HN 0.467 nan 8.150 nan 0.000 0.443 117 L N -0.623 120.579 121.223 -0.035 0.000 2.079 117 L HA -0.210 4.131 4.340 0.001 0.000 0.210 117 L C 2.627 179.482 176.870 -0.026 0.000 1.081 117 L CA 1.885 56.706 54.840 -0.033 0.000 0.752 117 L CB -0.445 41.590 42.059 -0.038 0.000 0.896 117 L HN 0.416 nan 8.230 nan 0.000 0.433 118 K N 0.023 120.408 120.400 -0.025 0.000 2.147 118 K HA -0.177 4.143 4.320 0.001 0.000 0.205 118 K C 2.104 178.695 176.600 -0.016 0.000 1.049 118 K CA 1.815 58.091 56.287 -0.019 0.000 0.936 118 K CB -0.053 32.436 32.500 -0.019 0.000 0.722 118 K HN 0.466 nan 8.250 nan 0.000 0.446 119 T N -3.156 111.387 114.554 -0.018 0.000 2.962 119 T HA 0.011 4.362 4.350 0.001 0.000 0.270 119 T C 1.430 176.125 174.700 -0.008 0.000 1.088 119 T CA 1.126 63.218 62.100 -0.014 0.000 1.127 119 T CB -0.195 68.663 68.868 -0.017 0.000 0.883 119 T HN 0.400 nan 8.240 nan 0.000 0.493 120 G N 1.128 109.923 108.800 -0.009 0.000 2.176 120 G HA2 -0.032 3.928 3.960 0.001 0.000 0.253 120 G HA3 -0.032 3.928 3.960 0.001 0.000 0.253 120 G C 0.328 175.229 174.900 0.001 0.000 0.979 120 G CA 0.022 45.120 45.100 -0.004 0.000 0.641 120 G HN 1.190 nan 8.290 nan 0.000 0.530 121 A N -0.300 122.520 122.820 -0.001 0.000 2.386 121 A HA 0.709 5.030 4.320 0.001 0.000 0.246 121 A C 0.801 178.387 177.584 0.004 0.000 1.089 121 A CA 0.586 52.627 52.037 0.006 0.000 0.790 121 A CB 0.224 19.225 19.000 0.001 0.000 1.042 121 A HN 0.760 nan 8.150 nan 0.000 0.497 122 R N -0.615 119.896 120.500 0.019 0.000 2.537 122 R HA 0.315 4.656 4.340 0.001 0.000 0.280 122 R C -0.756 175.540 176.300 -0.008 0.000 1.058 122 R CA -0.049 56.060 56.100 0.016 0.000 1.057 122 R CB 0.179 30.511 30.300 0.053 0.000 0.973 122 R HN 0.542 nan 8.270 nan 0.000 0.438 123 L N 4.326 125.529 121.223 -0.034 0.000 2.301 123 L HA 0.476 4.817 4.340 0.001 0.000 0.278 123 L C -0.822 176.006 176.870 -0.070 0.000 1.022 123 L CA -0.141 54.668 54.840 -0.051 0.000 0.854 123 L CB 1.242 43.263 42.059 -0.062 0.000 1.226 123 L HN 0.748 nan 8.230 nan 0.000 0.429 124 A N 5.369 128.155 122.820 -0.057 0.000 2.376 124 A HA 0.456 4.776 4.320 0.001 0.000 0.298 124 A C -0.617 176.923 177.584 -0.073 0.000 1.271 124 A CA -0.302 51.694 52.037 -0.068 0.000 0.926 124 A CB -0.241 18.729 19.000 -0.050 0.000 1.141 124 A HN 0.674 nan 8.150 nan 0.000 0.539 125 L N 3.384 124.553 121.223 -0.090 0.000 2.265 125 L HA 0.623 4.963 4.340 0.001 0.000 0.289 125 L C 0.826 177.658 176.870 -0.064 0.000 1.033 125 L CA 0.521 55.311 54.840 -0.083 0.000 0.814 125 L CB 1.266 43.261 42.059 -0.107 0.000 1.203 125 L HN 0.667 nan 8.230 nan 0.000 0.423 126 A N 3.922 126.712 122.820 -0.051 0.000 2.127 126 A HA 0.129 4.449 4.320 0.001 0.000 0.204 126 A C 0.934 178.500 177.584 -0.029 0.000 1.243 126 A CA -0.087 51.928 52.037 -0.036 0.000 0.887 126 A CB -0.234 18.742 19.000 -0.041 0.000 0.933 126 A HN 0.727 nan 8.150 nan 0.000 0.479 127 N N 1.046 119.725 118.700 -0.035 0.000 2.429 127 N HA -0.012 4.728 4.740 0.001 0.000 0.271 127 N C 0.510 176.006 175.510 -0.025 0.000 1.272 127 N CA 0.128 53.160 53.050 -0.029 0.000 0.921 127 N CB 0.541 39.008 38.487 -0.033 0.000 1.128 127 N HN 0.295 nan 8.380 nan 0.000 0.481 128 K N 2.897 123.291 120.400 -0.010 0.000 2.103 128 K HA -0.091 4.229 4.320 0.001 0.000 0.204 128 K C 1.275 177.874 176.600 -0.001 0.000 1.052 128 K CA 0.868 57.157 56.287 0.004 0.000 0.945 128 K CB 0.154 32.669 32.500 0.024 0.000 0.722 128 K HN 0.644 nan 8.250 nan 0.000 0.443 129 E N 0.579 120.775 120.200 -0.006 0.000 2.209 129 E HA -0.136 4.215 4.350 0.001 0.000 0.196 129 E C 1.917 178.507 176.600 -0.017 0.000 0.993 129 E CA 0.829 57.225 56.400 -0.008 0.000 0.819 129 E CB 0.093 29.786 29.700 -0.012 0.000 0.745 129 E HN 0.168 nan 8.360 nan 0.000 0.477 130 S N 0.643 116.326 115.700 -0.027 0.000 2.370 130 S HA -0.142 4.329 4.470 0.001 0.000 0.226 130 S C 1.966 176.541 174.600 -0.041 0.000 1.033 130 S CA 0.949 59.126 58.200 -0.038 0.000 1.011 130 S CB -0.034 63.136 63.200 -0.050 0.000 0.852 130 S HN 0.215 nan 8.310 nan 0.000 0.457 131 L N 0.061 121.257 121.223 -0.045 0.000 2.286 131 L HA 0.107 4.447 4.340 0.001 0.000 0.203 131 L C 2.244 179.107 176.870 -0.011 0.000 1.068 131 L CA 0.343 55.155 54.840 -0.047 0.000 0.811 131 L CB -0.357 41.649 42.059 -0.089 0.000 0.989 131 L HN 0.139 nan 8.230 nan 0.000 0.467 132 V N 0.202 120.119 119.914 0.006 0.000 2.343 132 V HA -0.246 3.874 4.120 0.001 0.000 0.247 132 V C 2.495 178.606 176.094 0.028 0.000 1.051 132 V CA 2.069 64.389 62.300 0.034 0.000 1.036 132 V CB -0.592 31.265 31.823 0.057 0.000 0.654 132 V HN 0.468 nan 8.190 nan 0.000 0.451 133 A N -0.184 122.642 122.820 0.011 0.000 1.920 133 A HA 0.231 4.551 4.320 0.001 0.000 0.209 133 A C 2.340 179.920 177.584 -0.007 0.000 1.229 133 A CA 1.100 53.136 52.037 -0.002 0.000 0.671 133 A CB -0.998 17.993 19.000 -0.014 0.000 0.886 133 A HN 0.461 nan 8.150 nan 0.000 0.461 134 G N -0.740 108.053 108.800 -0.011 0.000 2.422 134 G HA2 0.246 4.206 3.960 0.001 0.000 0.218 134 G HA3 0.246 4.206 3.960 0.001 0.000 0.218 134 G C 1.468 176.363 174.900 -0.008 0.000 1.140 134 G CA 1.131 46.223 45.100 -0.014 0.000 0.775 134 G HN 1.415 nan 8.290 nan 0.000 0.545 135 G N 0.418 109.215 108.800 -0.005 0.000 2.692 135 G HA2 -0.427 3.534 3.960 0.001 0.000 0.339 135 G HA3 -0.427 3.534 3.960 0.001 0.000 0.339 135 G C 1.926 176.824 174.900 -0.004 0.000 1.226 135 G CA 2.685 47.789 45.100 0.006 0.000 0.979 135 G HN 1.476 nan 8.290 nan 0.000 0.549 136 S N 0.387 116.092 115.700 0.008 0.000 2.428 136 S HA 0.211 4.682 4.470 0.001 0.000 0.230 136 S C 2.516 177.111 174.600 -0.007 0.000 1.014 136 S CA 1.553 59.754 58.200 0.002 0.000 0.957 136 S CB -0.115 63.093 63.200 0.014 0.000 0.784 136 S HN 0.596 nan 8.310 nan 0.000 0.499 137 L N 0.889 122.108 121.223 -0.005 0.000 2.042 137 L HA -0.082 4.258 4.340 0.001 0.000 0.210 137 L C 2.648 179.505 176.870 -0.021 0.000 1.076 137 L CA 1.245 56.079 54.840 -0.010 0.000 0.749 137 L CB -0.473 41.582 42.059 -0.008 0.000 0.893 137 L HN 0.279 nan 8.230 nan 0.000 0.432 138 V N -0.507 119.389 119.914 -0.029 0.000 2.346 138 V HA -0.231 3.889 4.120 0.001 0.000 0.244 138 V C 2.278 178.341 176.094 -0.052 0.000 1.037 138 V CA 1.211 63.485 62.300 -0.043 0.000 1.029 138 V CB -0.162 31.630 31.823 -0.052 0.000 0.663 138 V HN 0.316 nan 8.190 nan 0.000 0.454 139 L N -0.340 120.851 121.223 -0.054 0.000 2.046 139 L HA -0.167 4.174 4.340 0.001 0.000 0.208 139 L C 2.794 179.635 176.870 -0.050 0.000 1.077 139 L CA 1.642 56.443 54.840 -0.064 0.000 0.747 139 L CB -0.530 41.489 42.059 -0.067 0.000 0.896 139 L HN 0.279 nan 8.230 nan 0.000 0.432 140 R N -0.333 120.147 120.500 -0.035 0.000 2.152 140 R HA -0.107 4.233 4.340 0.001 0.000 0.232 140 R C 2.133 178.417 176.300 -0.027 0.000 1.117 140 R CA 1.173 57.257 56.100 -0.027 0.000 0.981 140 R CB -0.262 30.027 30.300 -0.017 0.000 0.870 140 R HN 0.330 nan 8.270 nan 0.000 0.451 141 A N 0.815 123.616 122.820 -0.031 0.000 2.132 141 A HA 0.303 4.623 4.320 0.001 0.000 0.213 141 A C 0.955 178.518 177.584 -0.036 0.000 1.154 141 A CA 0.326 52.345 52.037 -0.030 0.000 0.753 141 A CB 0.267 19.250 19.000 -0.029 0.000 0.826 141 A HN 0.263 nan 8.150 nan 0.000 0.469 142 A N 0.321 123.114 122.820 -0.046 0.000 2.310 142 A HA 0.641 4.961 4.320 0.001 0.000 0.299 142 A C 0.272 177.827 177.584 -0.048 0.000 1.147 142 A CA -0.611 51.394 52.037 -0.053 0.000 0.818 142 A CB 0.356 19.311 19.000 -0.076 0.000 1.096 142 A HN 0.474 nan 8.150 nan 0.000 0.495 143 R N 1.429 121.905 120.500 -0.040 0.000 2.532 143 R HA 0.408 4.748 4.340 0.001 0.000 0.272 143 R C -2.538 173.740 176.300 -0.036 0.000 1.032 143 R CA -1.714 54.368 56.100 -0.031 0.000 1.089 143 R CB 0.294 30.584 30.300 -0.017 0.000 1.098 143 R HN 0.443 nan 8.270 nan 0.000 0.526 144 P HA -0.022 nan 4.420 nan 0.000 0.261 144 P C 0.411 177.703 177.300 -0.012 0.000 1.183 144 P CA 0.918 64.004 63.100 -0.024 0.000 0.761 144 P CB 0.444 32.141 31.700 -0.006 0.000 0.785 145 G N 2.685 111.466 108.800 -0.030 0.000 2.184 145 G HA2 -0.354 3.606 3.960 0.001 0.000 0.264 145 G HA3 -0.354 3.606 3.960 0.001 0.000 0.264 145 G C 1.019 175.898 174.900 -0.035 0.000 0.975 145 G CA 0.496 45.586 45.100 -0.016 0.000 0.642 145 G HN 0.574 nan 8.290 nan 0.000 0.536 146 Q N -0.474 119.295 119.800 -0.052 0.000 2.187 146 Q HA 0.225 4.565 4.340 0.001 0.000 0.199 146 Q C 1.173 177.123 176.000 -0.083 0.000 0.957 146 Q CA 0.561 56.336 55.803 -0.047 0.000 0.857 146 Q CB 0.015 28.727 28.738 -0.042 0.000 0.929 146 Q HN 0.680 nan 8.270 nan 0.000 0.453 147 I N 1.711 122.201 120.570 -0.133 0.000 2.304 147 I HA 0.173 4.343 4.170 0.001 0.000 0.291 147 I C -0.965 175.002 176.117 -0.251 0.000 1.018 147 I CA -0.668 60.527 61.300 -0.175 0.000 1.260 147 I CB 1.629 39.511 38.000 -0.195 0.000 1.390 147 I HN -0.157 nan 8.210 nan 0.000 0.475 148 V N 8.909 128.676 119.914 -0.245 0.000 2.357 148 V HA 0.357 4.478 4.120 0.001 0.000 0.284 148 V C -2.037 173.905 176.094 -0.254 0.000 1.018 148 V CA -1.687 60.403 62.300 -0.351 0.000 0.841 148 V CB 1.519 33.125 31.823 -0.362 0.000 0.991 148 V HN 0.580 nan 8.190 nan 0.000 0.437 149 P HA 0.239 nan 4.420 nan 0.000 0.278 149 P C 0.439 177.700 177.300 -0.066 0.000 1.238 149 P CA -0.027 62.988 63.100 -0.142 0.000 0.794 149 P CB 2.245 33.876 31.700 -0.114 0.000 0.955 150 V N 1.552 121.449 119.914 -0.028 0.000 2.949 150 V HA -0.030 4.091 4.120 0.001 0.000 0.245 150 V C 1.356 177.451 176.094 0.003 0.000 1.086 150 V CA 0.607 62.896 62.300 -0.018 0.000 1.097 150 V CB -1.225 30.578 31.823 -0.034 0.000 0.762 