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 3eqd_1_A DATA FIRST_RESID 39 DATA SEQUENCE ELELDEQQRK RLEAFLTQKQ KVGELKDDDF EKISELGAGN GGVVFKVSHK DATA SEQUENCE PSGLVMARKL IHLEIKPAIR NQIIRELQVL HECNSPYIVG FYGAFYSDGE DATA SEQUENCE ISICMEHMDG GSLDQVLKKA GRIPEQILGK VSIAVIKGLT YLREKHKIMH DATA SEQUENCE RDVKPSNILV NSRGEIKLCD FGVSGQLIDS MANSFVGTRS YMSPERLQGT DATA SEQUENCE HYSVQSDIWS MGLSLVEMAV GRYPIPPPDA KELELMFGCX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXPM AIFELLDYIV NEPPPKLPSG VFSLEFQDFV DATA SEQUENCE NKCLIKNPAE RADLKQLMVH AFIKRSDAEE VDFAGWLCST IGLN 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 39 E HA 0.000 nan 4.350 nan 0.000 0.291 39 E C 0.000 176.631 176.600 0.051 0.000 1.382 39 E CA 0.000 56.411 56.400 0.019 0.000 0.976 39 E CB 0.000 29.696 29.700 -0.006 0.000 0.812 40 L N 1.131 122.398 121.223 0.074 0.000 2.693 40 L HA 0.355 4.695 4.340 -0.001 0.000 0.235 40 L C 0.575 177.514 176.870 0.114 0.000 1.127 40 L CA -0.088 54.827 54.840 0.125 0.000 0.914 40 L CB 0.345 42.482 42.059 0.130 0.000 1.193 40 L HN 0.023 nan 8.230 nan 0.000 0.502 41 E N 0.812 121.060 120.200 0.081 0.000 2.398 41 E HA 0.203 4.552 4.350 -0.001 0.000 0.263 41 E C -0.897 175.744 176.600 0.069 0.000 1.046 41 E CA -0.169 56.269 56.400 0.063 0.000 0.908 41 E CB 1.133 30.859 29.700 0.044 0.000 0.963 41 E HN -0.025 nan 8.360 nan 0.000 0.431 42 L N 2.950 124.202 121.223 0.047 0.000 2.325 42 L HA 0.237 4.576 4.340 -0.001 0.000 0.278 42 L C -0.085 176.796 176.870 0.018 0.000 1.023 42 L CA -0.241 54.616 54.840 0.028 0.000 0.811 42 L CB 1.545 43.610 42.059 0.010 0.000 1.249 42 L HN 0.461 nan 8.230 nan 0.000 0.431 43 D N 0.448 120.853 120.400 0.008 0.000 2.393 43 D HA 0.043 4.683 4.640 -0.001 0.000 0.246 43 D C 0.953 177.255 176.300 0.003 0.000 1.275 43 D CA -0.005 53.999 54.000 0.007 0.000 0.979 43 D CB 0.681 41.482 40.800 0.002 0.000 1.101 43 D HN 0.578 nan 8.370 nan 0.000 0.505 44 E N -0.450 119.753 120.200 0.005 0.000 2.072 44 E HA -0.172 4.178 4.350 -0.001 0.000 0.190 44 E C 1.584 178.187 176.600 0.004 0.000 0.982 44 E CA 0.511 56.915 56.400 0.007 0.000 0.803 44 E CB 0.186 29.891 29.700 0.009 0.000 0.755 44 E HN 0.393 nan 8.360 nan 0.000 0.453 45 Q N 0.299 120.100 119.800 0.001 0.000 2.084 45 Q HA -0.225 4.114 4.340 -0.001 0.000 0.202 45 Q C 2.097 178.089 176.000 -0.013 0.000 0.978 45 Q CA 1.400 57.202 55.803 -0.001 0.000 0.844 45 Q CB 0.122 28.860 28.738 0.000 0.000 0.898 45 Q HN 0.341 nan 8.270 nan 0.000 0.426 46 Q N -0.232 119.551 119.800 -0.029 0.000 2.016 46 Q HA -0.156 4.183 4.340 -0.001 0.000 0.200 46 Q C 2.275 178.250 176.000 -0.042 0.000 0.978 46 Q CA 0.969 56.735 55.803 -0.061 0.000 0.833 46 Q CB -0.188 28.497 28.738 -0.089 0.000 0.895 46 Q HN 0.217 nan 8.270 nan 0.000 0.427 47 R N 1.388 121.876 120.500 -0.019 0.000 2.103 47 R HA -0.190 4.149 4.340 -0.001 0.000 0.242 47 R C 2.247 178.554 176.300 0.012 0.000 1.142 47 R CA 1.632 57.731 56.100 -0.001 0.000 0.960 47 R CB -0.224 30.081 30.300 0.009 0.000 0.858 47 R HN 0.163 nan 8.270 nan 0.000 0.439 48 K N 0.632 121.039 120.400 0.013 0.000 2.097 48 K HA -0.151 4.169 4.320 -0.001 0.000 0.205 48 K C 1.901 178.521 176.600 0.034 0.000 1.050 48 K CA 1.266 57.568 56.287 0.024 0.000 0.938 48 K CB -0.134 32.378 32.500 0.020 0.000 0.718 48 K HN 0.167 nan 8.250 nan 0.000 0.442 49 R N 0.213 120.726 120.500 0.022 0.000 2.090 49 R HA -0.038 4.302 4.340 -0.001 0.000 0.228 49 R C 2.372 178.709 176.300 0.062 0.000 1.110 49 R CA 0.706 56.826 56.100 0.034 0.000 0.973 49 R CB -0.288 30.010 30.300 -0.003 0.000 0.869 49 R HN 0.136 nan 8.270 nan 0.000 0.440 50 L N 1.661 122.903 121.223 0.031 0.000 2.056 50 L HA -0.125 4.215 4.340 -0.001 0.000 0.207 50 L C 2.041 178.988 176.870 0.129 0.000 1.078 50 L CA 1.756 56.631 54.840 0.059 0.000 0.749 50 L CB -0.785 41.279 42.059 0.008 0.000 0.901 50 L HN 0.155 nan 8.230 nan 0.000 0.433 51 E N -0.877 119.376 120.200 0.087 0.000 2.038 51 E HA -0.243 4.107 4.350 -0.001 0.000 0.195 51 E C 2.148 178.805 176.600 0.094 0.000 1.000 51 E CA 1.367 57.816 56.400 0.082 0.000 0.803 51 E CB -0.078 29.655 29.700 0.055 0.000 0.750 51 E HN 0.542 nan 8.360 nan 0.000 0.448 52 A N 0.524 123.402 122.820 0.097 0.000 1.908 52 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 52 A C 2.016 179.676 177.584 0.125 0.000 1.181 52 A CA 1.492 53.586 52.037 0.096 0.000 0.627 52 A CB -0.920 18.136 19.000 0.093 0.000 0.818 52 A HN 0.497 nan 8.150 nan 0.000 0.445 53 F N 0.492 120.466 119.950 0.040 0.000 2.095 53 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 53 F C 1.850 177.691 175.800 0.068 0.000 1.104 53 F CA 1.901 59.932 58.000 0.052 0.000 1.232 53 F CB -0.293 38.713 39.000 0.010 0.000 0.987 53 F HN 0.146 nan 8.300 nan 0.000 0.475 54 L N -0.600 120.665 121.223 0.069 0.000 2.093 54 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 54 L C 2.368 179.206 176.870 -0.053 0.000 1.085 54 L CA 1.708 56.542 54.840 -0.010 0.000 0.755 54 L CB -1.254 40.868 42.059 0.105 0.000 0.904 54 L HN 0.085 nan 8.230 nan 0.000 0.435 55 T N -0.760 113.786 114.554 -0.013 0.000 2.684 55 T HA -0.256 4.094 4.350 -0.001 0.000 0.267 55 T C 1.920 176.595 174.700 -0.042 0.000 1.036 55 T CA 1.529 63.621 62.100 -0.013 0.000 1.148 55 T CB -0.207 68.667 68.868 0.010 0.000 0.863 55 T HN 0.403 nan 8.240 nan 0.000 0.436 56 Q N 0.501 120.261 119.800 -0.067 0.000 2.046 56 Q HA -0.052 4.288 4.340 -0.001 0.000 0.200 56 Q C 2.401 178.340 176.000 -0.103 0.000 0.975 56 Q CA 1.121 56.880 55.803 -0.073 0.000 0.836 56 Q CB -0.181 28.525 28.738 -0.053 0.000 0.896 56 Q HN 0.415 nan 8.270 nan 0.000 0.428 57 K N 0.966 121.256 120.400 -0.183 0.000 2.211 57 K HA -0.225 4.095 4.320 -0.001 0.000 0.204 57 K C 1.994 178.560 176.600 -0.057 0.000 1.047 57 K CA 1.212 57.431 56.287 -0.114 0.000 0.935 57 K CB 0.089 32.430 32.500 -0.265 0.000 0.728 57 K HN 0.226 nan 8.250 nan 0.000 0.452 58 Q N 0.242 120.008 119.800 -0.056 0.000 2.124 58 Q HA -0.153 4.187 4.340 -0.001 0.000 0.202 58 Q C 1.414 177.393 176.000 -0.035 0.000 0.977 58 Q CA 1.699 57.483 55.803 -0.032 0.000 0.850 58 Q CB 0.150 28.875 28.738 -0.021 0.000 0.901 58 Q HN 0.302 nan 8.270 nan 0.000 0.429 59 K N -0.526 119.848 120.400 -0.043 0.000 2.418 59 K HA 0.004 4.324 4.320 -0.001 0.000 0.195 59 K C 1.790 178.361 