150 V HN 0.633 nan 8.190 nan 0.000 0.470 151 N N 0.932 119.660 118.700 0.046 0.000 2.356 151 N HA -0.110 4.631 4.740 0.001 0.000 0.252 151 N C 1.533 177.031 175.510 -0.019 0.000 1.241 151 N CA 0.791 53.856 53.050 0.025 0.000 0.861 151 N CB 0.942 39.485 38.487 0.094 0.000 1.075 151 N HN 0.283 nan 8.380 nan 0.000 0.461 152 S N 2.215 117.864 115.700 -0.085 0.000 2.382 152 S HA -0.174 4.297 4.470 0.001 0.000 0.228 152 S C 1.303 175.853 174.600 -0.083 0.000 1.027 152 S CA 1.142 59.259 58.200 -0.137 0.000 0.991 152 S CB -0.387 62.644 63.200 -0.282 0.000 0.823 152 S HN 0.708 nan 8.310 nan 0.000 0.469 153 E N 1.200 121.336 120.200 -0.107 0.000 2.051 153 E HA -0.081 4.270 4.350 0.001 0.000 0.192 153 E C 1.983 178.545 176.600 -0.064 0.000 0.991 153 E CA 1.773 58.105 56.400 -0.112 0.000 0.799 153 E CB -0.477 29.082 29.700 -0.235 0.000 0.748 153 E HN 0.826 nan 8.360 nan 0.000 0.449 154 H N -0.976 118.142 119.070 0.080 0.000 2.395 154 H HA 0.012 4.568 4.556 0.001 0.000 0.299 154 H C 2.179 177.590 175.328 0.138 0.000 1.070 154 H CA 1.045 57.193 56.048 0.167 0.000 1.356 154 H CB 0.075 29.922 29.762 0.142 0.000 1.401 154 H HN 0.040 nan 8.280 nan 0.000 0.524 155 S N 0.383 116.181 115.700 0.163 0.000 2.359 155 S HA -0.222 4.249 4.470 0.001 0.000 0.224 155 S C 2.443 177.111 174.600 0.114 0.000 1.035 155 S CA 1.017 59.280 58.200 0.104 0.000 1.018 155 S CB -0.429 62.808 63.200 0.062 0.000 0.876 155 S HN 0.511 nan 8.310 nan 0.000 0.448 156 A N 1.516 124.386 122.820 0.083 0.000 1.892 156 A HA -0.055 4.265 4.320 0.001 0.000 0.218 156 A C 2.251 179.853 177.584 0.030 0.000 1.188 156 A CA 1.753 53.838 52.037 0.080 0.000 0.631 156 A CB -0.966 18.089 19.000 0.092 0.000 0.822 156 A HN 0.591 nan 8.150 nan 0.000 0.447 157 L N -0.931 120.271 121.223 -0.036 0.000 2.046 157 L HA -0.215 4.126 4.340 0.001 0.000 0.208 157 L C 3.103 179.816 176.870 -0.261 0.000 1.077 157 L CA 1.124 55.826 54.840 -0.230 0.000 0.747 157 L CB -0.571 41.222 42.059 -0.444 0.000 0.896 157 L HN 0.451 nan 8.230 nan 0.000 0.432 158 A N -0.585 122.180 122.820 -0.091 0.000 1.972 158 A HA -0.236 4.084 4.320 0.001 0.000 0.219 158 A C 2.215 179.957 177.584 0.263 0.000 1.169 158 A CA 1.525 53.615 52.037 0.087 0.000 0.635 158 A CB -0.371 18.664 19.000 0.059 0.000 0.810 158 A HN 0.514 nan 8.150 nan 0.000 0.446 159 Q N -1.256 118.690 119.800 0.244 0.000 2.137 159 Q HA -0.111 4.229 4.340 0.001 0.000 0.198 159 Q C 2.199 178.290 176.000 0.153 0.000 0.960 159 Q CA 1.491 57.438 55.803 0.240 0.000 0.847 159 Q CB -0.285 28.574 28.738 0.201 0.000 0.915 159 Q HN 0.750 nan 8.270 nan 0.000 0.448 160 C N 0.512 119.873 119.300 0.102 0.000 2.446 160 C HA 0.011 4.471 4.460 0.001 0.000 0.279 160 C C 2.377 177.482 174.990 0.192 0.000 1.366 160 C CA 0.178 59.265 59.018 0.115 0.000 1.763 160 C CB -0.791 26.980 27.740 0.051 0.000 1.929 160 C HN 0.454 nan 8.230 nan 0.000 0.509 161 L N 0.561 121.850 121.223 0.109 0.000 2.353 161 L HA -0.109 4.231 4.340 0.001 0.000 0.220 161 L C 2.594 179.603 176.870 0.231 0.000 1.133 161 L CA 1.117 56.053 54.840 0.159 0.000 0.798 161 L CB -0.479 41.588 42.059 0.013 0.000 0.922 161 L HN 0.356 nan 8.230 nan 0.000 0.445 162 R N -0.273 120.336 120.500 0.181 0.000 2.285 162 R HA -0.060 4.280 4.340 0.001 0.000 0.213 162 R C 2.121 178.454 176.300 0.055 0.000 1.068 162 R CA 0.784 56.955 56.100 0.119 0.000 1.004 162 R CB -0.392 29.963 30.300 0.092 0.000 0.873 162 R HN 0.362 nan 8.270 nan 0.000 0.467 163 G N 0.005 108.848 108.800 0.073 0.000 2.776 163 G HA2 0.134 4.094 3.960 0.001 0.000 0.209 163 G HA3 0.134 4.094 3.960 0.001 0.000 0.209 163 G C 0.377 174.924 174.900 -0.590 0.000 1.145 163 G CA 0.586 45.566 45.100 -0.200 0.000 0.791 163 G HN 0.438 nan 8.290 nan 0.000 0.530 164 G N -1.255 107.376 108.800 -0.282 0.000 2.488 164 G HA2 0.489 4.449 3.960 0.001 0.000 0.301 164 G HA3 0.489 4.449 3.960 0.001 0.000 0.301 164 G C -0.373 174.574 174.900 0.078 0.000 1.339 164 G CA 0.084 45.059 45.100 -0.208 0.000 0.803 164 G HN 0.538 nan 8.290 nan 0.000 0.482 165 T N -1.074 113.525 114.554 0.075 0.000 2.813 165 T HA 0.453 4.804 4.350 0.001 0.000 0.297 165 T C -1.387 173.397 174.700 0.141 0.000 1.036 165 T CA -0.774 61.383 62.100 0.093 0.000 1.044 165 T CB 1.608 70.510 68.868 0.056 0.000 0.993 165 T HN 0.130 nan 8.240 nan 0.000 0.535 166 P HA -0.073 nan 4.420 nan 0.000 0.216 166 P C 0.895 178.236 177.300 0.067 0.000 1.150 166 P CA 0.999 64.147 63.100 0.080 0.000 0.843 166 P CB -0.037 31.698 31.700 0.058 0.000 0.787 167 D N -0.837 119.602 120.400 0.065 0.000 2.310 167 D HA -0.102 4.538 4.640 0.001 0.000 0.212 167 D C 1.468 177.813 176.300 0.075 0.000 0.965 167 D CA 0.863 54.896 54.000 0.054 0.000 0.879 167 D CB -0.381 40.444 40.800 0.042 0.000 0.921 167 D HN 0.364 nan 8.370 nan 0.000 0.510 168 E N -0.074 120.204 120.200 0.131 0.000 2.479 168 E HA 0.056 4.407 4.350 0.001 0.000 0.193 168 E C 0.012 176.763 176.600 0.252 0.000 1.049 168 E CA -0.099 56.425 56.400 0.206 0.000 0.870 168 E CB 0.877 30.722 29.700 0.242 0.000 0.944 168 E HN 0.002 nan 8.360 nan 0.000 0.492 169 V N 1.370 121.339 119.914 0.092 0.000 2.508 169 V HA 0.086 4.206 4.120 0.001 0.000 0.281 169 V C 0.876 176.908 176.094 -0.103 0.000 1.041 169 V CA 0.373 62.591 62.300 -0.137 0.000 1.016 169 V CB 1.146 32.869 31.823 -0.167 0.000 0.984 169 V HN 0.197 nan 8.190 nan 0.000 0.478 170 A N 5.137 127.864 122.820 -0.155 0.000 1.944 170 A HA 0.353 4.673 4.320 0.001 0.000 0.207 170 A C 0.850 178.368 177.584 -0.109 0.000 1.265 170 A CA 0.475 52.457 52.037 -0.091 0.000 0.712 170 A CB 0.336 19.302 19.000 -0.056 0.000 0.915 170 A HN 0.669 nan 8.150 nan 0.000 0.470 171 K N -0.217 120.082 120.400 -0.168 0.000 2.523 171 K HA 0.604 4.925 4.320 0.001 0.000 0.257 171 K C -1.740 174.746 176.600 -0.190 0.000 0.932 171 K CA -0.370 55.833 56.287 -0.140 0.000 0.812 171 K CB 2.171 34.608 32.500 -0.105 0.000 1.326 171 K HN 0.202 nan 8.250 nan 0.000 0.433 172 L N 2.966 124.103 121.223 -0.142 0.000 2.282 172 L HA 0.527 4.868 4.340 0.001 0.000 0.288 172 L C -0.611 176.204 176.870 -0.092 0.000 1.033 172 L CA -1.187 53.565 54.840 -0.145 0.000 0.807 172 L CB 1.500 43.484 42.059 -0.125 0.000 1.209 172 L HN 0.245 nan 8.230 nan 0.000 0.423 173 V N 4.793 124.647 119.914 -0.100 0.000 2.376 173 V HA 0.331 4.451 4.120 0.001 0.000 0.287 173 V C -0.097 175.969 176.094 -0.046 0.000 1.015 173 V CA -0.504 61.754 62.300 -0.069 0.000 0.834 173 V CB 1.663 33.426 31.823 -0.099 0.000 1.001 173 V HN 0.440 nan 8.190 nan 0.000 0.428 174 L N 4.901 126.116 121.223 -0.013 0.000 2.292 174 L HA 0.552 4.892 4.340 0.001 0.000 0.284 174 L C 0.923 177.808 176.870 0.024 0.000 1.065 174 L CA 0.393 55.233 54.840 0.000 0.000 0.806 174 L CB 1.736 43.801 42.059 0.010 0.000 1.175 174 L HN 0.831 nan 8.230 nan 0.000 0.431 175 T N 0.429 115.006 114.554 0.039 0.000 2.882 175 T HA 0.834 5.185 4.350 0.001 0.000 0.287 175 T C -0.174 174.560 174.700 0.057 0.000 0.992 175 T CA -0.728 61.426 62.100 0.089 0.000 1.076 175 T CB 1.560 70.503 68.868 0.125 0.000 0.961 175 T HN 0.726 nan 8.240 nan 0.000 0.490 176 A N 1.736 124.589 122.820 0.055 0.000 2.393 176 A HA 0.652 4.972 4.320 0.001 0.000 0.306 176 A C 1.172 178.739 177.584 -0.029 0.000 1.050 176 A CA -0.360 51.676 52.037 -0.001 0.000 0.724 176 A CB 1.446 20.432 19.000 -0.023 0.000 1.248 176 A HN 1.123 nan 8.150 nan 0.000 0.424 177 S N 1.547 117.205 115.700 -0.071 0.000 2.382 177 S HA 0.227 4.698 4.470 0.001 0.000 0.228 177 S C 1.548 176.066 174.600 -0.136 0.000 1.027 177 S CA 1.763 59.894 58.200 -0.116 0.000 0.991 177 S CB -0.235 62.890 63.200 -0.124 0.000 0.823 177 S HN 2.717 nan 8.310 nan 0.000 0.469 178 G N 0.433 109.135 108.800 -0.163 0.000 2.232 178 G HA2 0.244 4.205 3.960 0.001 0.000 0.226 178 G HA3 0.244 4.205 3.960 0.001 0.000 0.226 178 G C 1.230 175.948 174.900 -0.304 0.000 0.996 178 G CA 0.301 45.260 45.100 -0.234 0.000 0.626 178 G HN 1.887 nan 8.290 nan 0.000 0.509 179 G N 0.293 108.936 108.800 -0.261 0.000 2.750 179 G HA2 0.120 4.080 3.960 0.001 0.000 0.228 179 G HA3 0.120 4.080 3.960 0.001 0.000 0.228 179 G C -0.603 174.035 174.900 -0.437 0.000 1.367 179 G CA 0.469 45.370 45.100 -0.333 0.000 0.871 179 G HN 0.911 nan 8.290 nan 0.000 0.560 180 P HA 0.015 nan 4.420 nan 0.000 0.222 180 P C 1.074 177.826 177.300 -0.913 0.000 1.147 180 P CA 1.528 64.142 63.100 -0.810 0.000 0.790 180 P CB -0.095 30.932 31.700 -1.122 0.000 0.780 181 F N -0.507 119.051 119.950 -0.654 0.000 2.750 181 F HA 0.285 4.812 4.527 0.000 0.000 0.297 181 F C 1.299 176.914 175.800 -0.307 0.000 1.138 181 F CA -1.110 56.237 58.000 -1.088 0.000 1.346 181 F CB -0.081 38.382 39.000 -0.895 0.000 0.965 181 F HN -0.270 nan 8.300 nan 0.000 0.514 182 R N 1.320 121.765 120.500 -0.091 0.000 2.484 182 R HA 0.262 4.602 4.340 0.001 0.000 0.293 182 R C 1.254 177.737 176.300 0.306 0.000 1.023 182 R CA 1.217 57.341 56.100 0.040 0.000 1.037 182 R CB 0.177 30.447 30.300 -0.049 0.000 0.951 182 R HN 0.576 nan 8.270 nan 0.000 0.418 183 G N 3.541 112.558 108.800 0.360 0.000 2.205 183 G HA2 -0.256 3.705 3.960 0.001 0.000 0.261 183 G HA3 -0.256 3.705 3.960 0.001 0.000 0.261 183 G C -0.484 174.701 174.900 0.475 0.000 0.980 183 G CA 0.141 45.464 45.100 0.371 0.000 0.632 183 G HN 0.606 nan 8.290 nan 0.000 0.533 184 W N 2.403 123.864 121.300 0.267 0.000 2.170 184 W HA 0.584 5.244 4.660 -0.000 0.000 0.336 184 W C 1.279 177.869 176.519 0.117 0.000 1.283 184 W CA -0.153 57.308 57.345 0.193 0.000 1.224 184 W CB 0.608 30.204 29.460 0.226 0.000 1.132 184 W HN 0.532 nan 8.180 nan 0.000 0.571 185 