176.600 -0.049 0.000 1.035 59 K CA 0.332 56.595 56.287 -0.040 0.000 1.003 59 K CB 0.299 32.778 32.500 -0.036 0.000 0.793 59 K HN -0.024 nan 8.250 nan 0.000 0.494 60 V N 1.148 121.016 119.914 -0.077 0.000 2.237 60 V HA -0.133 3.986 4.120 -0.001 0.000 0.245 60 V C 1.424 177.471 176.094 -0.077 0.000 1.046 60 V CA 1.920 64.145 62.300 -0.124 0.000 1.007 60 V CB -1.105 30.573 31.823 -0.242 0.000 0.638 60 V HN 0.677 nan 8.190 nan 0.000 0.445 61 G N -0.610 108.154 108.800 -0.060 0.000 2.568 61 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.222 61 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.222 61 G C -0.353 174.525 174.900 -0.038 0.000 1.321 61 G CA -0.040 45.037 45.100 -0.038 0.000 0.893 61 G HN 0.424 nan 8.290 nan 0.000 0.569 62 E N 0.300 120.484 120.200 -0.028 0.000 2.299 62 E HA 0.343 4.693 4.350 -0.001 0.000 0.272 62 E C 0.515 177.080 176.600 -0.059 0.000 1.043 62 E CA -0.197 56.189 56.400 -0.025 0.000 0.895 62 E CB 0.326 30.011 29.700 -0.025 0.000 1.011 62 E HN 0.397 nan 8.360 nan 0.000 0.432 63 L N 4.847 126.035 121.223 -0.058 0.000 2.367 63 L HA 0.246 4.585 4.340 -0.001 0.000 0.275 63 L C 0.276 176.850 176.870 -0.493 0.000 1.129 63 L CA 0.254 55.020 54.840 -0.123 0.000 0.839 63 L CB 0.316 42.455 42.059 0.132 0.000 1.133 63 L HN 0.342 nan 8.230 nan 0.000 0.453 64 K N 1.751 121.883 120.400 -0.446 0.000 2.422 64 K HA 0.168 4.488 4.320 -0.001 0.000 0.251 64 K C -0.017 176.401 176.600 -0.302 0.000 0.933 64 K CA -0.808 55.163 56.287 -0.526 0.000 0.798 64 K CB 2.437 34.791 32.500 -0.244 0.000 1.238 64 K HN 0.403 nan 8.250 nan 0.000 0.428 65 D N 1.460 121.733 120.400 -0.212 0.000 2.133 65 D HA -0.226 4.413 4.640 -0.001 0.000 0.192 65 D C 0.745 177.157 176.300 0.186 0.000 1.001 65 D CA 1.899 56.020 54.000 0.202 0.000 0.844 65 D CB 0.276 41.197 40.800 0.201 0.000 0.944 65 D HN 0.504 nan 8.370 nan 0.000 0.447 66 D N -0.258 120.162 120.400 0.034 0.000 2.378 66 D HA -0.072 4.567 4.640 -0.001 0.000 0.222 66 D C 0.787 177.039 176.300 -0.080 0.000 0.980 66 D CA 0.525 54.519 54.000 -0.010 0.000 0.907 66 D CB -0.200 40.576 40.800 -0.041 0.000 0.899 66 D HN 0.350 nan 8.370 nan 0.000 0.527 67 D N -0.766 119.534 120.400 -0.167 0.000 2.340 67 D HA 0.017 4.657 4.640 -0.001 0.000 0.220 67 D C -0.120 175.834 176.300 -0.577 0.000 1.039 67 D CA 0.130 53.868 54.000 -0.437 0.000 0.866 67 D CB 0.067 40.506 40.800 -0.602 0.000 0.913 67 D HN 0.157 nan 8.370 nan 0.000 0.523 68 F N 0.773 120.692 119.950 -0.052 0.000 2.480 68 F HA 0.300 4.827 4.527 -0.001 0.000 0.329 68 F C 0.621 176.395 175.800 -0.043 0.000 1.091 68 F CA -1.036 56.956 58.000 -0.013 0.000 0.972 68 F CB 1.751 40.786 39.000 0.059 0.000 1.150 68 F HN -0.343 nan 8.300 nan 0.000 0.467 69 E N 3.760 124.046 120.200 0.143 0.000 2.191 69 E HA 0.204 4.553 4.350 -0.001 0.000 0.263 69 E C -1.074 175.562 176.600 0.061 0.000 0.881 69 E CA -0.872 55.561 56.400 0.055 0.000 0.757 69 E CB 1.369 31.071 29.700 0.004 0.000 1.147 69 E HN 0.630 nan 8.360 nan 0.000 0.414 70 K N 5.170 125.574 120.400 0.006 0.000 2.368 70 K HA 0.117 4.436 4.320 -0.001 0.000 0.282 70 K C 0.479 177.099 176.600 0.033 0.000 1.035 70 K CA -0.016 56.264 56.287 -0.012 0.000 0.973 70 K CB 0.590 33.009 32.500 -0.135 0.000 0.957 70 K HN 0.631 nan 8.250 nan 0.000 0.474 71 I N 1.669 122.280 120.570 0.068 0.000 3.039 71 I HA -0.038 4.131 4.170 -0.001 0.000 0.270 71 I C 0.263 176.429 176.117 0.082 0.000 1.150 71 I CA 0.152 61.484 61.300 0.054 0.000 1.448 71 I CB 0.436 38.450 38.000 0.023 0.000 1.197 71 I HN 0.775 nan 8.210 nan 0.000 0.450 72 S N -0.382 115.404 115.700 0.142 0.000 2.645 72 S HA 0.219 4.688 4.470 -0.001 0.000 0.268 72 S C -1.084 173.647 174.600 0.218 0.000 1.110 72 S CA -0.979 57.318 58.200 0.160 0.000 0.823 72 S CB 1.733 64.982 63.200 0.082 0.000 1.091 72 S HN 0.154 nan 8.310 nan 0.000 0.466 73 E N 0.268 120.531 120.200 0.106 0.000 2.167 73 E HA 0.455 4.804 4.350 -0.001 0.000 0.284 73 E C 0.248 176.777 176.600 -0.118 0.000 1.016 73 E CA -0.613 55.687 56.400 -0.167 0.000 0.817 73 E CB 0.677 30.216 29.700 -0.268 0.000 1.080 73 E HN 0.615 nan 8.360 nan 0.000 0.397 74 L N 3.492 124.634 121.223 -0.134 0.000 2.307 74 L HA 0.312 4.651 4.340 -0.001 0.000 0.211 74 L C 1.038 177.869 176.870 -0.066 0.000 1.099 74 L CA 0.640 55.458 54.840 -0.037 0.000 0.816 74 L CB 0.076 42.157 42.059 0.035 0.000 0.952 74 L HN 0.735 nan 8.230 nan 0.000 0.455 75 G N -1.066 107.649 108.800 -0.142 0.000 2.350 75 G HA2 0.479 4.438 3.960 -0.001 0.000 0.304 75 G HA3 0.479 4.438 3.960 -0.001 0.000 0.304 75 G C -2.028 172.791 174.900 -0.135 0.000 1.421 75 G CA -0.180 44.856 45.100 -0.108 0.000 0.934 75 G HN 0.126 nan 8.290 nan 0.000 0.632 76 A N -1.269 121.499 122.820 -0.085 0.000 2.532 76 A HA 1.122 5.441 4.320 -0.001 0.000 0.290 76 A C 0.374 177.946 177.584 -0.020 0.000 1.143 76 A CA 0.374 52.373 52.037 -0.064 0.000 0.728 76 A CB 1.667 20.629 19.000 -0.064 0.000 1.317 76 A HN 2.525 nan 8.150 nan 0.000 0.414 77 G N -0.718 108.084 108.800 0.005 0.000 2.753 77 G HA2 0.462 4.422 3.960 -0.001 0.000 0.303 77 G HA3 0.462 4.422 3.960 -0.001 0.000 0.303 77 G C -1.437 173.492 174.900 0.048 0.000 1.242 77 G CA -0.742 44.373 45.100 0.024 0.000 0.810 77 G HN 0.644 nan 8.290 nan 0.000 0.515 78 N N 0.355 119.094 118.700 0.065 0.000 2.482 78 N HA 0.482 5.221 4.740 -0.001 0.000 0.242 78 N C 0.791 176.413 175.510 0.186 0.000 1.100 78 N CA 1.195 54.300 53.050 0.092 0.000 0.946 78 N CB 1.041 39.574 38.487 0.077 0.000 1.227 78 N HN 1.127 nan 8.380 nan 0.000 0.508 79 G N 0.361 109.333 108.800 0.288 0.000 3.638 79 G HA2 0.010 3.970 3.960 -0.001 0.000 0.196 79 G HA3 0.010 3.970 3.960 -0.001 0.000 0.196 79 G C 0.240 175.385 174.900 0.408 0.000 1.315 79 G CA -0.187 45.257 45.100 0.573 0.000 0.944 79 G HN 0.821 nan 8.290 nan 0.000 0.434 80 G N -1.185 107.727 108.800 0.187 0.000 2.721 80 G HA2 0.707 4.666 3.960 -0.001 0.000 0.296 80 G HA3 0.707 4.666 3.960 -0.001 0.000 0.296 80 G C -1.685 173.252 174.900 0.063 0.000 1.383 80 G CA 0.264 45.442 45.100 0.130 0.000 0.788 80 G HN 1.109 nan 8.290 nan 0.000 0.500 81 V N -0.483 119.459 119.914 0.047 0.000 2.769 81 V HA 0.686 4.805 4.120 -0.001 0.000 0.312 81 V C -0.414 175.627 176.094 -0.088 0.000 1.061 81 V CA -0.775 61.486 62.300 -0.065 0.000 0.931 81 V CB 