S N 1.043 116.868 115.700 0.209 0.000 2.645 185 S HA 0.547 5.017 4.470 0.001 0.000 0.266 185 S C 1.068 175.690 174.600 0.037 0.000 1.258 185 S CA -0.238 58.014 58.200 0.087 0.000 0.990 185 S CB 1.328 64.546 63.200 0.029 0.000 0.967 185 S HN 0.640 nan 8.310 nan 0.000 0.556 186 A N 1.237 124.037 122.820 -0.034 0.000 1.978 186 A HA 0.101 4.421 4.320 0.001 0.000 0.220 186 A C 2.329 179.867 177.584 -0.075 0.000 1.170 186 A CA 1.848 53.839 52.037 -0.078 0.000 0.636 186 A CB -1.646 17.305 19.000 -0.083 0.000 0.810 186 A HN 1.295 nan 8.150 nan 0.000 0.448 187 A N 0.140 122.924 122.820 -0.060 0.000 1.873 187 A HA -0.168 4.153 4.320 0.001 0.000 0.215 187 A C 1.787 179.277 177.584 -0.157 0.000 1.186 187 A CA 1.723 53.704 52.037 -0.094 0.000 0.616 187 A CB -0.586 18.394 19.000 -0.034 0.000 0.823 187 A HN 0.463 nan 8.150 nan 0.000 0.442 188 D N 0.325 120.702 120.400 -0.038 0.000 2.133 188 D HA -0.162 4.479 4.640 0.001 0.000 0.195 188 D C 1.854 178.199 176.300 0.075 0.000 0.997 188 D CA 1.204 55.226 54.000 0.037 0.000 0.840 188 D CB -0.413 40.381 40.800 -0.010 0.000 0.947 188 D HN 0.449 nan 8.370 nan 0.000 0.452 189 L N 1.015 122.264 121.223 0.044 0.000 2.275 189 L HA -0.114 4.226 4.340 0.001 0.000 0.215 189 L C 2.253 179.076 176.870 -0.078 0.000 1.119 189 L CA 0.692 55.519 54.840 -0.022 0.000 0.790 189 L CB -0.264 41.810 42.059 0.024 0.000 0.919 189 L HN -0.039 nan 8.230 nan 0.000 0.443 190 E N -0.355 119.720 120.200 -0.209 0.000 2.153 190 E HA -0.185 4.165 4.350 0.001 0.000 0.194 190 E C 1.845 178.330 176.600 -0.192 0.000 0.988 190 E CA 1.089 57.342 56.400 -0.246 0.000 0.811 190 E CB -0.191 29.283 29.700 -0.377 0.000 0.746 190 E HN 0.636 nan 8.360 nan 0.000 0.466 191 H N -0.237 118.853 119.070 0.034 0.000 2.548 191 H HA 0.112 4.669 4.556 0.000 0.000 0.265 191 H C 0.543 175.899 175.328 0.046 0.000 0.969 191 H CA -0.064 56.008 56.048 0.041 0.000 1.155 191 H CB -0.030 29.749 29.762 0.028 0.000 1.394 191 H HN -0.115 nan 8.280 nan 0.000 0.570 192 V N 3.913 123.852 119.914 0.042 0.000 2.509 192 V HA -0.067 4.054 4.120 0.001 0.000 0.297 192 V C 1.127 177.336 176.094 0.192 0.000 1.014 192 V CA 0.489 62.727 62.300 -0.103 0.000 1.127 192 V CB 0.358 31.706 31.823 -0.792 0.000 0.925 192 V HN 0.455 nan 8.190 nan 0.000 0.480 193 T N 3.919 118.585 114.554 0.187 0.000 2.922 193 T HA 0.366 4.717 4.350 0.001 0.000 0.285 193 T C -1.607 173.225 174.700 0.221 0.000 1.005 193 T CA -1.988 60.216 62.100 0.174 0.000 1.061 193 T CB 1.694 70.614 68.868 0.087 0.000 1.007 193 T HN 0.385 nan 8.240 nan 0.000 0.502 194 P HA -0.182 nan 4.420 nan 0.000 0.216 194 P C 1.424 178.711 177.300 -0.021 0.000 1.157 194 P CA 1.389 64.387 63.100 -0.169 0.000 0.880 194 P CB 0.093 31.563 31.700 -0.383 0.000 0.791 195 E N -0.335 119.832 120.200 -0.054 0.000 2.085 195 E HA -0.258 4.092 4.350 0.001 0.000 0.194 195 E C 2.068 178.655 176.600 -0.022 0.000 0.994 195 E CA 1.186 57.527 56.400 -0.099 0.000 0.801 195 E CB -0.332 29.350 29.700 -0.030 0.000 0.743 195 E HN 0.284 nan 8.360 nan 0.000 0.453 196 Q N -0.401 119.459 119.800 0.099 0.000 2.124 196 Q HA -0.101 4.239 4.340 0.001 0.000 0.202 196 Q C 1.805 177.907 176.000 0.169 0.000 0.977 196 Q CA 1.212 57.122 55.803 0.180 0.000 0.850 196 Q CB -0.065 28.833 28.738 0.268 0.000 0.901 196 Q HN 0.314 nan 8.270 nan 0.000 0.429 197 A N -0.039 122.914 122.820 0.221 0.000 2.276 197 A HA 0.323 4.643 4.320 0.001 0.000 0.212 197 A C 1.175 178.789 177.584 0.050 0.000 1.230 197 A CA 0.682 52.822 52.037 0.171 0.000 0.844 197 A CB -0.405 18.823 19.000 0.380 0.000 0.860 197 A HN 0.447 nan 8.150 nan 0.000 0.486 198 G N -2.003 106.781 108.800 -0.027 0.000 2.130 198 G HA2 0.109 4.070 3.960 0.001 0.000 0.216 198 G HA3 0.109 4.070 3.960 0.001 0.000 0.216 198 G C 0.284 175.069 174.900 -0.191 0.000 0.999 198 G CA 0.082 45.149 45.100 -0.055 0.000 0.686 198 G HN 1.614 nan 8.290 nan 0.000 0.515 199 A N 0.738 123.370 122.820 -0.313 0.000 2.457 199 A HA 0.676 4.997 4.320 0.001 0.000 0.298 199 A C 0.218 177.461 177.584 -0.568 0.000 1.288 199 A CA 0.260 52.123 52.037 -0.291 0.000 0.956 199 A CB -0.090 18.812 19.000 -0.162 0.000 1.135 199 A HN 0.748 nan 8.150 nan 0.000 0.535 200 H N 1.505 120.594 119.070 0.031 0.000 2.895 200 H HA 0.457 5.013 4.556 0.000 0.000 0.373 200 H C -2.529 172.822 175.328 0.038 0.000 1.174 200 H CA -1.908 54.159 56.048 0.032 0.000 1.144 200 H CB 1.087 30.870 29.762 0.035 0.000 1.793 200 H HN 0.358 nan 8.280 nan 0.000 0.551 201 P HA 0.067 nan 4.420 nan 0.000 0.231 201 P C -0.598 176.789 177.300 0.144 0.000 1.756 201 P CA -0.245 62.926 63.100 0.119 0.000 0.990 201 P CB -0.558 31.200 31.700 0.097 0.000 1.973 202 T N 1.636 116.279 114.554 0.148 0.000 2.901 202 T HA -0.020 4.331 4.350 0.001 0.000 0.301 202 T C 1.115 175.910 174.700 0.159 0.000 1.012 202 T CA -0.412 61.783 62.100 0.158 0.000 1.135 202 T CB 0.549 69.488 68.868 0.118 0.000 0.936 202 T HN 0.452 nan 8.240 nan 0.000 0.539 203 W N 3.091 124.403 121.300 0.020 0.000 2.467 203 W HA -0.059 4.602 4.660 0.001 0.000 0.275 203 W C 1.446 177.962 176.519 -0.005 0.000 1.239 203 W CA 0.641 57.993 57.345 0.012 0.000 1.266 203 W CB -1.090 28.371 29.460 0.003 0.000 1.112 203 W HN 0.566 nan 8.180 nan 0.000 0.576 204 S N 1.479 116.737 115.700 -0.736 0.000 2.335 204 S HA -0.013 4.457 4.470 0.001 0.000 0.217 204 S C 1.216 175.521 174.600 -0.491 0.000 1.032 204 S CA 1.625 59.272 58.200 -0.922 0.000 0.985 204 S CB -0.268 62.668 63.200 -0.440 0.000 0.896 204 S HN 0.342 nan 8.310 nan 0.000 0.445 205 M N -0.482 118.969 119.600 -0.248 0.000 2.727 205 M HA 0.708 5.189 4.480 0.001 0.000 0.300 205 M C 0.162 176.413 176.300 -0.082 0.000 1.246 205 M CA -0.958 54.252 55.300 -0.151 0.000 0.835 205 M CB 0.974 33.514 32.600 -0.100 0.000 1.755 205 M HN 0.137 nan 8.290 nan 0.000 0.473 206 G N 1.172 109.938 108.800 -0.057 0.000 2.491 206 G HA2 0.381 4.341 3.960 0.001 0.000 0.238 206 G HA3 0.381 4.341 3.960 0.001 0.000 0.238 206 G C -1.773 173.125 174.900 -0.004 0.000 1.277 206 G CA -1.146 43.940 45.100 -0.024 0.000 0.851 206 G HN 0.684 nan 8.290 nan 0.000 0.573 207 P HA -0.109 nan 4.420 nan 0.000 0.222 207 P C 1.693 179.011 177.300 0.030 0.000 1.147 207 P CA 0.957 64.070 63.100 0.022 0.000 0.790 207 P CB 0.184 31.895 31.700 0.020 0.000 0.780 208 M N -0.798 118.816 119.600 0.023 0.000 2.388 208 M HA -0.013 4.468 4.480 0.001 0.000 0.265 208 M C 1.672 177.987 176.300 0.025 0.000 1.088 208 M CA 0.933 56.251 55.300 0.030 0.000 1.134 208 M CB -1.604 31.006 32.600 0.016 0.000 1.384 208 M HN 0.028 nan 8.290 nan 0.000 0.447 209 N N 0.140 118.846 118.700 0.010 0.000 2.043 209 N HA -0.135 4.605 4.740 0.001 0.000 0.193 209 N C 1.512 177.023 175.510 0.002 0.000 1.037 209 N CA 2.047 55.097 53.050 0.000 0.000 0.851 209 N CB -0.124 38.353 38.487 -0.016 0.000 1.027 209 N HN 0.297 nan 8.380 nan 0.000 0.422 210 T N 1.344 115.903 114.554 0.008 0.000 2.746 210 T HA -0.112 4.238 4.350 0.001 0.000 0.267 210 T C 1.858 176.566 174.700 0.013 0.000 1.039 210 T CA 0.673 62.774 62.100 0.001 0.000 1.142 210 T CB -0.337 68.541 68.868 0.017 0.000 0.866 210 T HN 0.100 nan 8.240 nan 0.000 0.444 211 L N 2.117 123.376 121.223 0.060 0.000 2.017 211 L HA -0.022 4.319 4.340 0.001 0.000 0.208 211 L C 1.860 178.795 176.870 0.108 0.000 1.073 211 L CA 1.724 56.641 54.840 0.128 0.000 0.745 211 L CB -1.016 41.149 42.059 0.177 0.000 0.894 211 L HN 0.073 nan 8.230 nan 0.000 0.432 212 N N -0.777 117.957 118.700 0.057 0.000 2.223 212 N HA -0.172 4.568 4.740 0.001 0.000 0.185 212 N C 2.088 177.616 175.510 0.030 0.000 1.016 212 N CA 1.323 54.394 53.050 0.035 0.000 0.863 212 N CB -0.394 38.105 38.487 0.020 0.000 0.983 212 N HN 0.540 nan 8.380 nan 0.000 0.429 213 S N 0.157 115.861 115.700 0.007 0.000 2.387 213 S HA 0.053 4.524 4.470 0.001 0.000 0.226 213 S C 1.963 176.532 174.600 -0.052 0.000 1.026 213 S CA 1.017 59.197 58.200 -0.032 0.000 0.972 213 S CB -0.168 62.997 63.200 -0.059 0.000 0.814 213 S HN 0.323 nan 8.310 nan 0.000 0.477 214 A N 1.288 124.092 122.820 -0.026 0.000 1.930 214 A HA -0.003 4.317 4.320 0.001 0.000 0.217 214 A C 2.400 180.180 177.584 0.328 0.000 1.175 214 A CA 1.956 53.988 52.037 -0.008 0.000 0.627 214 A CB -0.968 17.991 19.000 -0.069 0.000 0.815 214 A HN 0.844 nan 8.150 nan 0.000 0.443 215 S N -1.900 113.986 115.700 0.310 0.000 2.528 215 S HA 0.258 4.728 4.470 0.001 0.000 0.219 215 S C 0.750 175.459 174.600 0.182 0.000 0.985 215 S CA 0.644 58.990 58.200 0.244 0.000 0.914 215 S CB -0.237 62.934 63.200 -0.050 0.000 0.776 215 S HN 0.698 nan 8.310 nan 0.000 0.526 216 L N -0.301 120.982 121.223 0.099 0.000 4.496 216 L HA -0.188 4.152 4.340 0.001 0.000 0.419 216 L C 1.269 178.190 176.870 0.086 0.000 1.139 216 L CA 0.471 55.344 54.840 0.056 0.000 0.975 216 L CB -1.934 40.149 42.059 0.041 0.000 2.099 216 L HN 0.265 nan 8.230 nan 0.000 0.818 217 V N -0.999 118.959 119.914 0.073 0.000 2.453 217 V HA -0.197 3.923 4.120 0.001 0.000 0.247 217 V C 2.158 178.324 176.094 0.121 0.000 1.048 217 V CA 2.132 64.492 62.300 0.100 0.000 1.049 217 V CB -0.300 31.514 31.823 -0.015 0.000 0.672 217 V HN 0.695 nan 8.190 nan 0.000 0.457 218 N N 0.797 119.538 118.700 0.067 0.000 2.061 218 N HA -0.251 4.490 4.740 0.001 0.000 0.193 218 N C 1.737 177.286 175.510 0.065 0.000 1.030 218 N CA 1.792 54.876 53.050 0.057 0.000 0.856 218 N CB -0.181 38.319 38.487 0.021 0.000 1.023 218 N HN 0.245 nan 8.380 nan 0.000 0.424 219 K N -0.196 120.236 120.400 0.053 0.000 2.097 219 K HA 0.104 4.425 4.320 0.001 0.000 0.205 219 K C 1.907 178.556 176.600 0.082 0.000 