1.798 33.569 31.823 -0.088 0.000 1.010 81 V HN 0.598 nan 8.190 nan 0.000 0.433 82 V N 3.825 123.609 119.914 -0.216 0.000 2.409 82 V HA 0.562 4.681 4.120 -0.001 0.000 0.291 82 V C -0.835 175.102 176.094 -0.262 0.000 1.020 82 V CA -0.369 61.861 62.300 -0.118 0.000 0.848 82 V CB 1.271 33.071 31.823 -0.038 0.000 0.990 82 V HN 0.660 nan 8.190 nan 0.000 0.430 83 F N 2.607 122.564 119.950 0.012 0.000 2.492 83 F HA 0.536 5.063 4.527 -0.001 0.000 0.327 83 F C 0.350 176.161 175.800 0.019 0.000 1.079 83 F CA -0.808 57.200 58.000 0.013 0.000 0.967 83 F CB 1.793 40.792 39.000 -0.002 0.000 1.169 83 F HN 0.303 nan 8.300 nan 0.000 0.472 84 K N 2.897 123.411 120.400 0.191 0.000 2.258 84 K HA 0.609 4.929 4.320 -0.001 0.000 0.284 84 K C -1.094 175.558 176.600 0.086 0.000 1.051 84 K CA -0.383 55.936 56.287 0.053 0.000 0.923 84 K CB 0.799 33.250 32.500 -0.081 0.000 1.046 84 K HN 0.604 nan 8.250 nan 0.000 0.474 85 V N -0.212 119.751 119.914 0.081 0.000 3.102 85 V HA 0.600 4.719 4.120 -0.001 0.000 0.312 85 V C -0.926 175.257 176.094 0.148 0.000 1.135 85 V CA -0.959 61.422 62.300 0.135 0.000 1.022 85 V CB 1.720 33.659 31.823 0.194 0.000 1.056 85 V HN 0.712 nan 8.190 nan 0.000 0.436 86 S N 0.583 116.379 115.700 0.160 0.000 2.456 86 S HA 0.397 4.867 4.470 -0.001 0.000 0.316 86 S C -0.457 174.206 174.600 0.105 0.000 1.089 86 S CA -0.527 57.734 58.200 0.102 0.000 1.101 86 S CB 0.323 63.538 63.200 0.025 0.000 0.995 86 S HN 1.159 nan 8.310 nan 0.000 0.468 87 H N 4.896 123.925 119.070 -0.068 0.000 2.969 87 H HA 0.231 4.787 4.556 -0.001 0.000 0.269 87 H C 0.885 176.046 175.328 -0.279 0.000 1.223 87 H CA -0.097 55.738 56.048 -0.356 0.000 1.400 87 H CB 0.391 29.927 29.762 -0.378 0.000 1.500 87 H HN 0.727 nan 8.280 nan 0.000 0.486 88 K N 4.163 124.252 120.400 -0.518 0.000 2.032 88 K HA -0.194 4.125 4.320 -0.001 0.000 0.218 88 K C -0.822 175.548 176.600 -0.382 0.000 1.054 88 K CA 2.317 58.379 56.287 -0.376 0.000 0.941 88 K CB -0.861 31.452 32.500 -0.312 0.000 0.720 88 K HN 0.505 nan 8.250 nan 0.000 0.449 89 P HA -0.190 nan 4.420 nan 0.000 0.213 89 P C 1.325 178.507 177.300 -0.196 0.000 1.170 89 P CA 1.954 64.841 63.100 -0.356 0.000 0.898 89 P CB -0.051 31.405 31.700 -0.406 0.000 0.787 90 S N -2.198 113.433 115.700 -0.115 0.000 2.496 90 S HA 0.187 4.657 4.470 -0.001 0.000 0.224 90 S C 1.812 176.394 174.600 -0.029 0.000 0.996 90 S CA 0.677 58.881 58.200 0.005 0.000 0.927 90 S CB -1.228 62.039 63.200 0.112 0.000 0.774 90 S HN 0.344 nan 8.310 nan 0.000 0.524 91 G N 0.966 109.727 108.800 -0.065 0.000 2.189 91 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.267 91 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.267 91 G C -0.005 174.884 174.900 -0.017 0.000 0.975 91 G CA 0.428 45.498 45.100 -0.050 0.000 0.644 91 G HN 0.557 nan 8.290 nan 0.000 0.537 92 L N 0.682 121.900 121.223 -0.008 0.000 2.426 92 L HA 0.441 4.780 4.340 -0.001 0.000 0.271 92 L C 0.940 177.820 176.870 0.017 0.000 1.169 92 L CA -0.620 54.208 54.840 -0.019 0.000 0.836 92 L CB 1.257 43.234 42.059 -0.137 0.000 1.112 92 L HN -0.036 nan 8.230 nan 0.000 0.465 93 V N 4.813 124.756 119.914 0.048 0.000 2.509 93 V HA 0.438 4.557 4.120 -0.001 0.000 0.284 93 V C 0.328 176.500 176.094 0.130 0.000 1.047 93 V CA -0.185 62.155 62.300 0.067 0.000 0.952 93 V CB 1.501 33.345 31.823 0.036 0.000 0.988 93 V HN 0.721 nan 8.190 nan 0.000 0.469 94 M N 3.072 122.762 119.600 0.149 0.000 2.664 94 M HA 0.742 5.222 4.480 -0.001 0.000 0.279 94 M C -0.748 175.677 176.300 0.209 0.000 1.275 94 M CA -0.712 54.735 55.300 0.245 0.000 0.829 94 M CB 2.363 35.109 32.600 0.243 0.000 1.727 94 M HN 0.550 nan 8.290 nan 0.000 0.459 95 A N 1.612 124.589 122.820 0.262 0.000 2.258 95 A HA 0.668 4.988 4.320 -0.001 0.000 0.316 95 A C -0.742 176.924 177.584 0.136 0.000 1.279 95 A CA -0.489 51.676 52.037 0.214 0.000 0.876 95 A CB 0.504 19.651 19.000 0.245 0.000 1.170 95 A HN 0.823 nan 8.150 nan 0.000 0.520 96 R N 2.857 123.412 120.500 0.091 0.000 2.265 96 R HA 0.358 4.698 4.340 -0.001 0.000 0.328 96 R C -0.566 175.761 176.300 0.045 0.000 0.969 96 R CA -0.411 55.686 56.100 -0.004 0.000 0.832 96 R CB 0.722 30.928 30.300 -0.158 0.000 1.139 96 R HN 0.713 nan 8.270 nan 0.000 0.457 97 K N 5.838 126.237 120.400 -0.002 0.000 2.234 97 K HA 0.251 4.570 4.320 -0.001 0.000 0.277 97 K C -1.230 175.350 176.600 -0.034 0.000 1.038 97 K CA -0.495 55.795 56.287 0.005 0.000 0.888 97 K CB 0.723 33.217 32.500 -0.010 0.000 1.091 97 K HN 0.460 nan 8.250 nan 0.000 0.467 98 L N 6.398 127.638 121.223 0.028 0.000 2.287 98 L HA 0.447 4.786 4.340 -0.001 0.000 0.287 98 L C -0.472 176.416 176.870 0.031 0.000 1.022 98 L CA -0.537 54.304 54.840 0.001 0.000 0.814 98 L CB 1.345 43.448 42.059 0.073 0.000 1.217 98 L HN 0.548 nan 8.230 nan 0.000 0.420 99 I N 2.341 122.895 120.570 -0.026 0.000 2.359 99 I HA 0.191 4.361 4.170 -0.001 0.000 0.284 99 I C -0.123 176.011 176.117 0.028 0.000 1.018 99 I CA -0.564 60.728 61.300 -0.013 0.000 1.173 99 I CB 0.792 38.705 38.000 -0.144 0.000 1.326 99 I HN 0.547 nan 8.210 nan 0.000 0.462 100 H N 7.119 126.256 119.070 0.112 0.000 3.017 100 H HA 0.459 5.015 4.556 -0.001 0.000 0.276 100 H C -1.072 174.394 175.328 0.230 0.000 1.062 100 H CA 0.409 56.549 56.048 0.154 0.000 1.486 100 H CB 0.385 30.254 29.762 0.179 0.000 1.507 100 H HN 0.489 nan 8.280 nan 0.000 0.508 101 L N 5.083 126.328 121.223 0.036 0.000 2.476 101 L HA 0.239 4.578 4.340 -0.001 0.000 0.269 101 L C -0.835 176.097 176.870 0.104 0.000 0.965 101 L CA -0.752 54.165 54.840 0.128 0.000 0.845 101 L CB 1.800 43.840 42.059 -0.031 0.000 1.259 101 L HN 0.631 nan 8.230 nan 0.000 0.403 102 E N 6.136 126.432 120.200 0.160 0.000 1.996 102 E HA 0.505 4.855 4.350 -0.001 0.000 0.280 102 E C -0.741 175.907 176.600 0.080 0.000 1.092 102 E CA 0.061 56.536 56.400 0.124 0.000 0.862 102 E CB 1.449 31.239 29.700 0.151 0.000 1.066 102 E HN 0.416 nan 8.360 nan 0.000 0.396 103 I N 1.493 122.081 120.570 0.030 0.000 3.195 103 I HA 0.225 4.394 4.170 -0.001 0.000 0.313 103 I C 0.024 176.088 176.117 -0.088 0.000 1.237 103 I CA -1.236 60.047 61.300 -0.028 0.000 0.963 103 I CB 1.803 39.774 38.000 -0.048 0.000 1.278 103 I HN 0.159 nan 8.210 nan 0.000 0.460 104 K N 1.610 121.962 120.400 -0.080 0.000 2.168 104 K HA 0.352 4.671 4.320 -0.001 