1.050 219 K CA 1.331 57.648 56.287 0.049 0.000 0.938 219 K CB -1.021 31.495 32.500 0.027 0.000 0.718 219 K HN 0.291 nan 8.250 nan 0.000 0.442 220 G N 0.860 109.727 108.800 0.112 0.000 2.476 220 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 220 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 220 G C 1.487 176.440 174.900 0.089 0.000 1.164 220 G CA 1.164 46.327 45.100 0.105 0.000 0.768 220 G HN 0.294 nan 8.290 nan 0.000 0.560 221 L N -0.188 121.138 121.223 0.171 0.000 2.083 221 L HA -0.138 4.203 4.340 0.001 0.000 0.209 221 L C 3.174 180.136 176.870 0.152 0.000 1.083 221 L CA 1.273 56.209 54.840 0.160 0.000 0.752 221 L CB -0.478 41.680 42.059 0.165 0.000 0.899 221 L HN 0.306 nan 8.230 nan 0.000 0.433 222 Q N -0.679 119.213 119.800 0.153 0.000 2.119 222 Q HA -0.162 4.178 4.340 0.001 0.000 0.201 222 Q C 2.385 178.550 176.000 0.276 0.000 0.972 222 Q CA 1.278 57.211 55.803 0.217 0.000 0.847 222 Q CB -0.144 28.620 28.738 0.044 0.000 0.903 222 Q HN 0.353 nan 8.270 nan 0.000 0.433 223 V N 1.144 121.169 119.914 0.185 0.000 2.295 223 V HA -0.278 3.842 4.120 0.001 0.000 0.246 223 V C 2.133 178.393 176.094 0.278 0.000 1.049 223 V CA 1.658 64.083 62.300 0.209 0.000 1.024 223 V CB -0.443 31.481 31.823 0.169 0.000 0.648 223 V HN 0.341 nan 8.190 nan 0.000 0.447 224 I N -0.185 120.533 120.570 0.246 0.000 2.163 224 I HA -0.275 3.895 4.170 0.001 0.000 0.243 224 I C 2.531 178.757 176.117 0.181 0.000 1.085 224 I CA 1.806 63.272 61.300 0.277 0.000 1.347 224 I CB -0.438 37.630 38.000 0.112 0.000 1.044 224 I HN 0.382 nan 8.210 nan 0.000 0.408 225 E N 0.161 120.429 120.200 0.113 0.000 2.110 225 E HA -0.177 4.174 4.350 0.001 0.000 0.193 225 E C 2.150 178.654 176.600 -0.159 0.000 0.988 225 E CA 1.776 58.142 56.400 -0.056 0.000 0.804 225 E CB -0.178 29.454 29.700 -0.113 0.000 0.745 225 E HN 0.464 nan 8.360 nan 0.000 0.458 226 T N 0.052 114.651 114.554 0.074 0.000 2.665 226 T HA -0.242 4.108 4.350 0.001 0.000 0.268 226 T C 1.725 176.475 174.700 0.084 0.000 1.035 226 T CA 1.892 64.114 62.100 0.204 0.000 1.151 226 T CB -0.443 68.620 68.868 0.326 0.000 0.862 226 T HN 0.338 nan 8.240 nan 0.000 0.438 227 H N 0.832 119.832 119.070 -0.118 0.000 2.352 227 H HA 0.024 4.580 4.556 0.000 0.000 0.299 227 H C 1.943 177.143 175.328 -0.213 0.000 1.097 227 H CA 1.441 57.309 56.048 -0.300 0.000 1.311 227 H CB -0.421 28.892 29.762 -0.749 0.000 1.377 227 H HN 0.280 nan 8.280 nan 0.000 0.504 228 L N -0.615 120.478 121.223 -0.217 0.000 2.131 228 L HA -0.045 4.295 4.340 0.001 0.000 0.206 228 L C 2.457 179.116 176.870 -0.351 0.000 1.087 228 L CA 0.515 55.202 54.840 -0.255 0.000 0.767 228 L CB -0.205 41.785 42.059 -0.116 0.000 0.917 228 L HN 0.270 nan 8.230 nan 0.000 0.441 229 L N -1.273 119.660 121.223 -0.483 0.000 2.056 229 L HA -0.138 4.203 4.340 0.001 0.000 0.207 229 L C 1.720 178.099 176.870 -0.818 0.000 1.078 229 L CA 1.549 55.902 54.840 -0.811 0.000 0.749 229 L CB -0.168 41.093 42.059 -1.330 0.000 0.901 229 L HN 0.195 nan 8.230 nan 0.000 0.433 230 F N -1.377 118.457 119.950 -0.193 0.000 2.682 230 F HA 0.332 4.860 4.527 0.002 0.000 0.308 230 F C 1.547 177.236 175.800 -0.186 0.000 1.093 230 F CA 0.179 58.085 58.000 -0.157 0.000 1.244 230 F CB 0.305 39.234 39.000 -0.117 0.000 1.052 230 F HN 0.055 nan 8.300 nan 0.000 0.573 231 G N 2.070 110.761 108.800 -0.182 0.000 2.305 231 G HA2 -0.272 3.689 3.960 0.001 0.000 0.287 231 G HA3 -0.272 3.689 3.960 0.001 0.000 0.287 231 G C -0.040 174.745 174.900 -0.193 0.000 1.036 231 G CA -0.094 44.846 45.100 -0.267 0.000 0.887 231 G HN 0.209 nan 8.290 nan 0.000 0.505 232 I N 0.315 120.788 120.570 -0.162 0.000 2.392 232 I HA 0.329 4.499 4.170 0.001 0.000 0.295 232 I C -1.873 174.236 176.117 -0.014 0.000 0.985 232 I CA -2.851 58.409 61.300 -0.067 0.000 1.221 232 I CB 1.320 39.299 38.000 -0.035 0.000 1.366 232 I HN -0.149 nan 8.210 nan 0.000 0.467 233 P HA 0.088 nan 4.420 nan 0.000 0.269 233 P C 0.402 177.704 177.300 0.003 0.000 1.209 233 P CA 0.093 63.230 63.100 0.061 0.000 0.776 233 P CB 0.404 32.138 31.700 0.057 0.000 0.876 234 Y N 1.200 121.523 120.300 0.039 0.000 2.241 234 Y HA -0.269 4.281 4.550 0.000 0.000 0.286 234 Y C 2.055 177.952 175.900 -0.006 0.000 1.166 234 Y CA 1.805 59.892 58.100 -0.023 0.000 1.203 234 Y CB -0.643 37.744 38.460 -0.121 0.000 0.977 234 Y HN 0.436 nan 8.280 nan 0.000 0.529 235 D N -0.365 120.112 120.400 0.129 0.000 2.347 235 D HA -0.100 4.540 4.640 0.001 0.000 0.215 235 D C 1.143 177.469 176.300 0.044 0.000 0.976 235 D CA 0.737 54.782 54.000 0.075 0.000 0.884 235 D CB -0.345 40.488 40.800 0.054 0.000 0.915 235 D HN 0.249 nan 8.370 nan 0.000 0.526 236 R N -0.006 120.514 120.500 0.033 0.000 2.507 236 R HA 0.364 4.705 4.340 0.001 0.000 0.298 236 R C -0.075 176.222 176.300 -0.005 0.000 0.999 236 R CA -0.232 55.869 56.100 0.002 0.000 1.082 236 R CB 0.680 30.971 30.300 -0.014 0.000 1.246 236 R HN 0.227 nan 8.270 nan 0.000 0.553 237 I N 1.440 122.026 120.570 0.026 0.000 2.359 237 I HA 0.226 4.396 4.170 0.001 0.000 0.284 237 I C -0.725 175.417 176.117 0.043 0.000 1.018 237 I CA -0.688 60.632 61.300 0.032 0.000 1.173 237 I CB 1.451 39.489 38.000 0.064 0.000 1.326 237 I HN -0.173 nan 8.210 nan 0.000 0.462 238 D N 5.066 125.476 120.400 0.015 0.000 2.326 238 D HA 0.603 5.243 4.640 0.001 0.000 0.248 238 D C -0.554 175.759 176.300 0.021 0.000 1.001 238 D CA -0.287 53.723 54.000 0.017 0.000 0.961 238 D CB 2.645 43.442 40.800 -0.006 0.000 1.183 238 D HN 0.033 nan 8.370 nan 0.000 0.502 239 V N 1.016 120.948 119.914 0.031 0.000 2.604 239 V HA 0.546 4.667 4.120 0.001 0.000 0.305 239 V C -0.514 175.607 176.094 0.045 0.000 1.043 239 V CA -0.799 61.523 62.300 0.037 0.000 0.888 239 V CB 2.150 33.998 31.823 0.042 0.000 0.995 239 V HN 0.294 nan 8.190 nan 0.000 0.429 240 V N 5.301 125.253 119.914 0.064 0.000 2.735 240 V HA 0.623 4.743 4.120 0.001 0.000 0.310 240 V C -0.576 175.605 176.094 0.145 0.000 1.061 240 V CA -0.434 61.933 62.300 0.111 0.000 0.913 240 V CB 2.571 34.469 31.823 0.126 0.000 1.005 240 V HN 0.632 nan 8.190 nan 0.000 0.428 241 V N 5.571 125.569 119.914 0.141 0.000 2.498 241 V HA 0.401 4.521 4.120 0.001 0.000 0.279 241 V C -0.460 175.733 176.094 0.166 0.000 1.048 241 V CA -0.183 62.178 62.300 0.101 0.000 0.967 241 V CB 1.117 32.960 31.823 0.033 0.000 0.988 241 V HN 1.002 nan 8.190 nan 0.000 0.473 242 H N 6.648 125.691 119.070 -0.045 0.000 3.021 242 H HA 0.408 4.965 4.556 0.001 0.000 0.293 242 H C -2.500 172.721 175.328 -0.177 0.000 1.244 242 H CA -1.623 54.309 56.048 -0.192 0.000 1.596 242 H CB 2.021 31.646 29.762 -0.229 0.000 1.720 242 H HN 0.320 nan 8.280 nan 0.000 0.537 243 P HA -0.116 nan 4.420 nan 0.000 0.222 243 P C 1.010 178.074 177.300 -0.393 0.000 1.147 243 P CA 0.962 63.883 63.100 -0.298 0.000 0.790 243 P CB 0.493 32.086 31.700 -0.179 0.000 0.780 244 Q N -1.055 118.346 119.800 -0.665 0.000 2.245 244 Q HA 0.056 4.397 4.340 0.001 0.000 0.201 244 Q C 0.878 176.608 176.000 -0.449 0.000 0.955 244 Q CA 0.718 56.219 55.803 -0.505 0.000 0.870 244 Q CB -0.733 27.756 28.738 -0.415 0.000 0.945 244 Q HN -0.013 nan 8.270 nan 0.000 0.461 245 S N -0.676 114.667 115.700 -0.596 0.000 3.749 245 S HA -0.143 4.327 4.470 0.001 0.000 0.348 245 S C 0.573 175.007 174.600 -0.277 0.000 1.045 245 S CA 0.476 58.533 58.200 -0.238 0.000 1.051 245 S CB -1.265 61.872 63.200 -0.105 0.000 0.898 245 S HN 0.306 nan 8.310 nan 0.000 0.472 246 I N -0.281 120.087 120.570 -0.336 0.000 2.685 246 I HA 0.240 4.410 4.170 0.001 0.000 0.251 246 I C 1.277 176.846 176.117 -0.913 0.000 1.102 246 I CA 0.725 61.681 61.300 -0.573 0.000 1.442 246 I CB -0.446 37.140 38.000 -0.690 0.000 1.194 246 I HN 0.342 nan 8.210 nan 0.000 0.448 247 I N 2.310 122.429 120.570 -0.752 0.000 2.452 247 I HA -0.038 4.133 4.170 0.001 0.000 0.287 247 I C 1.493 177.338 176.117 -0.453 0.000 1.079 247 I CA 0.181 61.097 61.300 -0.640 0.000 1.387 247 I CB 0.556 38.224 38.000 -0.553 0.000 1.404 247 I HN 0.187 nan 8.210 nan 0.000 0.522 248 H N 3.821 122.839 119.070 -0.087 0.000 2.592 248 H HA 0.366 4.923 4.556 0.001 0.000 0.265 248 H C 0.186 175.488 175.328 -0.043 0.000 0.955 248 H CA 0.057 56.077 56.048 -0.047 0.000 1.175 248 H CB 0.780 30.515 29.762 -0.045 0.000 1.433 248 H HN 0.582 nan 8.280 nan 0.000 0.537 249 S N -0.490 115.224 115.700 0.024 0.000 2.719 249 S HA 0.322 4.793 4.470 0.001 0.000 0.272 249 S C -1.262 173.315 174.600 -0.039 0.000 0.964 249 S CA -0.795 57.398 58.200 -0.012 0.000 0.944 249 S CB 1.274 64.464 63.200 -0.016 0.000 1.199 249 S HN 0.103 nan 8.310 nan 0.000 0.461 250 M N 1.315 120.873 119.600 -0.070 0.000 2.575 250 M HA 0.683 5.163 4.480 0.001 0.000 0.284 250 M C -1.584 174.636 176.300 -0.134 0.000 1.253 250 M CA -0.845 54.403 55.300 -0.086 0.000 0.861 250 M CB 2.231 34.765 32.600 -0.111 0.000 1.733 250 M HN 0.354 nan 8.290 nan 0.000 0.462 251 V N 0.719 120.543 119.914 -0.150 0.000 2.531 251 V HA 0.470 4.591 4.120 0.001 0.000 0.301 251 V C -0.551 175.339 176.094 -0.339 0.000 1.034 251 V CA -0.595 61.517 62.300 -0.313 0.000 0.865 251 V CB 2.046 33.597 31.823 -0.452 0.000 0.995 251 V HN 0.895 nan 8.190 nan 0.000 0.424 252 T N 5.678 120.022 114.554 -0.350 0.000 2.767 252 T HA 0.645 4.995 4.350 0.001 0.000 0.288 252 T C -0.435 174.048 174.700 -0.361 0.000 0.963 252 T CA 0.034 61.997 62.100 -0.227 0.000 1.019 252 T CB 0.436 69.230 68.868 -0.125 0.000 0.923 252 T HN 0.281 nan 8.240 nan 0.000 0.468 253 F N 1.717 121.648 119.950 -0.032 0.000 2.408 253 F HA 0.404 4.930 4.527 -0.002 0.000 0.325 253 F C 1.948 177.736 175.800 -0.019 0.000 1.082 253 F CA -1.357 56.628 58.000 -0.024 0.000 1.032 253 F CB 0.568 39.556 39.000 -0.021 0.000 1.259 253 F HN 0.551 nan 8.300 nan 0.000 0.503 254 I N -1.364 119.318 120.570 0.187 0.000 2.530 254 I HA -0.218 3.952 4.170 0.001 0.000 0.257 254 I C 1.401 177.562 176.117 0.074 0.000 1.179 254 I CA 1.576 62.931 61.300 0.093 0.000 1.440 254 I CB -0.590 37.455 38.000 0.076 0.000 1.087 254 I HN 0.570 nan 8.210 nan 0.000 0.440 255 D N 0.968 121.423 120.400 0.091 0.000 2.348 255 D HA 0.118 4.759 4.640 0.001 0.000 0.211 255 D C 1.734 178.062 176.300 0.047 0.000 0.998 255 D CA 0.855 54.887 54.000 0.053 0.000 0.873 255 D CB 0.132 40.952 40.800 0.034 0.000 0.925 255 D HN 0.542 nan 8.370 nan 0.000 0.524 256 G N -0.526 108.312 108.800 0.064 0.000 2.184 256 G HA2 -0.222 3.738 3.960 0.001 0.000 0.206 256 G HA3 -0.222 3.738 3.960 0.001 0.000 0.206 256 G C 0.218 175.151 174.900 0.055 0.000 0.995 256 G CA 0.154 45.280 45.100 0.044 0.000 0.651 256 G HN 0.554 nan 8.290 nan 0.000 0.511 257 S N 0.646 116.403 115.700 0.095 0.000 2.545 257 S HA 0.641 5.112 4.470 0.001 0.000 0.275 257 S C 0.325 175.031 174.600 0.177 0.000 1.299 257 S CA 0.843 59.106 58.200 0.106 0.000 1.048 257 S CB 0.890 64.135 63.200 0.074 0.000 0.938 257 S HN 0.453 nan 8.310 nan 0.000 0.496 258 T N 5.833 120.454 114.554 0.111 0.000 2.807 258 T HA 0.520 4.871 4.350 0.001 0.000 0.279 258 T C -0.675 174.095 174.700 0.116 0.000 0.993 258 T CA -0.556 61.600 62.100 0.093 0.000 0.970 258 T CB 0.673 69.534 68.868 -0.011 0.000 0.950 258 T HN 0.472 nan 8.240 nan 0.000 0.441 259 I N 2.792 123.460 120.570 0.163 0.000 2.378 259 I HA 0.699 4.869 4.170 0.001 0.000 0.291 259 I C 0.143 176.306 176.117 0.077 0.000 0.992 259 I CA -0.914 60.475 61.300 0.149 0.000 1.154 259 I CB 1.109 39.261 38.000 0.253 0.000 1.315 259 I HN 0.709 nan 8.210 nan 0.000 0.448 260 A N 6.434 129.293 122.820 0.065 0.000 2.401 260 A HA 0.656 4.977 4.320 0.001 0.000 0.310 260 A C -0.789 176.825 177.584 0.049 0.000 1.075 260 A CA -0.589 51.468 52.037 0.033 0.000 0.746 260 A CB 2.370 21.385 19.000 0.025 0.000 1.277 260 A HN 0.652 nan 8.150 nan 0.000 0.425 261 Q N 0.820 120.637 119.800 0.028 0.000 2.293 261 Q HA 0.681 5.021 4.340 0.001 0.000 0.261 261 Q C -1.113 174.880 176.000 -0.011 0.000 0.960 261 Q CA -0.440 55.397 55.803 0.056 0.000 0.882 261 Q CB 1.832 30.630 28.738 0.099 0.000 1.275 261 Q HN 1.083 nan 8.270 nan 0.000 0.445 262 A N 2.619 125.439 122.820 -0.000 0.000 2.422 262 A HA 0.808 5.128 4.320 0.001 0.000 0.302 262 A C -1.208 176.383 177.584 0.012 0.000 1.041 262 A CA -0.237 51.706 52.037 -0.155 0.000 0.708 262 A CB 1.472 20.301 19.000 -0.286 0.000 1.257 262 A HN 0.838 nan 8.150 nan 0.000 0.414 263 S N 0.954 116.658 115.700 0.007 0.000 2.565 263 S HA 0.713 5.183 4.470 0.001 0.000 0.274 263 S C -3.479 171.198 174.600 0.128 0.000 1.144 263 S CA -1.222 57.049 58.200 0.118 0.000 0.849 263 S CB 1.168 64.472 63.200 0.173 0.000 1.103 263 S HN 0.349 nan 8.310 nan 0.000 0.455 264 P HA 0.286 nan 4.420 nan 0.000 0.265 264 P C -2.538 174.819 177.300 0.096 0.000 1.193 264 P CA -0.532 62.599 63.100 0.051 0.000 0.765 264 P CB -0.689 31.026 31.700 0.024 0.000 0.823 265 P HA -0.011 nan 4.420 nan 0.000 0.259 265 P C -0.554 176.755 177.300 0.015 0.000 1.163 265 P CA 1.220 64.365 63.100 0.075 0.000 0.760 265 P CB 0.139 31.867 31.700 0.048 0.000 0.762 266 D N 3.889 124.274 120.400 -0.025 0.000 2.219 266 D HA 0.032 4.673 4.640 0.001 0.000 0.191 266 D C 0.551 176.818 176.300 -0.056 0.000 1.272 266 D CA -0.313 53.672 54.000 -0.026 0.000 0.873 266 D CB 0.588 41.386 40.800 -0.003 0.000 1.730 266 D HN -0.016 nan 8.370 nan 0.000 0.519 267 M N 2.303 121.870 119.600 -0.055 0.000 2.549 267 M HA -0.004 4.477 4.480 0.001 0.000 0.260 267 M C 1.568 177.840 176.300 -0.046 0.000 1.076 267 M CA 0.857 56.118 55.300 -0.065 0.000 1.090 267 M CB -0.330 32.234 32.600 -0.060 0.000 1.418 267 M HN 0.389 nan 8.290 nan 0.000 0.486 268 K N -0.237 120.146 120.400 -0.028 0.000 2.211 268 K HA -0.144 4.176 4.320 0.001 0.000 0.203 268 K C 1.860 178.460 176.600 0.001 0.000 1.050 268 K CA 0.723 57.002 56.287 -0.012 0.000 0.945 268 K CB -0.209 32.292 32.500 0.001 0.000 0.732 268 K HN 0.157 nan 8.250 nan 0.000 0.451 269 L N 2.336 123.556 121.223 -0.004 0.000 1.955 269 L HA -0.130 4.210 4.340 0.001 0.000 0.213 269 L C -1.179 175.704 176.870 0.022 0.000 1.072 269 L CA 1.989 56.836 54.840 0.013 0.000 0.755 269 L CB -1.153 40.907 42.059 0.001 0.000 0.888 269 L HN 0.048 nan 8.230 nan 0.000 0.432 270 P HA -0.143 nan 4.420 nan 0.000 0.218 270 P C 2.172 179.483 177.300 0.018 0.000 1.149 270 P CA 1.665 64.770 63.100 0.009 0.000 0.817 270 P CB -0.030 31.645 31.700 -0.042 0.000 0.785 271 I N 0.842 121.406 120.570 -0.010 0.000 2.202 271 I HA -0.230 3.941 4.170 0.001 0.000 0.242 271 I C 2.785 178.889 176.117 -0.021 0.000 1.091 271 I CA 1.990 63.273 61.300 -0.028 0.000 1.368 271 I CB -0.819 37.150 38.000 -0.052 0.000 1.058 271 I HN 0.068 nan 8.210 nan 0.000 0.410 272 S N 1.159 116.865 115.700 0.010 0.000 2.368 272 S HA -0.206 4.264 4.470 0.001 0.000 0.225 272 S C 2.026 176.711 174.600 0.141 0.000 1.030 272 S CA 1.018 59.250 58.200 0.054 0.000 0.999 272 S CB -0.786 62.471 63.200 0.096 0.000 0.844 272 S HN 0.324 nan 8.310 nan 0.000 0.459 273 L N 2.160 123.479 121.223 0.158 0.000 2.056 273 L HA 0.263 4.604 4.340 0.001 0.000 0.207 273 L C 2.767 179.843 176.870 0.344 0.000 1.078 273 L CA 1.540 56.537 54.840 0.261 0.000 0.749 273 L CB -1.459 40.770 42.059 0.283 0.000 0.901 273 L HN 0.389 nan 8.230 nan 0.000 0.433 274 A N -0.631 122.308 122.820 0.199 0.000 1.908 274 A HA -0.185 4.135 4.320 0.001 0.000 0.218 274 A C 2.263 179.927 177.584 0.134 0.000 1.181 274 A CA 2.016 54.128 52.037 0.125 0.000 0.627 274 A CB -0.811 18.195 19.000 0.011 0.000 0.818 274 A HN 0.486 nan 8.150 nan 0.000 0.445 275 L N -1.233 120.032 121.223 0.070 0.000 2.056 275 L HA -0.064 4.276 4.340 0.001 0.000 0.207 275 L C 2.583 179.635 176.870 0.304 0.000 1.078 275 L CA 1.154 56.001 54.840 0.012 0.000 0.749 275 L CB -0.517 41.277 42.059 -0.442 0.000 0.901 275 L HN 0.498 nan 8.230 nan 0.000 0.433 276 G N -2.079 106.965 108.800 0.408 0.000 2.939 276 G HA2 -0.132 3.828 3.960 0.001 0.000 0.210 276 G HA3 -0.132 3.828 3.960 0.001 0.000 0.210 276 G C 0.441 175.497 174.900 0.261 0.000 1.160 276 G CA -0.540 44.806 45.100 0.410 0.000 0.770 276 G HN 0.210 nan 8.290 nan 0.000 0.543 277 W N 2.610 123.977 121.300 0.112 0.000 2.551 277 W HA -0.010 4.650 4.660 -0.000 0.000 0.336 277 W C -1.404 175.152 176.519 0.062 0.000 1.158 277 W CA -0.561 56.829 57.345 0.075 0.000 1.258 277 W CB 0.830 30.326 29.460 0.060 0.000 1.157 277 W HN 0.139 nan 8.180 nan 0.000 0.562 278 P HA 0.052 nan 4.420 nan 0.000 0.255 278 P C 0.123 177.080 177.300 -0.572 0.000 1.248 278 P CA 0.502 62.960 63.100 -1.070 0.000 0.807 278 P CB 0.163 31.377 31.700 -0.811 0.000 1.150 279 R N 1.276 121.630 120.500 -0.244 0.000 2.298 279 R HA 0.255 4.595 4.340 0.001 0.000 0.310 279 R C 0.557 176.819 176.300 -0.063 0.000 1.068 279 R CA -0.308 55.709 56.100 -0.138 0.000 0.957 279 R CB 0.736 30.987 30.300 -0.081 0.000 1.003 279 R HN 0.128 nan 8.270 nan 0.000 0.454 280 R N 1.400 121.864 120.500 -0.060 0.000 2.641 280 R HA 0.135 4.475 4.340 0.001 0.000 0.269 280 R C -0.344 175.977 176.300 0.034 0.000 1.074 280 R CA -0.310 55.794 56.100 0.006 0.000 1.133 280 R CB 0.676 30.976 30.300 -0.001 0.000 1.029 280 R HN 0.250 nan 8.270 nan 0.000 0.488 281 V N 2.172 122.133 119.914 0.078 0.000 2.318 281 V HA 0.040 4.160 4.120 0.001 0.000 0.271 281 V C 0.475 176.607 176.094 0.064 0.000 1.030 281 V CA -0.387 61.966 62.300 0.088 0.000 0.844 281 V CB 1.277 33.207 31.823 0.179 0.000 1.015 281 V HN 0.801 nan 8.190 nan 0.000 0.460 282 S N 4.470 120.192 115.700 0.038 0.000 2.575 282 S HA 0.299 4.770 4.470 0.001 0.000 0.295 282 S C 1.416 176.041 174.600 0.042 0.000 1.267 282 S CA 0.935 59.154 58.200 0.033 0.000 1.074 282 S CB -0.112 63.099 63.200 0.018 0.000 0.829 282 S HN 1.931 nan 8.310 nan 0.000 0.497 283 G N 3.350 112.175 108.800 0.041 0.000 2.153 283 G HA2 -0.264 3.697 3.960 0.001 0.000 0.252 283 G HA3 -0.264 3.697 3.960 0.001 0.000 0.252 283 G C 0.938 175.867 174.900 0.047 0.000 0.994 283 G CA 0.483 45.608 45.100 0.042 0.000 0.698 283 G HN 1.385 nan 8.290 nan 0.000 0.521 284 A N -0.919 121.934 122.820 0.055 0.000 1.940 284 A HA 0.557 4.878 4.320 0.001 0.000 0.219 284 A C 1.618 179.227 177.584 0.042 0.000 1.176 284 A CA 2.446 54.517 52.037 0.056 0.000 0.631 284 A CB -0.116 18.924 19.000 0.067 0.000 0.814 284 A HN 2.348 nan 8.150 nan 0.000 0.446 285 A N -2.635 120.209 122.820 0.040 0.000 2.593 285 A HA 0.709 5.030 4.320 0.001 0.000 0.290 285 A C -0.170 177.435 177.584 0.036 0.000 1.126 285 A CA -0.129 51.929 52.037 0.034 0.000 0.695 285 A CB 0.221 19.239 19.000 0.030 0.000 1.290 285 A HN 1.426 nan 8.150 nan 0.000 0.414 286 A N 0.187 123.026 122.820 0.031 0.000 2.388 286 A HA 0.655 4.976 4.320 0.001 0.000 0.257 286 A C 0.674 178.277 177.584 0.032 0.000 1.095 286 A CA 0.394 52.448 52.037 0.029 0.000 0.791 286 A CB -0.099 18.913 19.000 0.021 0.000 1.029 286 A HN 2.317 nan 8.150 nan 0.000 0.489 287 A N 1.025 123.865 122.820 0.033 0.000 2.287 287 A HA 0.470 4.791 4.320 0.001 0.000 0.273 287 A C 0.432 178.005 177.584 -0.018 0.000 1.091 287 A CA -0.327 51.730 52.037 0.034 0.000 0.817 287 A CB -0.103 18.931 19.000 0.056 0.000 1.069 287 A HN 1.000 nan 8.150 nan 0.000 0.492 288 C N 1.528 120.800 119.300 -0.047 0.000 2.590 288 C HA 0.201 4.662 4.460 0.001 0.000 0.411 288 C C 