0.000 0.258 104 K C -2.419 174.090 176.600 -0.151 0.000 1.010 104 K CA -1.354 54.879 56.287 -0.090 0.000 0.929 104 K CB 0.721 33.192 32.500 -0.049 0.000 0.998 104 K HN 0.115 nan 8.250 nan 0.000 0.479 105 P HA -0.253 nan 4.420 nan 0.000 0.216 105 P C 1.258 178.488 177.300 -0.116 0.000 1.150 105 P CA 2.140 65.149 63.100 -0.151 0.000 0.843 105 P CB -0.025 31.628 31.700 -0.079 0.000 0.787 106 A N -0.027 122.747 122.820 -0.077 0.000 1.841 106 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 106 A C 2.197 179.743 177.584 -0.063 0.000 1.199 106 A CA 2.156 54.160 52.037 -0.054 0.000 0.621 106 A CB -1.689 17.289 19.000 -0.037 0.000 0.835 106 A HN 0.118 nan 8.150 nan 0.000 0.445 107 I N 0.118 120.645 120.570 -0.071 0.000 2.127 107 I HA -0.341 3.828 4.170 -0.001 0.000 0.241 107 I C 2.734 178.795 176.117 -0.094 0.000 1.075 107 I CA 2.178 63.437 61.300 -0.070 0.000 1.334 107 I CB -0.952 37.011 38.000 -0.062 0.000 1.040 107 I HN 0.549 nan 8.210 nan 0.000 0.405 108 R N 1.969 122.372 120.500 -0.162 0.000 2.096 108 R HA -0.213 4.127 4.340 -0.001 0.000 0.240 108 R C 1.869 178.100 176.300 -0.114 0.000 1.139 108 R CA 2.305 58.278 56.100 -0.213 0.000 0.952 108 R CB -0.733 29.245 30.300 -0.536 0.000 0.854 108 R HN 0.376 nan 8.270 nan 0.000 0.436 109 N N 0.435 119.076 118.700 -0.097 0.000 2.364 109 N HA -0.162 4.578 4.740 -0.001 0.000 0.183 109 N C 1.648 177.152 175.510 -0.010 0.000 1.022 109 N CA 1.040 54.071 53.050 -0.031 0.000 0.883 109 N CB -0.125 38.347 38.487 -0.025 0.000 0.965 109 N HN 0.508 nan 8.380 nan 0.000 0.438 110 Q N 0.606 120.391 119.800 -0.025 0.000 2.062 110 Q HA 0.046 4.385 4.340 -0.001 0.000 0.196 110 Q C 2.126 178.120 176.000 -0.010 0.000 0.967 110 Q CA 0.554 56.349 55.803 -0.014 0.000 0.832 110 Q CB 0.102 28.827 28.738 -0.021 0.000 0.899 110 Q HN 0.309 nan 8.270 nan 0.000 0.442 111 I N 1.085 121.642 120.570 -0.023 0.000 2.118 111 I HA -0.334 3.835 4.170 -0.001 0.000 0.241 111 I C 2.159 178.277 176.117 0.001 0.000 1.070 111 I CA 0.858 62.144 61.300 -0.024 0.000 1.327 111 I CB -0.405 37.571 38.000 -0.040 0.000 1.034 111 I HN 0.246 nan 8.210 nan 0.000 0.405 112 I N 0.575 121.162 120.570 0.028 0.000 2.236 112 I HA -0.314 3.856 4.170 -0.001 0.000 0.249 112 I C 2.590 178.759 176.117 0.086 0.000 1.102 112 I CA 1.526 62.872 61.300 0.078 0.000 1.365 112 I CB -1.347 36.720 38.000 0.112 0.000 1.051 112 I HN 0.250 nan 8.210 nan 0.000 0.420 113 R N 0.452 120.988 120.500 0.060 0.000 2.075 113 R HA -0.137 4.202 4.340 -0.001 0.000 0.232 113 R C 2.146 178.475 176.300 0.047 0.000 1.126 113 R CA 1.220 57.357 56.100 0.062 0.000 0.963 113 R CB 0.025 30.350 30.300 0.042 0.000 0.858 113 R HN 0.519 nan 8.270 nan 0.000 0.435 114 E N 0.467 120.677 120.200 0.017 0.000 2.106 114 E HA -0.184 4.165 4.350 -0.001 0.000 0.192 114 E C 2.025 178.601 176.600 -0.040 0.000 0.984 114 E CA 0.905 57.300 56.400 -0.008 0.000 0.806 114 E CB -0.134 29.552 29.700 -0.024 0.000 0.750 114 E HN 0.353 nan 8.360 nan 0.000 0.458 115 L N 1.269 122.462 121.223 -0.050 0.000 2.275 115 L HA -0.155 4.185 4.340 -0.001 0.000 0.215 115 L C 2.388 179.155 176.870 -0.171 0.000 1.119 115 L CA 0.491 55.241 54.840 -0.151 0.000 0.790 115 L CB -0.342 41.662 42.059 -0.092 0.000 0.919 115 L HN 0.034 nan 8.230 nan 0.000 0.443 116 Q N -0.262 119.565 119.800 0.047 0.000 2.234 116 Q HA -0.190 4.150 4.340 -0.001 0.000 0.206 116 Q C 2.411 178.502 176.000 0.151 0.000 0.980 116 Q CA 1.270 57.214 55.803 0.235 0.000 0.869 116 Q CB -0.773 28.119 28.738 0.258 0.000 0.912 116 Q HN 0.423 nan 8.270 nan 0.000 0.436 117 V N 0.681 120.601 119.914 0.011 0.000 2.720 117 V HA -0.199 3.921 4.120 -0.001 0.000 0.256 117 V C 1.972 178.018 176.094 -0.080 0.000 1.082 117 V CA 0.981 63.284 62.300 0.006 0.000 1.101 117 V CB -0.335 31.483 31.823 -0.009 0.000 0.693 117 V HN 0.315 nan 8.190 nan 0.000 0.479 118 L N -0.710 120.310 121.223 -0.338 0.000 2.265 118 L HA -0.135 4.204 4.340 -0.001 0.000 0.215 118 L C 2.422 179.168 176.870 -0.206 0.000 1.117 118 L CA 1.153 55.659 54.840 -0.557 0.000 0.782 118 L CB -0.801 40.320 42.059 -1.563 0.000 0.914 118 L HN 0.444 nan 8.230 nan 0.000 0.441 119 H N 0.067 119.208 119.070 0.119 0.000 2.521 119 H HA -0.084 4.472 4.556 -0.001 0.000 0.286 119 H C 1.615 177.074 175.328 0.218 0.000 1.034 119 H CA 1.057 57.296 56.048 0.318 0.000 1.278 119 H CB 0.253 30.191 29.762 0.293 0.000 1.386 119 H HN 0.522 nan 8.280 nan 0.000 0.567 120 E N -0.312 120.047 120.200 0.265 0.000 2.400 120 E HA 0.039 4.388 4.350 -0.001 0.000 0.195 120 E C 0.332 177.131 176.600 0.333 0.000 1.012 120 E CA -0.076 56.498 56.400 0.289 0.000 0.875 120 E CB 0.465 30.343 29.700 0.297 0.000 0.859 120 E HN 0.160 nan 8.360 nan 0.000 0.498 121 C N 3.414 122.792 119.300 0.131 0.000 2.210 121 C HA 0.271 4.730 4.460 -0.001 0.000 0.377 121 C C -0.202 174.891 174.990 0.172 0.000 1.037 121 C CA -1.129 57.967 59.018 0.129 0.000 1.405 121 C CB -1.707 26.024 27.740 -0.015 0.000 1.802 121 C HN 0.212 nan 8.230 nan 0.000 0.495 122 N N 2.450 121.284 118.700 0.223 0.000 2.518 122 N HA 0.473 5.212 4.740 -0.001 0.000 0.254 122 N C -0.610 174.729 175.510 -0.285 0.000 0.979 122 N CA 0.136 53.191 53.050 0.009 0.000 0.930 122 N CB 1.917 40.478 38.487 0.123 0.000 1.152 122 N HN 0.643 nan 8.380 nan 0.000 0.505 123 S N 1.785 117.208 115.700 -0.463 0.000 2.547 123 S HA 0.509 4.979 4.470 -0.001 0.000 0.270 123 S C -2.447 171.888 174.600 -0.442 0.000 1.150 123 S CA -1.088 56.756 58.200 -0.594 0.000 0.850 123 S CB 1.779 64.276 63.200 -1.172 0.000 1.118 123 S HN 0.060 nan 8.310 nan 0.000 0.461 124 P HA 0.074 nan 4.420 nan 0.000 0.228 124 P C -0.111 176.751 177.300 -0.730 0.000 1.151 124 P CA 0.944 63.664 63.100 -0.634 0.000 0.770 124 P CB -0.198 31.009 31.700 -0.821 0.000 0.786 125 Y N -1.578 118.614 120.300 -0.179 0.000 2.555 125 Y HA 0.247 4.796 4.550 -0.001 0.000 0.259 125 Y C 0.708 176.543 175.900 -0.108 0.000 1.179 125 Y CA -0.524 57.500 58.100 -0.126 0.000 1.230 125 Y CB 0.255 38.658 38.460 -0.096 0.000 1.146 125 Y HN -0.155 nan 8.280 nan 0.000 0.526 126 I N 0.604 121.124 120.570 -0.083 0.000 2.498 126 I HA 0.242 4.411 4.170 -0.001 0.000 0.290 126 I C -0.237 175.845 176.117 -0.058 0.000 1.032 126 I CA -1.526 59.765 61.300 -0.016 0.000 1.073 126 I CB 1.680 39.644 38.000 -0.061 