0.572 175.278 174.990 -0.475 0.000 1.420 288 C CA 0.451 59.321 59.018 -0.247 0.000 1.643 288 C CB -1.333 26.266 27.740 -0.235 0.000 2.528 288 C HN 0.832 nan 8.230 nan 0.000 0.606 289 D N 1.026 121.154 120.400 -0.455 0.000 2.233 289 D HA 0.392 5.032 4.640 0.001 0.000 0.240 289 D C -0.184 175.823 176.300 -0.488 0.000 1.074 289 D CA -0.484 53.321 54.000 -0.325 0.000 0.838 289 D CB 0.430 41.191 40.800 -0.065 0.000 1.124 289 D HN 0.486 nan 8.370 nan 0.000 0.475 290 F N 1.378 121.275 119.950 -0.089 0.000 2.639 290 F HA 0.207 4.735 4.527 0.003 0.000 0.302 290 F C 1.421 177.124 175.800 -0.163 0.000 1.097 290 F CA -0.293 57.629 58.000 -0.130 0.000 1.294 290 F CB 0.207 39.115 39.000 -0.153 0.000 1.027 290 F HN 0.516 nan 8.300 nan 0.000 0.550 291 H N -1.261 117.874 119.070 0.108 0.000 2.524 291 H HA -0.009 4.548 4.556 0.001 0.000 0.282 291 H C 1.193 176.550 175.328 0.048 0.000 1.016 291 H CA 1.165 57.255 56.048 0.070 0.000 1.270 291 H CB 0.244 30.032 29.762 0.044 0.000 1.394 291 H HN 0.029 nan 8.280 nan 0.000 0.568 292 T N -0.125 114.508 114.554 0.132 0.000 2.856 292 T HA 0.637 4.988 4.350 0.001 0.000 0.283 292 T C -0.278 174.455 174.700 0.055 0.000 1.008 292 T CA -0.779 61.369 62.100 0.079 0.000 0.997 292 T CB 1.014 69.918 68.868 0.060 0.000 0.992 292 T HN 0.284 nan 8.240 nan 0.000 0.454 293 A N 3.362 126.206 122.820 0.041 0.000 2.498 293 A HA 0.594 4.914 4.320 0.001 0.000 0.239 293 A C 0.624 178.218 177.584 0.017 0.000 1.068 293 A CA 0.145 52.196 52.037 0.024 0.000 0.766 293 A CB -0.343 18.665 19.000 0.013 0.000 1.003 293 A HN 1.497 nan 8.150 nan 0.000 0.497 294 S N 0.526 116.223 115.700 -0.005 0.000 2.625 294 S HA 0.821 5.291 4.470 0.001 0.000 0.271 294 S C -0.648 173.911 174.600 -0.068 0.000 1.161 294 S CA 0.028 58.225 58.200 -0.004 0.000 0.820 294 S CB 1.419 64.646 63.200 0.045 0.000 1.137 294 S HN 2.121 nan 8.310 nan 0.000 0.470 295 S N 0.457 116.148 115.700 -0.014 0.000 2.541 295 S HA 0.732 5.203 4.470 0.001 0.000 0.280 295 S C -1.838 172.863 174.600 0.168 0.000 1.112 295 S CA -0.711 57.470 58.200 -0.032 0.000 0.925 295 S CB 0.751 63.952 63.200 0.001 0.000 1.067 295 S HN 0.751 nan 8.310 nan 0.000 0.479 296 W N 1.949 123.268 121.300 0.031 0.000 2.314 296 W HA 0.517 5.177 4.660 0.001 0.000 0.310 296 W C 0.069 176.502 176.519 -0.143 0.000 1.075 296 W CA -1.055 56.292 57.345 0.003 0.000 1.253 296 W CB 0.222 29.706 29.460 0.040 0.000 1.238 296 W HN 0.754 nan 8.180 nan 0.000 0.440 297 E N 2.117 122.309 120.200 -0.013 0.000 2.191 297 E HA 0.616 4.966 4.350 0.001 0.000 0.274 297 E C -1.237 175.167 176.600 -0.326 0.000 0.948 297 E CA -0.767 55.581 56.400 -0.087 0.000 0.802 297 E CB 1.744 31.434 29.700 -0.017 0.000 1.137 297 E HN 0.071 nan 8.360 nan 0.000 0.397 298 F N 1.310 121.365 119.950 0.174 0.000 2.551 298 F HA 0.348 4.875 4.527 0.001 0.000 0.316 298 F C -0.022 175.831 175.800 0.087 0.000 1.089 298 F CA -0.818 57.258 58.000 0.126 0.000 0.915 298 F CB 1.913 40.959 39.000 0.077 0.000 1.186 298 F HN 0.375 nan 8.300 nan 0.000 0.456 299 E N 2.173 122.524 120.200 0.253 0.000 2.372 299 E HA 0.495 4.845 4.350 0.001 0.000 0.279 299 E C -3.304 173.379 176.600 0.138 0.000 0.946 299 E CA -2.398 54.099 56.400 0.162 0.000 0.769 299 E CB 2.619 32.389 29.700 0.117 0.000 1.230 299 E HN 0.149 nan 8.360 nan 0.000 0.442 300 P HA 0.032 nan 4.420 nan 0.000 0.269 300 P C -0.462 176.895 177.300 0.095 0.000 1.215 300 P CA -0.537 62.619 63.100 0.094 0.000 0.780 300 P CB 0.626 32.376 31.700 0.083 0.000 0.898 301 L N 2.358 123.633 121.223 0.087 0.000 2.331 301 L HA 0.235 4.576 4.340 0.001 0.000 0.278 301 L C 0.262 177.218 176.870 0.143 0.000 1.106 301 L CA -0.008 54.889 54.840 0.095 0.000 0.824 301 L CB -0.141 41.960 42.059 0.069 0.000 1.142 301 L HN 0.217 nan 8.230 nan 0.000 0.443 302 D N 2.601 123.130 120.400 0.215 0.000 2.416 302 D HA 0.012 4.652 4.640 0.001 0.000 0.240 302 D C 1.160 177.613 176.300 0.256 0.000 1.250 302 D CA 0.490 54.630 54.000 0.234 0.000 0.967 302 D CB 0.784 41.754 40.800 0.284 0.000 1.059 302 D HN 0.756 nan 8.370 nan 0.000 0.512 303 T N -0.160 114.494 114.554 0.166 0.000 3.085 303 T HA -0.088 4.263 4.350 0.001 0.000 0.263 303 T C 1.118 175.878 174.700 0.101 0.000 1.127 303 T CA 0.405 62.592 62.100 0.145 0.000 1.103 303 T CB 0.205 69.134 68.868 0.102 0.000 0.921 303 T HN 0.164 nan 8.240 nan 0.000 0.510 304 D N 1.126 121.572 120.400 0.076 0.000 2.183 304 D HA 0.011 4.652 4.640 0.001 0.000 0.203 304 D C 2.115 178.404 176.300 -0.018 0.000 0.969 304 D CA 0.740 54.759 54.000 0.031 0.000 0.842 304 D CB 0.112 40.928 40.800 0.027 0.000 0.957 304 D HN 0.366 nan 8.370 nan 0.000 0.484 305 V N -0.258 119.630 119.914 -0.042 0.000 2.825 305 V HA -0.007 4.113 4.120 0.001 0.000 0.246 305 V C 0.512 176.321 176.094 -0.476 0.000 1.068 305 V CA 0.732 62.870 62.300 -0.270 0.000 1.088 305 V CB -0.061 31.565 31.823 -0.327 0.000 0.733 305 V HN 0.002 nan 8.190 nan 0.000 0.468 306 F N 1.704 121.691 119.950 0.061 0.000 2.449 306 F HA 0.412 4.939 4.527 0.000 0.000 0.344 306 F C -1.855 173.969 175.800 0.040 0.000 1.180 306 F CA -1.812 56.220 58.000 0.053 0.000 1.209 306 F CB 1.094 40.138 39.000 0.074 0.000 1.440 306 F HN 0.058 nan 8.300 nan 0.000 0.526 307 P HA 0.070 nan 4.420 nan 0.000 0.255 307 P C 1.160 178.526 177.300 0.109 0.000 1.301 307 P CA 0.406 63.566 63.100 0.100 0.000 0.817 307 P CB 0.396 32.127 31.700 0.052 0.000 1.259 308 A N 0.181 123.084 122.820 0.139 0.000 2.015 308 A HA -0.070 4.250 4.320 0.001 0.000 0.219 308 A C 2.147 179.836 177.584 0.175 0.000 1.163 308 A CA 1.402 53.536 52.037 0.162 0.000 0.646 308 A CB -1.265 17.823 19.000 0.146 0.000 0.806 308 A HN 0.113 nan 8.150 nan 0.000 0.448 309 V N 0.042 120.027 119.914 0.119 0.000 2.407 309 V HA -0.132 3.988 4.120 0.001 0.000 0.245 309 V C 2.386 178.489 176.094 0.016 0.000 1.041 309 V CA 1.650 63.990 62.300 0.067 0.000 1.040 309 V CB -0.655 31.209 31.823 0.069 0.000 0.671 309 V HN 0.487 nan 8.190 nan 0.000 0.455 310 E N 0.484 120.706 120.200 0.037 0.000 2.118 310 E HA -0.200 4.151 4.350 0.001 0.000 0.195 310 E C 2.218 178.803 176.600 -0.024 0.000 0.992 310 E CA 1.218 57.625 56.400 0.010 0.000 0.804 310 E CB -0.345 29.377 29.700 0.037 0.000 0.741 310 E HN 0.497 nan 8.360 nan 0.000 0.458 311 L N 0.455 121.689 121.223 0.018 0.000 2.093 311 L HA -0.121 4.219 4.340 0.001 0.000 0.208 311 L C 2.540 179.301 176.870 -0.181 0.000 1.085 311 L CA 1.000 55.857 54.840 0.029 0.000 0.755 311 L CB -0.444 41.727 42.059 0.187 0.000 0.904 311 L HN 0.064 nan 8.230 nan 0.000 0.435 312 A N 0.078 122.676 122.820 -0.369 0.000 1.933 312 A HA -0.209 4.111 4.320 0.001 0.000 0.218 312 A C 2.367 179.600 177.584 -0.586 0.000 1.175 312 A CA 1.464 53.029 52.037 -0.787 0.000 0.628 312 A CB -0.438 18.222 19.000 -0.565 0.000 0.814 312 A HN 0.333 nan 8.150 nan 0.000 0.444 313 R N -0.713 119.527 120.500 -0.434 0.000 2.075 313 R HA -0.134 4.207 4.340 0.001 0.000 0.232 313 R C 2.448 178.420 176.300 -0.548 0.000 1.126 313 R CA 1.570 57.308 56.100 -0.603 0.000 0.963 313 R CB -0.368 29.772 30.300 -0.268 0.000 0.858 313 R HN 0.691 nan 8.270 nan 0.000 0.435 314 Q N 0.253 119.873 119.800 -0.299 0.000 2.084 314 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 314 Q C 2.228 178.104 176.000 -0.206 0.000 0.978 314 Q CA 1.714 57.406 55.803 -0.185 0.000 0.844 314 Q CB -0.173 28.535 28.738 -0.049 0.000 0.898 314 Q HN 0.361 nan 8.270 nan 0.000 0.426 315 A N 0.785 123.457 122.820 -0.246 0.000 1.902 315 A HA -0.101 4.219 4.320 0.001 0.000 0.217 315 A C 2.286 179.716 177.584 -0.257 0.000 1.181 315 A CA 1.620 53.537 52.037 -0.199 0.000 0.623 315 A CB -1.164 17.711 19.000 -0.208 0.000 0.818 315 A HN 0.484 nan 8.150 nan 0.000 0.443 316 G N -0.680 107.827 108.800 -0.487 0.000 2.402 316 G HA2 -0.079 3.882 3.960 0.001 0.000 0.216 316 G HA3 -0.079 3.882 3.960 0.001 0.000 0.216 316 G C 1.491 176.177 174.900 -0.356 0.000 1.162 316 G CA 1.198 45.981 45.100 -0.528 0.000 0.777 316 G HN 0.309 nan 8.290 nan 0.000 0.539 317 V N 1.528 121.165 119.914 -0.461 0.000 2.358 317 V HA -0.101 4.019 4.120 0.001 0.000 0.246 317 V C 3.318 179.365 176.094 -0.080 0.000 1.047 317 V CA 1.874 64.075 62.300 -0.165 0.000 1.035 317 V CB -0.782 30.953 31.823 -0.146 0.000 0.658 317 V HN 0.470 nan 8.190 nan 0.000 0.452 318 A N -0.701 122.062 122.820 -0.096 0.000 1.883 318 A HA 0.213 4.533 4.320 0.001 0.000 0.217 318 A C 1.675 179.249 177.584 -0.017 0.000 1.186 318 A CA 1.920 53.932 52.037 -0.042 0.000 0.624 318 A CB -1.004 17.978 19.000 -0.031 0.000 0.822 318 A HN 1.303 nan 8.150 nan 0.000 0.444 319 G N -3.407 105.381 108.800 -0.019 0.000 2.681 319 G HA2 0.324 4.284 3.960 0.001 0.000 0.220 319 G HA3 0.324 4.284 3.960 0.001 0.000 0.220 319 G C 1.125 176.045 174.900 0.032 0.000 1.353 319 G CA 0.541 45.653 45.100 0.019 0.000 0.872 319 G HN 2.368 nan 8.290 nan 0.000 0.557 320 G N -1.923 106.903 108.800 0.044 0.000 2.565 320 G HA2 -0.168 3.793 3.960 0.001 0.000 0.295 320 G HA3 -0.168 3.793 3.960 0.001 0.000 0.295 320 G C 1.338 176.275 174.900 0.060 0.000 1.165 320 G CA 1.711 46.843 45.100 0.053 0.000 0.977 320 G HN 2.215 nan 8.290 nan 0.000 0.546 321 C N 1.626 120.980 119.300 0.091 0.000 2.780 321 C HA 0.433 4.893 4.460 0.001 0.000 0.287 321 C C 2.686 177.708 174.990 0.052 0.000 1.288 321 C CA 0.641 59.701 59.018 0.069 0.000 1.713 321 C CB -1.099 26.701 27.740 0.101 0.000 1.955 321 C HN 0.509 nan 8.230 nan 0.000 0.613 322 M N 1.597 121.236 119.600 0.065 0.000 2.229 322 M HA -0.075 4.405 4.480 0.001 0.000 0.264 322 M C 2.422 178.753 176.300 0.051 0.000 1.063 322 M CA 1.846 57.182 55.300 0.061 0.000 1.114 322 M CB -1.719 30.905 32.600 0.040 0.000 1.387 322 M HN 0.646 nan 8.290 nan 0.000 0.420 323 T N -1.542 113.028 114.554 0.026 0.000 2.951 323 T HA 0.112 4.462 4.350 0.001 0.000 0.268 323 T C 1.908 176.661 174.700 0.089 0.000 1.073 323 T CA 1.058 63.180 62.100 0.037 0.000 1.134 323 T CB -0.390 68.476 68.868 -0.003 0.000 0.884 323 T HN 0.290 nan 8.240 nan 0.000 0.479 324 A N 1.175 124.017 122.820 0.037 0.000 1.930 324 A HA 0.136 4.456 4.320 0.001 0.000 0.217 324 A C 2.563 180.145 177.584 -0.005 0.000 1.175 324 A CA 1.305 53.343 52.037 0.002 0.000 0.627 324 A CB -0.980 17.987 19.000 -0.054 0.000 0.815 324 A HN 0.405 nan 8.150 nan 0.000 0.443 325 V N -1.307 118.607 119.914 0.000 0.000 2.295 325 V HA -0.289 3.831 4.120 0.001 0.000 0.246 325 V C 2.325 178.470 176.094 0.086 0.000 1.049 325 V CA 2.102 64.419 62.300 0.029 0.000 1.024 325 V CB -1.080 30.782 31.823 0.065 0.000 0.648 325 V HN 0.724 nan 8.190 nan 0.000 0.447 326 Y N 1.883 122.177 120.300 -0.010 0.000 2.081 326 Y HA -0.346 4.205 4.550 0.001 0.000 0.280 326 Y C 2.536 178.422 175.900 -0.023 0.000 1.163 326 Y CA 2.520 60.609 58.100 -0.018 0.000 1.135 326 Y CB -0.410 38.034 38.460 -0.025 0.000 0.970 326 Y HN 0.379 nan 8.280 nan 0.000 0.498 327 N N 0.153 118.905 118.700 0.088 0.000 2.142 327 N HA -0.135 4.606 4.740 0.001 0.000 0.186 327 N C 1.796 177.265 175.510 -0.068 0.000 1.023 327 N CA 1.553 54.598 53.050 -0.007 0.000 0.852 327 N CB -0.542 37.992 38.487 0.079 0.000 0.998 327 N HN 0.472 nan 8.380 nan 0.000 0.424 328 A N 0.095 122.887 122.820 -0.046 0.000 1.930 328 A HA 0.165 4.486 4.320 0.001 0.000 0.217 328 A C 2.290 179.829 177.584 -0.076 0.000 1.175 328 A CA 1.575 53.578 52.037 -0.056 0.000 0.627 328 A CB -1.038 17.930 19.000 -0.052 0.000 0.815 328 A HN 0.418 nan 8.150 nan 0.000 0.443 329 A N 0.573 123.340 122.820 -0.088 0.000 1.902 329 A HA -0.213 4.107 4.320 0.001 0.000 0.217 329 A C 1.947 179.438 177.584 -0.155 0.000 1.181 329 A CA 2.058 54.029 52.037 -0.111 0.000 0.623 329 A CB -0.790 18.149 19.000 -0.101 0.000 0.818 329 A HN 0.650 nan 8.150 nan 0.000 0.443 330 N N -0.200 118.365 118.700 -0.226 0.000 2.043 330 N HA -0.224 4.516 4.740 0.001 0.000 0.193 330 N C 1.669 177.103 175.510 -0.126 0.000 1.037 330 N CA 2.109 55.024 53.050 -0.225 0.000 0.851 330 N CB -0.315 37.990 38.487 -0.304 0.000 1.027 330 N HN 0.571 nan 8.380 nan 0.000 0.422 331 E N -0.624 119.518 120.200 -0.097 0.000 2.153 331 E HA -0.205 4.145 4.350 0.001 0.000 0.194 331 E C 1.583 178.157 176.600 -0.044 0.000 0.988 331 E CA 1.048 57.414 56.400 -0.056 0.000 0.811 331 E CB -0.043 29.630 29.700 -0.045 0.000 0.746 331 E HN 0.408 nan 8.360 nan 0.000 0.466 332 E N -0.150 120.016 120.200 -0.058 0.000 2.051 332 E HA -0.027 4.323 4.350 0.001 0.000 0.189 332 E C 1.764 178.341 176.600 -0.039 0.000 0.979 332 E CA 1.262 57.633 56.400 -0.049 0.000 0.803 332 E CB -0.293 29.370 29.700 -0.063 0.000 0.761 332 E HN 0.237 nan 8.360 nan 0.000 0.451 333 A N 0.896 123.682 122.820 -0.057 0.000 1.902 333 A HA -0.052 4.268 4.320 0.001 0.000 0.217 333 A C 2.421 180.008 177.584 0.004 0.000 1.181 333 A CA 2.138 54.147 52.037 -0.046 0.000 0.623 333 A CB -1.031 17.913 19.000 -0.095 0.000 0.818 333 A HN 0.370 nan 8.150 nan 0.000 0.443 334 A N -0.214 122.603 122.820 -0.005 0.000 1.898 334 A HA 0.205 4.525 4.320 0.001 0.000 0.216 334 A C 2.482 180.139 177.584 0.123 0.000 1.181 334 A CA 1.927 54.005 52.037 0.068 0.000 0.620 334 A CB -0.972 18.045 19.000 0.028 0.000 0.819 334 A HN 1.067 nan 8.150 nan 0.000 0.442 335 A N -0.213 122.639 122.820 0.053 0.000 1.972 335 A HA 0.181 4.501 4.320 0.001 0.000 0.219 335 A C 2.420 180.023 177.584 0.031 0.000 1.169 335 A CA 1.931 53.989 52.037 0.035 0.000 0.635 335 A CB -0.801 18.202 19.000 0.006 0.000 0.810 335 A HN 0.981 nan 8.150 nan 0.000 0.446 336 A N -1.027 121.818 122.820 0.041 0.000 1.897 336 A HA 0.040 4.360 4.320 0.001 0.000 0.215 336 A C 1.999 179.626 177.584 0.070 0.000 1.181 336 A CA 1.439 53.498 52.037 0.035 0.000 0.620 336 A CB -0.679 18.336 19.000 0.025 0.000 0.821 336 A HN 0.735 nan 8.150 nan 0.000 0.443 337 F N 0.837 120.784 119.950 -0.004 0.000 2.102 337 F HA -0.131 4.396 4.527 0.001 0.000 0.298 337 F C 1.763 177.585 175.800 0.036 0.000 1.105 337 F CA 1.651 59.667 58.000 0.026 0.000 1.239 337 F CB -0.363 38.670 39.000 0.054 0.000 0.991 337 F HN 0.123 nan 8.300 nan 0.000 0.474 338 L N 0.027 121.148 121.223 -0.170 0.000 2.265 338 L HA -0.159 4.181 4.340 0.001 0.000 0.215 338 L C 2.373 179.115 176.870 -0.213 0.000 1.117 338 L CA 1.046 55.736 54.840 -0.250 0.000 0.782 338 L CB -0.923 41.107 42.059 -0.048 0.000 0.914 338 L HN 0.339 nan 8.230 nan 0.000 0.441 339 A N -1.023 121.712 122.820 -0.141 0.000 2.308 339 A HA 0.382 4.703 4.320 0.001 0.000 0.217 339 A C 1.665 179.186 177.584 -0.105 0.000 1.216 339 A CA 0.605 52.582 52.037 -0.099 0.000 0.864 339 A CB -0.006 18.962 19.000 -0.054 0.000 0.902 339 A HN 0.460 nan 8.150 nan 0.000 0.499 340 G N -0.358 108.350 108.800 -0.155 0.000 2.159 340 G HA2 -0.285 3.676 3.960 0.001 0.000 0.256 340 G HA3 -0.285 3.676 3.960 0.001 0.000 0.256 340 G C 0.992 175.866 174.900 -0.042 0.000 0.977 340 G CA 0.575 45.605 45.100 -0.116 0.000 0.652 340 G HN 0.520 nan 8.290 nan 0.000 0.531 341 R N -0.267 120.220 120.500 -0.022 0.000 2.200 341 R HA 0.364 4.705 4.340 0.001 0.000 0.208 341 R C 1.503 177.821 176.300 0.030 0.000 1.033 341 R CA 1.392 57.493 56.100 0.002 0.000 1.000 341 R CB 0.054 30.352 30.300 -0.004 0.000 0.906 341 R HN 0.777 nan 8.270 nan 0.000 0.462 342 I N -4.516 116.099 120.570 0.075 0.000 3.074 342 I HA 0.616 4.787 4.170 0.001 0.000 0.310 342 I C -0.141 176.116 176.117 0.234 0.000 1.153 342 I CA -1.428 59.939 61.300 0.111 0.000 0.993 342 I CB 1.909 39.959 38.000 0.084 0.000 1.237 342 I HN -0.179 nan 8.210 nan 0.000 0.443 343 G N 0.696 109.615 108.800 0.197 0.000 2.477 343 G HA2 0.320 4.281 3.960 0.001 0.000 0.304 343 G HA3 0.320 4.281 3.960 0.001 0.000 0.304 343 G C -0.128 174.874 174.900 0.170 0.000 1.175 343 G CA -0.518 44.750 45.100 0.279 0.000 0.907 343 G HN 0.763 nan 8.290 nan 0.000 0.509 344 F N 1.764 121.628 119.950 -0.144 0.000 2.091 344 F HA -0.041 4.487 4.527 0.000 0.000 0.299 344 F C -0.039 175.553 175.800 -0.346 0.000 1.103 344 F CA 1.639 59.259 58.000 -0.634 0.000 1.228 344 F CB -0.495 38.116 39.000 -0.649 0.000 0.984 344 F HN 0.307 nan 8.300 nan 0.000 0.477 345 P HA -0.056 nan 4.420 nan 0.000 0.226 345 P C 1.137 178.287 177.300 -0.249 0.000 1.153 345 P CA 1.612 64.557 63.100 -0.259 0.000 0.777 345 P CB -0.299 31.326 31.700 -0.124 0.000 0.794 346 A N -0.955 121.749 122.820 -0.194 0.000 2.119 346 A HA -0.044 4.277 4.320 0.001 0.000 0.216 346 A C 1.988 179.465 177.584 -0.179 0.000 1.152 346 A CA 0.582 52.535 52.037 -0.141 0.000 0.708 346 A CB -1.277 17.684 19.000 -0.066 0.000 0.805 346 A HN 0.114 nan 8.150 nan 0.000 0.460 347 I N -0.527 119.875 120.570 -0.279 0.000 2.113 347 I HA -0.221 3.949 4.170 0.001 0.000 0.238 347 I C 2.172 178.139 176.117 -0.249 0.000 1.070 347 I CA 1.394 62.530 61.300 -0.273 0.000 1.332 347 I CB -0.365 37.401 38.000 -0.390 0.000 1.044 347 I HN 0.139 nan 8.210 nan 0.000 0.402 348 V N 0.923 120.671 119.914 -0.277 0.000 2.719 348 V HA -0.066 4.055 4.120 0.001 0.000 0.252 348 V C 2.499 178.499 176.094 -0.156 0.000 1.065 348 V CA 1.634 63.813 62.300 -0.202 0.000 1.086 348 V CB -1.052 30.671 31.823 -0.167 0.000 0.700 348 V HN 0.568 nan 8.190 nan 0.000 0.467 349 G N 0.244 108.951 108.800 -0.155 0.000 2.418 349 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 349 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 349 G C 1.564 176.395 174.900 -0.114 0.000 1.158 349 G CA 0.958 45.989 45.100 -0.116 0.000 0.771 349 G HN 0.495 nan 8.290 nan 0.000 0.545 350 I N 0.316 120.812 120.570 -0.123 0.000 2.406 350 I HA -0.008 4.162 4.170 0.001 0.000 0.249 350 I C 2.585 178.624 176.117 -0.129 0.000 1.122 350 I CA 0.314 61.547 61.300 -0.112 0.000 1.431 350 I CB -0.105 37.834 38.000 -0.101 0.000 1.087 350 I HN 0.129 nan 8.210 nan 0.000 0.424 351 I N 0.992 121.466 120.570 -0.159 0.000 2.151 351 I HA -0.368 3.803 4.170 0.001 0.000 0.243 351 I C 2.792 178.813 176.117 -0.160 0.000 1.080 351 I CA 1.668 62.863 61.300 -0.176 0.000 1.339 351 I CB -0.498 37.349 38.000 -0.255 0.000 1.039 351 I HN 0.215 nan 8.210 nan 0.000 0.409 352 A N 0.345 123.042 122.820 -0.205 0.000 1.877 352 A HA -0.231 4.090 4.320 0.001 0.000 0.216 352 A C 1.961 179.197 177.584 -0.580 0.000 1.186 352 A CA 2.063 53.850 52.037 -0.416 0.000 0.620 352 A CB -0.586 18.239 19.000 -0.292 0.000 0.822 352 A HN 0.363 nan 8.150 nan 0.000 0.443 353 D N -0.368 119.882 120.400 -0.250 0.000 2.178 353 D HA -0.081 4.560 4.640 0.001 0.000 0.202 353 D C 2.045 178.332 176.300 -0.021 0.000 0.974 353 D CA 1.324 55.266 54.000 -0.098 0.000 0.841 353 D CB -0.283 40.491 40.800 -0.044 0.000 0.953 353 D HN 0.246 nan 8.370 nan 0.000 0.478 354 V N 0.995 120.891 119.914 -0.029 0.000 2.346 354 V HA -0.133 3.987 4.120 0.001 0.000 0.244 354 V C 2.666 178.883 176.094 0.204 0.000 1.037 354 V CA 0.753 63.103 62.300 0.083 0.000 1.029 354 V CB -0.331 31.510 31.823 0.030 0.000 0.663 354 V HN 0.201 nan 8.190 nan 0.000 0.454 355 L N -0.382 120.890 121.223 0.082 0.000 2.043 355 L HA -0.237 4.104 4.340 0.001 0.000 0.212 355 L C 2.679 179.680 176.870 0.218 0.000 1.075 355 L CA 1.738 56.654 54.840 0.126 0.000 0.752 355 L CB -0.702 41.384 42.059 0.045 0.000 0.891 355 L HN 0.467 nan 8.230 nan 0.000 0.432 356 H N -0.985 118.156 