0.000 1.251 126 I HN -0.326 nan 8.210 nan 0.000 0.426 127 V N 4.785 124.712 119.914 0.021 0.000 2.599 127 V HA 0.198 4.318 4.120 -0.001 0.000 0.300 127 V C 1.331 177.352 176.094 -0.122 0.000 1.034 127 V CA -0.355 61.913 62.300 -0.054 0.000 1.115 127 V CB 0.316 32.146 31.823 0.012 0.000 0.934 127 V HN 0.954 nan 8.190 nan 0.000 0.485 128 G N 3.421 112.016 108.800 -0.341 0.000 2.484 128 G HA2 0.267 4.226 3.960 -0.001 0.000 0.235 128 G HA3 0.267 4.226 3.960 -0.001 0.000 0.235 128 G C -0.903 173.942 174.900 -0.091 0.000 1.282 128 G CA -0.069 44.699 45.100 -0.553 0.000 0.857 128 G HN 0.621 nan 8.290 nan 0.000 0.571 129 F N 2.450 122.337 119.950 -0.105 0.000 2.495 129 F HA 0.605 5.132 4.527 -0.001 0.000 0.327 129 F C -0.020 175.728 175.800 -0.085 0.000 1.103 129 F CA -1.451 56.494 58.000 -0.092 0.000 0.949 129 F CB 1.719 40.646 39.000 -0.122 0.000 1.142 129 F HN 0.421 nan 8.300 nan 0.000 0.457 130 Y N 3.220 123.176 120.300 -0.574 0.000 2.500 130 Y HA 0.579 5.129 4.550 -0.001 0.000 0.284 130 Y C 1.212 176.682 175.900 -0.717 0.000 1.118 130 Y CA 0.147 57.982 58.100 -0.443 0.000 1.241 130 Y CB 0.308 38.660 38.460 -0.181 0.000 1.171 130 Y HN 0.743 nan 8.280 nan 0.000 0.540 131 G N -0.906 107.140 108.800 -1.256 0.000 2.336 131 G HA2 0.517 4.476 3.960 -0.001 0.000 0.300 131 G HA3 0.517 4.476 3.960 -0.001 0.000 0.300 131 G C -1.956 172.857 174.900 -0.145 0.000 1.375 131 G CA -0.356 44.335 45.100 -0.682 0.000 0.885 131 G HN 0.330 nan 8.290 nan 0.000 0.599 132 A N -0.699 122.279 122.820 0.264 0.000 2.515 132 A HA 1.094 5.413 4.320 -0.001 0.000 0.298 132 A C -0.848 176.928 177.584 0.321 0.000 1.059 132 A CA -0.191 51.987 52.037 0.234 0.000 0.698 132 A CB 1.356 20.505 19.000 0.249 0.000 1.289 132 A HN 2.271 nan 8.150 nan 0.000 0.404 133 F N -1.009 119.010 119.950 0.115 0.000 2.779 133 F HA 0.780 5.307 4.527 -0.001 0.000 0.316 133 F C -1.360 174.523 175.800 0.138 0.000 1.164 133 F CA -1.297 56.780 58.000 0.128 0.000 0.924 133 F CB 0.983 40.053 39.000 0.117 0.000 1.348 133 F HN 0.681 nan 8.300 nan 0.000 0.467 134 Y N 0.857 121.289 120.300 0.220 0.000 2.468 134 Y HA 0.722 5.272 4.550 -0.001 0.000 0.342 134 Y C -0.744 175.278 175.900 0.204 0.000 1.021 134 Y CA -0.593 57.557 58.100 0.083 0.000 1.079 134 Y CB 1.947 40.432 38.460 0.042 0.000 1.226 134 Y HN 0.986 nan 8.280 nan 0.000 0.460 135 S N 3.974 119.228 115.700 -0.744 0.000 2.586 135 S HA 0.268 4.738 4.470 -0.001 0.000 0.296 135 S C -1.737 172.547 174.600 -0.526 0.000 1.120 135 S CA -0.542 57.425 58.200 -0.388 0.000 0.927 135 S CB 0.475 63.714 63.200 0.065 0.000 1.114 135 S HN 0.856 nan 8.310 nan 0.000 0.453 136 D N 2.981 123.190 120.400 -0.319 0.000 2.708 136 D HA -0.133 4.506 4.640 -0.001 0.000 0.236 136 D C 0.986 177.125 176.300 -0.268 0.000 1.146 136 D CA 2.653 56.543 54.000 -0.183 0.000 0.662 136 D CB -1.442 39.306 40.800 -0.085 0.000 1.059 136 D HN 1.804 nan 8.370 nan 0.000 0.428 137 G N -0.207 108.352 108.800 -0.401 0.000 2.147 137 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.244 137 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.244 137 G C -0.163 174.416 174.900 -0.535 0.000 1.005 137 G CA 0.489 45.424 45.100 -0.275 0.000 0.713 137 G HN 0.636 nan 8.290 nan 0.000 0.515 138 E N -0.282 119.527 120.200 -0.652 0.000 2.278 138 E HA 0.651 5.001 4.350 -0.001 0.000 0.272 138 E C -0.157 176.225 176.600 -0.363 0.000 0.890 138 E CA -1.305 54.860 56.400 -0.392 0.000 0.770 138 E CB 1.945 31.502 29.700 -0.239 0.000 1.212 138 E HN 0.108 nan 8.360 nan 0.000 0.415 139 I N 1.990 122.464 120.570 -0.160 0.000 2.474 139 I HA 0.177 4.347 4.170 -0.001 0.000 0.287 139 I C -0.071 175.874 176.117 -0.287 0.000 1.048 139 I CA -0.183 61.031 61.300 -0.143 0.000 1.383 139 I CB 1.401 39.368 38.000 -0.055 0.000 1.412 139 I HN 0.543 nan 8.210 nan 0.000 0.531 140 S N 6.895 122.291 115.700 -0.507 0.000 2.473 140 S HA 0.630 5.100 4.470 -0.001 0.000 0.307 140 S C -0.320 174.036 174.600 -0.406 0.000 1.094 140 S CA -0.530 57.290 58.200 -0.633 0.000 1.070 140 S CB 1.450 63.828 63.200 -1.369 0.000 1.019 140 S HN 0.335 nan 8.310 nan 0.000 0.480 141 I N 2.848 123.295 120.570 -0.205 0.000 2.439 141 I HA 0.343 4.513 4.170 -0.001 0.000 0.283 141 I C -0.857 175.258 176.117 -0.003 0.000 1.023 141 I CA -0.481 60.805 61.300 -0.024 0.000 1.100 141 I CB 1.246 39.258 38.000 0.019 0.000 1.238 141 I HN 0.484 nan 8.210 nan 0.000 0.445 142 C N 7.349 126.661 119.300 0.019 0.000 2.295 142 C HA 0.757 5.217 4.460 -0.001 0.000 0.331 142 C C 0.306 175.388 174.990 0.153 0.000 1.280 142 C CA -0.563 58.498 59.018 0.073 0.000 1.746 142 C CB 0.073 27.878 27.740 0.109 0.000 2.328 142 C HN 0.723 nan 8.230 nan 0.000 0.521 143 M N 0.888 120.632 119.600 0.240 0.000 2.745 143 M HA 0.521 5.001 4.480 -0.001 0.000 0.290 143 M C -0.353 176.150 176.300 0.338 0.000 1.262 143 M CA -0.628 54.807 55.300 0.224 0.000 0.795 143 M CB 0.754 33.445 32.600 0.153 0.000 1.758 143 M HN 0.645 nan 8.290 nan 0.000 0.461 144 E N 1.464 121.775 120.200 0.185 0.000 2.413 144 E HA -0.049 4.301 4.350 -0.001 0.000 0.263 144 E C -1.072 175.687 176.600 0.264 0.000 1.015 144 E CA -0.046 56.523 56.400 0.282 0.000 0.916 144 E CB 0.574 30.294 29.700 0.032 0.000 0.947 144 E HN 0.625 nan 8.360 nan 0.000 0.440 145 H N 6.022 125.220 119.070 0.214 0.000 2.620 145 H HA 0.138 4.693 4.556 -0.001 0.000 0.313 145 H C -0.760 174.634 175.328 0.109 0.000 1.075 145 H CA -0.707 55.430 56.048 0.149 0.000 1.397 145 H CB 0.662 30.514 29.762 0.150 0.000 1.446 145 H HN 0.435 nan 8.280 nan 0.000 0.493 146 M N 5.554 124.905 119.600 -0.415 0.000 2.055 146 M HA 0.030 4.510 4.480 -0.001 0.000 0.346 146 M C 0.685 176.670 176.300 -0.524 0.000 1.074 146 M CA -0.649 54.453 55.300 -0.329 0.000 1.009 146 M CB 0.847 33.376 32.600 -0.118 0.000 1.423 146 M HN 0.720 nan 8.290 nan 0.000 0.410 147 D N 1.513 121.641 120.400 -0.453 0.000 2.309 147 D HA -0.114 4.525 4.640 -0.001 0.000 0.212 147 D C 1.397 177.649 176.300 -0.080 0.000 0.968 147 D CA 1.125 54.986 54.000 -0.232 0.000 0.882 147 D CB -0.185 40.611 40.800 -0.008 0.000 0.918 147 D HN 0.723 nan 8.370 nan 0.000 0.503 148 G N -1.064 107.698 108.800 -0.063 0.000 2.939 148 G HA2 0.402 4.362 3.960 -0.001 0.000 0.210 148 G HA3 0.402 4.362 3.960 -0.001 0.000 0.210 148 G C 0.990 175.895 174.900 0.008 0.000 1.160 148 G CA 0.243 45.336 45.100 -0.012 0.000 0.770 148 G HN 0.718 nan 8.290 nan 0.000 0.543 149 G N 0.062 108.853 108.800 -0.014 0.000 2.598 149 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.244 149 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.244 149 G C 0.304 175.225 174.900 0.035 0.000 1.302 149 G CA 0.149 45.256 45.100 0.011 0.000 0.903 149 G HN 1.426 nan 8.290 nan 0.000 0.575 150 S N -0.807 114.918 115.700 0.042 0.000 2.654 150 S HA 0.687 5.156 4.470 -0.001 0.000 0.283 150 S C 1.554 176.198 174.600 0.073 0.000 1.180 150 S CA -0.201 58.030 58.200 0.051 0.000 1.021 150 S CB 1.821 65.041 63.200 0.034 0.000 1.018 150 S HN 0.890 nan 8.310 nan 0.000 0.532 151 L N 1.010 122.281 121.223 0.080 0.000 2.265 151 L HA -0.112 4.227 4.340 -0.001 0.000 0.215 151 L C 2.315 179.242 176.870 0.094 0.000 1.117 151 L CA 1.411 56.316 54.840 0.108 0.000 0.782 151 L CB -0.674 41.441 42.059 0.094 0.000 0.914 151 L HN 0.858 nan 8.230 nan 0.000 0.441 152 D N -0.474 119.964 120.400 0.062 0.000 2.144 152 D HA -0.238 4.402 4.640 -0.001 0.000 0.200 152 D C 1.800 178.139 176.300 0.066 0.000 0.978 152 D CA 1.091 55.130 54.000 0.064 0.000 0.833 152 D CB -0.249 40.578 40.800 0.045 0.000 0.961 152 D HN 0.416 nan 8.370 nan 0.000 0.470 153 Q N 0.405 120.238 119.800 0.056 0.000 2.083 153 Q HA -0.027 4.312 4.340 -0.001 0.000 0.198 153 Q C 2.663 178.696 176.000 0.054 0.000 0.969 153 Q CA 0.856 56.686 55.803 0.045 0.000 0.838 153 Q CB 0.103 28.861 28.738 0.033 0.000 0.900 153 Q HN 0.164 nan 8.270 nan 0.000 0.436 154 V N 1.094 121.057 119.914 0.082 0.000 2.343 154 V HA -0.243 3.876 4.120 -0.001 0.000 0.247 154 V C 2.146 178.316 176.094 0.126 0.000 1.051 154 V CA 1.391 63.753 62.300 0.103 0.000 1.036 154 V CB -0.485 31.452 31.823 0.189 0.000 0.654 154 V HN 0.303 nan 8.190 nan 0.000 0.451 155 L N 0.201 121.509 121.223 0.142 0.000 2.017 155 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 155 L C 2.401 179.331 176.870 0.099 0.000 1.073 155 L CA 2.009 56.936 54.840 0.144 0.000 0.745 155 L CB -0.790 41.350 42.059 0.135 0.000 0.894 155 L HN 0.184 nan 8.230 nan 0.000 0.432 156 K N -0.633 119.811 120.400 0.073 0.000 2.074 156 K HA -0.287 4.032 4.320 -0.001 0.000 0.209 156 K C 2.260 178.879 176.600 0.032 0.000 1.048 156 K CA 2.115 58.431 56.287 0.048 0.000 0.926 156 K CB -0.110 32.411 32.500 0.036 0.000 0.713 156 K HN 0.257 nan 8.250 nan 0.000 0.444 157 K N -0.250 120.165 120.400 0.025 0.000 2.116 157 K HA -0.002 4.317 4.320 -0.001 0.000 0.203 157 K C 1.779 178.375 176.600 -0.006 0.000 1.052 157 K CA 0.943 57.227 56.287 -0.005 0.000 0.952 157 K CB 0.089 32.570 32.500 -0.032 0.000 0.729 157 K HN 0.120 nan 8.250 nan 0.000 0.446 158 A N -0.336 122.503 122.820 0.032 0.000 2.016 158 A HA 0.211 4.531 4.320 -0.001 0.000 0.217 158 A C 1.685 179.319 177.584 0.083 0.000 1.162 158 A CA 1.411 53.487 52.037 0.066 0.000 0.662 158 A CB -0.499 18.627 19.000 0.210 0.000 0.812 158 A HN 0.532 nan 8.150 nan 0.000 0.450 159 G N -0.270 108.574 108.800 0.074 0.000 3.757 159 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.215 159 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.215 159 G C 0.417 175.364 174.900 0.079 0.000 1.411 159 G CA 0.593 45.724 45.100 0.051 0.000 0.896 159 G HN 1.392 nan 8.290 nan 0.000 0.581 160 R N -0.372 120.203 120.500 0.125 0.000 2.680 160 R HA 0.741 5.081 4.340 -0.001 0.000 0.269 160 R C -1.177 175.275 176.300 0.254 0.000 1.026 160 R CA -1.125 55.080 56.100 0.174 0.000 0.889 160 R CB 1.111 31.501 30.300 0.149 0.000 1.241 160 R HN 0.356 nan 8.270 nan 0.000 0.463 161 I N 2.475 123.196 120.570 0.252 0.000 2.331 161 I HA 0.346 4.516 4.170 -0.001 0.000 0.292 161 I C -2.021 174.172 176.117 0.127 0.000 0.998 161 I CA -2.670 58.753 61.300 0.205 0.000 1.267 161 I CB 1.782 39.861 38.000 0.132 0.000 1.386 161 I HN 0.419 nan 8.210 nan 0.000 0.476 162 P HA -0.015 nan 4.420 nan 0.000 0.267 162 P C 0.615 177.890 177.300 -0.042 0.000 1.200 162 P CA -0.081 63.031 63.100 0.019 0.000 0.772 162 P CB 0.683 32.329 31.700 -0.090 0.000 0.855 163 E N 2.086 122.320 120.200 0.057 0.000 2.097 163 E HA -0.311 4.039 4.350 -0.001 0.000 0.196 163 E C 1.405 177.866 176.600 -0.232 0.000 1.000 163 E CA 1.500 57.822 56.400 -0.131 0.000 0.804 163 E CB -0.108 29.616 29.700 0.040 0.000 0.740 163 E HN 0.452 nan 8.360 nan 0.000 0.454 164 Q N -0.294 119.412 119.800 -0.156 0.000 2.170 164 Q HA -0.153 4.187 4.340 -0.001 0.000 0.203 164 Q C 2.269 178.119 176.000 -0.250 0.000 0.976 164 Q CA 1.058 56.748 55.803 -0.188 0.000 0.858 164 Q CB 0.025 28.685 28.738 -0.131 0.000 0.907 164 Q HN 0.446 nan 8.270 nan 0.000 0.433 165 I N 0.566 120.952 120.570 -0.305 0.000 2.315 165 I HA -0.217 3.952 4.170 -0.001 0.000 0.248 165 I C 2.140 178.070 176.117 -0.311 0.000 1.117 165 I CA 1.224 62.305 61.300 -0.366 0.000 1.404 165 I CB -0.786 36.769 38.000 -0.741 0.000 1.071 165 I HN 0.274 nan 8.210 nan 0.000 0.419 166 L N 0.359 121.420 121.223 -0.270 0.000 2.275 166 L HA -0.070 4.269 4.340 -0.001 0.000 0.215 166 L C 2.588 179.338 176.870 -0.200 0.000 1.119 166 L CA 0.986 55.706 54.840 -0.199 0.000 0.790 166 L CB -0.939 41.021 42.059 -0.165 0.000 0.919 166 L HN 0.262 nan 8.230 nan 0.000 0.443 167 G N 0.056 108.680 108.800 -0.293 0.000 2.418 167 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 167 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 167 G C 1.710 176.346 174.900 -0.440 0.000 1.158 167 G CA 0.348 45.118 45.100 -0.548 0.000 0.771 167 G HN 0.131 nan 8.290 nan 0.000 0.545 168 K N 0.398 120.586 120.400 -0.354 0.000 2.097 168 K HA 0.049 4.369 4.320 -0.001 0.000 0.205 168 K C 2.631 179.038 176.600 -0.322 0.000 1.050 168 K CA 0.516 56.605 56.287 -0.329 0.000 0.938 168 K CB -0.844 31.448 32.500 -0.345 0.000 0.718 168 K HN 0.286 nan 8.250 nan 0.000 0.442 169 V N 1.447 121.173 119.914 -0.314 0.000 2.343 169 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 169 V C 2.252 178.261 176.094 -0.141 0.000 1.051 169 V CA 1.839 64.000 62.300 -0.232 0.000 1.036 169 V CB -0.518 31.206 31.823 -0.165 0.000 0.654 169 V HN 0.233 nan 8.190 nan 0.000 0.451 170 S N -0.050 115.581 115.700 -0.115 0.000 2.368 170 S HA -0.140 4.329 4.470 -0.001 0.000 0.225 170 S C 1.894 176.435 174.600 -0.098 0.000 1.030 170 