119.070 0.118 0.000 2.524 356 H HA 0.043 4.599 4.556 0.000 0.000 0.282 356 H C 1.751 177.146 175.328 0.113 0.000 1.016 356 H CA 0.845 56.947 56.048 0.089 0.000 1.270 356 H CB -0.022 29.777 29.762 0.061 0.000 1.394 356 H HN 0.319 nan 8.280 nan 0.000 0.568 357 A N -0.090 122.908 122.820 0.296 0.000 2.387 357 A HA 0.508 4.828 4.320 0.001 0.000 0.234 357 A C 1.823 179.619 177.584 0.353 0.000 1.253 357 A CA 0.481 52.706 52.037 0.313 0.000 0.894 357 A CB 0.050 19.255 19.000 0.341 0.000 0.963 357 A HN 0.287 nan 8.150 nan 0.000 0.508 358 A N -0.597 122.370 122.820 0.245 0.000 2.465 358 A HA 0.250 4.571 4.320 0.001 0.000 0.255 358 A C 0.914 178.460 177.584 -0.065 0.000 1.274 358 A CA 0.340 52.398 52.037 0.035 0.000 0.920 358 A CB -0.168 18.948 19.000 0.193 0.000 1.033 358 A HN 0.238 nan 8.150 nan 0.000 0.516 359 D N 1.069 121.442 120.400 -0.046 0.000 2.265 359 D HA -0.228 4.412 4.640 0.001 0.000 0.208 359 D C 2.244 178.436 176.300 -0.180 0.000 0.977 359 D CA 1.616 55.573 54.000 -0.071 0.000 0.871 359 D CB -0.154 40.620 40.800 -0.043 0.000 0.925 359 D HN 0.855 nan 8.370 nan 0.000 0.485 360 Q N -0.755 118.832 119.800 -0.354 0.000 2.297 360 Q HA -0.176 4.164 4.340 0.001 0.000 0.208 360 Q C 1.284 176.883 176.000 -0.667 0.000 0.981 360 Q CA 1.043 56.505 55.803 -0.568 0.000 0.876 360 Q CB -0.716 27.535 28.738 -0.812 0.000 0.921 360 Q HN 0.433 nan 8.270 nan 0.000 0.446 361 W N 0.179 121.316 121.300 -0.272 0.000 3.290 361 W HA 0.445 5.105 4.660 0.000 0.000 0.287 361 W C 1.925 178.370 176.519 -0.124 0.000 1.288 361 W CA -0.076 57.140 57.345 -0.214 0.000 1.725 361 W CB 0.368 29.670 29.460 -0.264 0.000 1.103 361 W HN 0.226 nan 8.180 nan 0.000 0.670 362 A N 0.115 122.953 122.820 0.031 0.000 2.168 362 A HA 0.037 4.358 4.320 0.001 0.000 0.215 362 A C 0.984 178.577 177.584 0.016 0.000 1.152 362 A CA 0.488 52.538 52.037 0.023 0.000 0.716 362 A CB -0.656 18.337 19.000 -0.010 0.000 0.794 362 A HN -0.032 nan 8.150 nan 0.000 0.465 363 V N 1.614 121.528 119.914 0.000 0.000 2.872 363 V HA 0.018 4.138 4.120 0.001 0.000 0.307 363 V C 0.422 176.541 176.094 0.041 0.000 1.072 363 V CA -0.413 61.888 62.300 0.002 0.000 1.148 363 V CB 0.477 32.280 31.823 -0.034 0.000 0.954 363 V HN 0.434 nan 8.190 nan 0.000 0.490 364 E N 4.742 124.959 120.200 0.029 0.000 2.360 364 E HA 0.226 4.577 4.350 0.001 0.000 0.269 364 E C -2.187 174.440 176.600 0.044 0.000 1.022 364 E CA -1.570 54.852 56.400 0.036 0.000 0.887 364 E CB 0.558 30.271 29.700 0.023 0.000 0.990 364 E HN 0.492 nan 8.360 nan 0.000 0.426 365 P HA 0.122 nan 4.420 nan 0.000 0.275 365 P C -0.339 176.980 177.300 0.032 0.000 1.227 365 P CA -0.089 63.041 63.100 0.051 0.000 0.781 365 P CB 1.248 32.974 31.700 0.044 0.000 0.906 366 A N 2.769 125.608 122.820 0.032 0.000 2.014 366 A HA 0.218 4.539 4.320 0.001 0.000 0.210 366 A C 0.996 178.590 177.584 0.017 0.000 1.188 366 A CA 1.287 53.336 52.037 0.020 0.000 0.731 366 A CB -0.439 18.572 19.000 0.018 0.000 0.858 366 A HN 0.660 nan 8.150 nan 0.000 0.464 367 T N -5.296 109.272 114.554 0.022 0.000 2.865 367 T HA 0.454 4.805 4.350 0.001 0.000 0.294 367 T C 0.780 175.489 174.700 0.015 0.000 1.119 367 T CA 0.105 62.215 62.100 0.017 0.000 1.007 367 T CB 1.248 70.128 68.868 0.019 0.000 1.225 367 T HN 0.035 nan 8.240 nan 0.000 0.515 368 V N 1.067 120.986 119.914 0.007 0.000 2.380 368 V HA -0.157 3.964 4.120 0.001 0.000 0.251 368 V C 2.339 178.435 176.094 0.004 0.000 1.063 368 V CA 2.222 64.522 62.300 0.001 0.000 1.055 368 V CB -0.820 31.001 31.823 -0.003 0.000 0.657 368 V HN 0.882 nan 8.190 nan 0.000 0.455 369 D N -0.248 120.161 120.400 0.014 0.000 2.144 369 D HA -0.141 4.499 4.640 0.001 0.000 0.199 369 D C 1.937 178.259 176.300 0.036 0.000 0.984 369 D CA 1.134 55.147 54.000 0.022 0.000 0.834 369 D CB -0.326 40.492 40.800 0.030 0.000 0.955 369 D HN 0.416 nan 8.370 nan 0.000 0.465 370 D N 0.076 120.508 120.400 0.053 0.000 2.106 370 D HA -0.126 4.514 4.640 0.001 0.000 0.191 370 D C 2.291 178.612 176.300 0.035 0.000 0.997 370 D CA 0.624 54.682 54.000 0.097 0.000 0.834 370 D CB -0.360 40.501 40.800 0.102 0.000 0.956 370 D HN 0.074 nan 8.370 nan 0.000 0.448 371 V N 1.029 120.941 119.914 -0.004 0.000 2.332 371 V HA -0.224 3.896 4.120 0.001 0.000 0.248 371 V C 2.663 178.692 176.094 -0.108 0.000 1.055 371 V CA 1.189 63.454 62.300 -0.058 0.000 1.038 371 V CB -0.488 31.315 31.823 -0.033 0.000 0.651 371 V HN 0.202 nan 8.190 nan 0.000 0.450 372 L N -0.281 120.903 121.223 -0.065 0.000 2.083 372 L HA -0.172 4.169 4.340 0.001 0.000 0.209 372 L C 2.323 179.139 176.870 -0.090 0.000 1.083 372 L CA 1.408 56.209 54.840 -0.064 0.000 0.752 372 L CB -0.722 41.322 42.059 -0.026 0.000 0.899 372 L HN 0.332 nan 8.230 nan 0.000 0.433 373 D N 0.276 120.627 120.400 -0.081 0.000 2.117 373 D HA -0.151 4.489 4.640 0.001 0.000 0.197 373 D C 2.251 178.284 176.300 -0.445 0.000 0.987 373 D CA 1.483 55.440 54.000 -0.072 0.000 0.829 373 D CB -0.061 40.830 40.800 0.152 0.000 0.961 373 D HN 0.299 nan 8.370 nan 0.000 0.460 374 A N 0.688 122.967 122.820 -0.901 0.000 1.898 374 A HA -0.223 4.098 4.320 0.001 0.000 0.216 374 A C 2.098 179.282 177.584 -0.667 0.000 1.181 374 A CA 1.424 52.528 52.037 -1.555 0.000 0.620 374 A CB -0.611 17.688 19.000 -1.168 0.000 0.819 374 A HN 0.223 nan 8.150 nan 0.000 0.442 375 Q N -1.032 118.560 119.800 -0.347 0.000 2.124 375 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 375 Q C 2.344 178.287 176.000 -0.094 0.000 0.977 375 Q CA 1.505 57.209 55.803 -0.165 0.000 0.850 375 Q CB -0.180 28.490 28.738 -0.113 0.000 0.901 375 Q HN 0.673 nan 8.270 nan 0.000 0.429 376 R N -0.037 120.413 120.500 -0.082 0.000 2.073 376 R HA -0.187 4.154 4.340 0.001 0.000 0.234 376 R C 1.906 178.232 176.300 0.042 0.000 1.134 376 R CA 1.574 57.666 56.100 -0.014 0.000 0.952 376 R CB -0.289 30.019 30.300 0.014 0.000 0.850 376 R HN 0.387 nan 8.270 nan 0.000 0.433 377 W N 0.687 121.912 121.300 -0.124 0.000 2.355 377 W HA -0.174 4.487 4.660 0.000 0.000 0.309 377 W C 2.037 178.531 176.519 -0.041 0.000 1.206 377 W CA 2.042 59.379 57.345 -0.014 0.000 1.284 377 W CB -0.316 29.220 29.460 0.127 0.000 1.145 377 W HN 0.202 nan 8.180 nan 0.000 0.502 378 A N 0.783 123.756 122.820 0.255 0.000 1.902 378 A HA -0.201 4.120 4.320 0.001 0.000 0.217 378 A C 2.029 179.563 177.584 -0.082 0.000 1.181 378 A CA 1.852 53.959 52.037 0.116 0.000 0.623 378 A CB -0.836 18.231 19.000 0.111 0.000 0.818 378 A HN 0.393 nan 8.150 nan 0.000 0.443 379 R N -0.359 120.096 120.500 -0.074 0.000 2.080 379 R HA -0.194 4.146 4.340 0.001 0.000 0.236 379 R C 2.264 178.488 176.300 -0.127 0.000 1.137 379 R CA 1.838 57.885 56.100 -0.089 0.000 0.943 379 R CB -0.350 29.911 30.300 -0.065 0.000 0.846 379 R HN 0.804 nan 8.270 nan 0.000 0.431 380 E N 0.648 120.753 120.200 -0.159 0.000 2.208 380 E HA -0.176 4.175 4.350 0.001 0.000 0.193 380 E C 1.905 178.348 176.600 -0.261 0.000 0.988 380 E CA 1.087 57.379 56.400 -0.180 0.000 0.828 380 E CB -0.133 29.477 29.700 -0.149 0.000 0.763 380 E HN 0.024 nan 8.360 nan 0.000 0.478 381 R N 0.679 120.927 120.500 -0.419 0.000 2.081 381 R HA 0.062 4.402 4.340 0.001 0.000 0.235 381 R C 2.243 178.389 176.300 -0.257 0.000 1.131 381 R CA 1.829 57.649 56.100 -0.466 0.000 0.960 381 R CB -0.871 28.933 30.300 -0.828 0.000 0.856 381 R HN 0.301 nan 8.270 nan 0.000 0.436 382 A N 0.100 122.801 122.820 -0.199 0.000 1.933 382 A HA -0.196 4.124 4.320 0.001 0.000 0.218 382 A C 2.063 179.582 177.584 -0.108 0.000 1.175 382 A CA 1.528 53.486 52.037 -0.131 0.000 0.628 382 A CB -0.485 18.449 19.000 -0.109 0.000 0.814 382 A HN 0.511 nan 8.150 nan 0.000 0.444 383 Q N -0.796 118.937 119.800 -0.112 0.000 2.124 383 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 383 Q C 2.367 178.318 176.000 -0.082 0.000 0.977 383 Q CA 1.315 57.066 55.803 -0.086 0.000 0.850 383 Q CB -0.147 28.542 28.738 -0.083 0.000 0.901 383 Q HN 0.509 nan 8.270 nan 0.000 0.429 384 R N 0.000 120.438 120.500 -0.104 0.000 2.075 384 R HA -0.053 4.287 4.340 0.001 0.000 0.232 384 R C 2.189 178.446 176.300 -0.072 0.000 1.126 384 R CA 1.230 57.277 56.100 -0.088 0.000 0.963 384 R CB -0.559 29.675 30.300 -0.109 0.000 0.858 384 R HN 0.231 nan 8.270 nan 0.000 0.435 385 A N 0.740 123.512 122.820 -0.080 0.000 1.972 385 A HA -0.092 4.228 4.320 0.001 0.000 0.219 385 A C 2.435 179.990 177.584 -0.049 0.000 1.169 385 A CA 1.298 53.298 52.037 -0.063 0.000 0.635 385 A CB -0.396 18.562 19.000 -0.071 0.000 0.810 385 A HN 0.099 nan 8.150 nan 0.000 0.446 386 V N 0.609 120.493 119.914 -0.050 0.000 2.323 386 V HA -0.188 3.932 4.120 0.001 0.000 0.244 386 V C 2.951 179.028 176.094 -0.028 0.000 1.041 386 V CA 2.306 64.585 62.300 -0.035 0.000 1.025 386 V CB -0.671 31.132 31.823 -0.033 0.000 0.656 386 V HN 0.792 nan 8.190 nan 0.000 0.451 387 S N 0.004 115.684 115.700 -0.033 0.000 2.461 387 S HA 0.136 4.607 4.470 0.001 0.000 0.228 387 S C 1.710 176.296 174.600 -0.025 0.000 1.005 387 S CA 0.917 59.100 58.200 -0.028 0.000 0.942 387 S CB 0.238 63.419 63.200 -0.031 0.000 0.776 387 S HN 1.284 nan 8.310 nan 0.000 0.514 388 G N 0.998 109.780 108.800 -0.029 0.000 2.136 388 G HA2 -0.232 3.729 3.960 0.001 0.000 0.242 388 G HA3 -0.232 3.729 3.960 0.001 0.000 0.242 388 G C -0.004 174.880 174.900 -0.025 0.000 0.989 388 G CA 0.512 45.597 45.100 -0.024 0.000 0.682 388 G HN 0.502 nan 8.290 nan 0.000 0.522 389 M N 0.000 119.581 119.600 -0.031 0.000 2.572 389 M HA 0.000 4.480 4.480 0.001 0.000 0.227 389 M CA 0.000 55.282 55.300 -0.030 0.000 0.988 389 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411