S CA 1.710 59.890 58.200 -0.034 0.000 0.999 170 S CB -0.368 62.804 63.200 -0.047 0.000 0.844 170 S HN 0.498 nan 8.310 nan 0.000 0.459 171 I N 1.702 122.150 120.570 -0.203 0.000 2.163 171 I HA -0.259 3.910 4.170 -0.001 0.000 0.243 171 I C 2.712 178.657 176.117 -0.287 0.000 1.085 171 I CA 1.226 62.391 61.300 -0.225 0.000 1.347 171 I CB -0.506 37.351 38.000 -0.238 0.000 1.044 171 I HN 0.278 nan 8.210 nan 0.000 0.408 172 A N 0.277 122.946 122.820 -0.251 0.000 1.877 172 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 172 A C 2.419 179.868 177.584 -0.224 0.000 1.186 172 A CA 1.902 53.783 52.037 -0.261 0.000 0.620 172 A CB -0.996 17.986 19.000 -0.030 0.000 0.822 172 A HN 0.248 nan 8.150 nan 0.000 0.443 173 V N 0.153 119.994 119.914 -0.121 0.000 2.295 173 V HA -0.266 3.853 4.120 -0.001 0.000 0.246 173 V C 2.428 178.479 176.094 -0.072 0.000 1.049 173 V CA 2.012 64.272 62.300 -0.067 0.000 1.024 173 V CB -0.714 31.089 31.823 -0.033 0.000 0.648 173 V HN 0.566 nan 8.190 nan 0.000 0.447 174 I N -0.346 120.180 120.570 -0.074 0.000 2.163 174 I HA -0.273 3.897 4.170 -0.001 0.000 0.243 174 I C 2.563 178.614 176.117 -0.110 0.000 1.085 174 I CA 1.724 62.995 61.300 -0.049 0.000 1.347 174 I CB -0.404 37.595 38.000 -0.002 0.000 1.044 174 I HN 0.268 nan 8.210 nan 0.000 0.408 175 K N 0.544 120.781 120.400 -0.271 0.000 2.148 175 K HA -0.081 4.238 4.320 -0.001 0.000 0.204 175 K C 2.159 178.657 176.600 -0.170 0.000 1.050 175 K CA 1.312 57.386 56.287 -0.355 0.000 0.942 175 K CB -0.389 31.572 32.500 -0.899 0.000 0.724 175 K HN 0.448 nan 8.250 nan 0.000 0.446 176 G N 1.530 110.250 108.800 -0.133 0.000 2.404 176 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.215 176 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.215 176 G C 1.494 176.440 174.900 0.077 0.000 1.174 176 G CA 0.376 45.514 45.100 0.064 0.000 0.780 176 G HN 0.078 nan 8.290 nan 0.000 0.537 177 L N 0.490 121.732 121.223 0.032 0.000 2.141 177 L HA -0.057 4.282 4.340 -0.001 0.000 0.209 177 L C 3.134 180.024 176.870 0.034 0.000 1.094 177 L CA 1.349 56.212 54.840 0.038 0.000 0.763 177 L CB -0.628 41.452 42.059 0.035 0.000 0.908 177 L HN 0.167 nan 8.230 nan 0.000 0.437 178 T N -1.264 113.310 114.554 0.032 0.000 2.777 178 T HA -0.241 4.109 4.350 -0.001 0.000 0.266 178 T C 1.691 176.419 174.700 0.047 0.000 1.040 178 T CA 1.367 63.484 62.100 0.028 0.000 1.141 178 T CB -0.339 68.539 68.868 0.016 0.000 0.868 178 T HN 0.340 nan 8.240 nan 0.000 0.444 179 Y N 1.670 121.969 120.300 -0.003 0.000 2.145 179 Y HA -0.082 4.468 4.550 -0.001 0.000 0.286 179 Y C 1.985 177.913 175.900 0.047 0.000 1.145 179 Y CA 1.189 59.308 58.100 0.031 0.000 1.148 179 Y CB -0.460 38.042 38.460 0.069 0.000 0.981 179 Y HN 0.105 nan 8.280 nan 0.000 0.507 180 L N -0.147 121.083 121.223 0.011 0.000 2.046 180 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 180 L C 2.851 179.663 176.870 -0.096 0.000 1.077 180 L CA 1.441 56.230 54.840 -0.085 0.000 0.747 180 L CB -0.521 41.445 42.059 -0.155 0.000 0.896 180 L HN 0.168 nan 8.230 nan 0.000 0.432 181 R N -0.212 120.244 120.500 -0.074 0.000 2.062 181 R HA -0.126 4.214 4.340 -0.001 0.000 0.229 181 R C 2.253 178.491 176.300 -0.103 0.000 1.128 181 R CA 1.160 57.222 56.100 -0.064 0.000 0.960 181 R CB 0.037 30.318 30.300 -0.033 0.000 0.855 181 R HN 0.290 nan 8.270 nan 0.000 0.432 182 E N 0.655 120.776 120.200 -0.132 0.000 2.028 182 E HA -0.134 4.216 4.350 -0.001 0.000 0.191 182 E C 1.841 178.290 176.600 -0.252 0.000 0.988 182 E CA 1.223 57.531 56.400 -0.154 0.000 0.799 182 E CB -0.002 29.629 29.700 -0.115 0.000 0.755 182 E HN 0.255 nan 8.360 nan 0.000 0.447 183 K N -0.146 119.984 120.400 -0.450 0.000 2.361 183 K HA 0.021 4.341 4.320 -0.001 0.000 0.196 183 K C 1.134 177.207 176.600 -0.878 0.000 1.039 183 K CA 0.578 56.449 56.287 -0.695 0.000 1.001 183 K CB 0.324 32.213 32.500 -1.018 0.000 0.795 183 K HN 0.309 nan 8.250 nan 0.000 0.495 184 H N -0.033 118.874 119.070 -0.272 0.000 3.398 184 H HA 0.207 4.763 4.556 -0.001 0.000 0.260 184 H C -0.332 174.926 175.328 -0.116 0.000 1.189 184 H CA -0.178 55.771 56.048 -0.165 0.000 1.145 184 H CB 0.812 30.482 29.762 -0.154 0.000 1.599 184 H HN 0.006 nan 8.280 nan 0.000 0.615 185 K N 1.219 121.590 120.400 -0.049 0.000 3.035 185 K HA -0.165 4.155 4.320 -0.001 0.000 0.262 185 K C -0.339 176.249 176.600 -0.021 0.000 1.024 185 K CA 0.593 56.855 56.287 -0.042 0.000 0.748 185 K CB -1.498 30.977 32.500 -0.042 0.000 1.247 185 K HN 0.358 nan 8.250 nan 0.000 0.482 186 I N 0.828 121.390 120.570 -0.013 0.000 2.562 186 I HA 0.410 4.579 4.170 -0.001 0.000 0.301 186 I C 0.372 176.478 176.117 -0.019 0.000 1.003 186 I CA -1.115 60.178 61.300 -0.012 0.000 1.127 186 I CB 1.639 39.629 38.000 -0.018 0.000 1.304 186 I HN 0.103 nan 8.210 nan 0.000 0.446 187 M N 3.571 123.177 119.600 0.011 0.000 2.528 187 M HA 0.410 4.889 4.480 -0.001 0.000 0.321 187 M C 0.510 176.880 176.300 0.116 0.000 1.153 187 M CA -0.392 54.943 55.300 0.057 0.000 0.951 187 M CB 2.049 34.684 32.600 0.059 0.000 1.705 187 M HN 0.564 nan 8.290 nan 0.000 0.451 188 H N 2.709 121.826 119.070 0.078 0.000 2.270 188 H HA -0.005 4.550 4.556 -0.001 0.000 0.299 188 H C 0.626 176.057 175.328 0.172 0.000 1.077 188 H CA 3.080 59.210 56.048 0.138 0.000 1.294 188 H CB 0.333 30.164 29.762 0.114 0.000 1.371 188 H HN 0.960 nan 8.280 nan 0.000 0.491 189 R N -1.186 119.542 120.500 0.380 0.000 3.590 189 R HA -0.176 4.163 4.340 -0.001 0.000 0.463 189 R C -0.421 176.047 176.300 0.280 0.000 0.657 189 R CA 1.352 57.629 56.100 0.294 0.000 1.512 189 R CB -1.292 29.150 30.300 0.236 0.000 2.154 189 R HN 0.355 nan 8.270 nan 0.000 0.409 190 D N 0.464 121.167 120.400 0.506 0.000 2.945 190 D HA 0.218 4.858 4.640 -0.001 0.000 0.369 190 D C -0.967 175.416 176.300 0.139 0.000 1.294 190 D CA -0.119 54.074 54.000 0.321 0.000 0.778 190 D CB 0.850 41.806 40.800 0.260 0.000 1.188 190 D HN -0.024 nan 8.370 nan 0.000 0.479 191 V N 2.574 122.444 119.914 -0.074 0.000 2.508 191 V HA 0.375 4.494 4.120 -0.001 0.000 0.281 191 V C 0.372 176.349 176.094 -0.196 0.000 1.041 191 V CA 0.406 62.530 62.300 -0.293 0.000 1.016 191 V CB 0.733 32.417 31.823 -0.233 0.000 0.984 191 V HN 0.392 nan 8.190 nan 0.000 0.478 192 K N 3.783 124.015 120.400 -0.279 0.000 2.685 192 K HA 0.428 4.747 4.320 -0.001 0.000 0.290 192 K C -2.947 173.457 176.600 -0.328 0.000 1.018 192 K CA -1.428 54.551 56.287 -0.513 0.000 0.860 192 K CB 1.068 33.121 32.500 -0.745 0.000 1.498 192 K HN 0.090 nan 8.250 nan 0.000 0.390 193 P HA -0.235 nan 4.420 nan 0.000 0.216 193 P C 1.222 178.483 177.300 -0.065 0.000 1.150 193 P CA 1.932 64.959 63.100 -0.121 0.000 0.837 193 P CB 0.044 31.714 31.700 -0.049 0.000 0.786 194 S N -2.075 113.579 115.700 -0.078 0.000 2.515 194 S HA -0.028 4.441 4.470 -0.001 0.000 0.231 194 S C 1.440 176.036 174.600 -0.007 0.000 0.987 194 S CA 0.741 58.927 58.200 -0.022 0.000 0.936 194 S CB -0.974 62.219 63.200 -0.011 0.000 0.766 194 S HN 0.034 nan 8.310 nan 0.000 0.528 195 N N 0.809 119.495 118.700 -0.024 0.000 2.214 195 N HA 0.403 5.142 4.740 -0.001 0.000 0.214 195 N C -0.799 174.733 175.510 0.036 0.000 1.132 195 N CA 0.031 53.098 53.050 0.029 0.000 0.856 195 N CB 0.393 38.920 38.487 0.067 0.000 1.020 195 N HN 0.500 nan 8.380 nan 0.000 0.509 196 I N 1.610 122.186 120.570 0.010 0.000 2.382 196 I HA 0.287 4.456 4.170 -0.001 0.000 0.285 196 I C -0.487 175.658 176.117 0.046 0.000 1.007 196 I CA -0.494 60.820 61.300 0.023 0.000 1.142 196 I CB 1.339 39.336 38.000 -0.004 0.000 1.289 196 I HN -0.306 nan 8.210 nan 0.000 0.453 197 L N 7.093 128.349 121.223 0.055 0.000 2.334 197 L HA 0.771 5.111 4.340 -0.001 0.000 0.275 197 L C -0.132 176.786 176.870 0.079 0.000 1.036 197 L CA -1.026 53.848 54.840 0.057 0.000 0.807 197 L CB 1.764 43.844 42.059 0.036 0.000 1.231 197 L HN 0.378 nan 8.230 nan 0.000 0.438 198 V N -0.679 119.301 119.914 0.109 0.000 3.102 198 V HA 0.787 4.907 4.120 -0.001 0.000 0.312 198 V C -1.112 175.054 176.094 0.120 0.000 1.135 198 V CA -0.647 61.769 62.300 0.194 0.000 1.022 198 V CB 2.044 34.106 31.823 0.399 0.000 1.056 198 V HN 0.974 nan 8.190 nan 0.000 0.436 199 N N -0.416 118.373 118.700 0.148 0.000 2.610 199 N HA 0.376 5.115 4.740 -0.001 0.000 0.264 199 N C 0.447 175.986 175.510 0.048 0.000 1.348 199 N CA -0.181 52.901 53.050 0.054 0.000 0.819 199 N CB 1.315 39.811 38.487 0.015 0.000 1.521 199 N HN 0.870 nan 8.380 nan 0.000 0.497 200 S N -0.420 115.284 115.700 0.008 0.000 2.500 200 S HA -0.110 4.360 4.470 -0.001 0.000 0.239 200 S C 1.054 175.664 174.600 0.016 0.000 0.989 200 S CA 0.531 58.726 58.200 -0.009 0.000 0.951 200 S CB -0.456 62.741 63.200 -0.006 0.000 0.759 200 S HN 0.624 nan 8.310 nan 0.000 0.523 201 R N 0.659 121.186 120.500 0.045 0.000 2.310 201 R HA 0.244 4.584 4.340 -0.001 0.000 0.202 201 R C 1.468 177.827 176.300 0.098 0.000 0.933 201 R CA 0.402 56.535 56.100 0.056 0.000 1.054 201 R CB -0.218 30.110 30.300 0.046 0.000 0.985 201 R HN 0.581 nan 8.270 nan 0.000 0.489 202 G N 1.513 110.410 108.800 0.161 0.000 2.136 202 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.242 202 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.242 202 G C -0.279 174.839 174.900 0.364 0.000 0.989 202 G CA -0.116 45.209 45.100 0.376 0.000 0.682 202 G HN 0.378 nan 8.290 nan 0.000 0.522 203 E N -0.645 119.681 120.200 0.211 0.000 2.313 203 E HA 0.651 5.000 4.350 -0.001 0.000 0.272 203 E C 0.128 176.788 176.600 0.100 0.000 1.038 203 E CA -0.421 56.031 56.400 0.087 0.000 0.863 203 E CB 1.288 30.992 29.700 0.007 0.000 1.060 203 E HN 0.359 nan 8.360 nan 0.000 0.402 204 I N 2.427 123.005 120.570 0.014 0.000 2.478 204 I HA 0.310 4.479 4.170 -0.001 0.000 0.287 204 I C -0.603 175.543 176.117 0.048 0.000 1.042 204 I CA -0.552 60.748 61.300 -0.001 0.000 1.067 204 I CB 1.329 39.243 38.000 -0.142 0.000 1.233 204 I HN 0.253 nan 8.210 nan 0.000 0.431 205 K N 6.323 126.751 120.400 0.046 0.000 2.477 205 K HA 0.682 5.001 4.320 -0.001 0.000 0.255 205 K C -1.271 175.382 176.600 0.088 0.000 0.952 205 K CA -0.880 55.444 56.287 0.062 0.000 0.826 205 K CB 2.940 35.444 32.500 0.008 0.000 1.331 205 K HN 0.379 nan 8.250 nan 0.000 0.437 206 L N 1.612 122.917 121.223 0.136 0.000 2.399 206 L HA 0.549 4.888 4.340 -0.001 0.000 0.266 206 L C 0.143 177.205 176.870 0.320 0.000 1.114 206 L CA -0.658 54.313 54.840 0.220 0.000 0.804 206 L CB 0.975 43.196 42.059 0.270 0.000 1.146 206 L HN 0.861 nan 8.230 nan 0.000 0.451 207 C N -1.259 118.261 119.300 0.366 0.000 3.291 207 C HA 0.543 5.002 4.460 -0.001 0.000 0.316 207 C C -0.665 174.433 174.990 0.180 0.000 1.391 207 C CA -0.795 58.361 59.018 0.230 0.000 1.394 207 C CB 1.761 29.555 27.740 0.089 0.000 1.744 207 C HN 0.934 nan 8.230 nan 0.000 0.461 208 D N 0.379 120.676 120.400 -0.170 0.000 2.746 208 D HA -0.141 4.498 4.640 -0.001 0.000 0.236 208 D C -0.505 175.614 176.300 -0.302 0.000 1.129 208 D CA 1.599 55.473 54.000 -0.211 0.000 0.691 208 D CB -1.500 39.291 40.800 -0.016 0.000 1.077 208 D HN 0.823 nan 8.370 nan 0.000 0.432 209 F N -0.857 118.834 119.950 -0.432 0.000 2.404 209 F HA 0.599 5.125 4.527 -0.001 0.000 0.358 209 F C 1.326 176.938 175.800 -0.314 0.000 1.120 209 F CA -1.317 56.253 58.000 -0.716 0.000 1.144 209 F CB 0.646 39.169 39.000 -0.796 0.000 1.133 209 F HN -0.047 nan 8.300 nan 0.000 0.495 210 G N 2.245 110.980 108.800 -0.107 0.000 2.109 210 G HA2 0.205 4.164 3.960 -0.001 0.000 0.249 210 G HA3 0.205 4.164 3.960 -0.001 0.000 0.249 210 G C 0.159 175.042 174.900 -0.028 0.000 1.126 210 G CA -0.129 44.930 45.100 -0.067 0.000 0.923 210 G HN 0.786 nan 8.290 nan 0.000 0.439 211 V N 1.836 121.699 119.914 -0.085 0.000 3.426 211 V HA 0.284 4.404 4.120 -0.001 0.000 0.271 211 V C 1.037 177.093 176.094 -0.062 0.000 1.530 211 V CA 0.957 63.222 62.300 -0.058 0.000 1.021 211 V CB 0.814 32.577 31.823 -0.100 0.000 0.824 211 V HN 0.759 nan 8.190 nan 0.000 0.432 212 S N -0.086 115.568 115.700 -0.078 0.000 2.594 212 S HA 0.509 4.978 4.470 -0.001 0.000 0.322 212 S C 1.248 175.822 174.600 -0.043 0.000 1.085 212 S CA 0.195 58.359 58.200 -0.061 0.000 1.116 212 S CB 1.305 64.458 63.200 -0.077 0.000 0.979 212 S HN 0.448 nan 8.310 nan 0.000 0.465 213 G N 3.203 111.988 108.800 -0.025 0.000 2.422 213 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.218 213 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.218 213 G C 1.214 176.103 174.900 -0.019 0.000 1.146 213 G CA 0.933 46.025 45.100 -0.013 0.000 0.769 213 G HN 0.651 nan 8.290 nan 0.000 0.547 214 Q N -0.029 119.756 119.800 -0.026 0.000 2.020 214 Q HA -0.054 4.285 4.340 -0.001 0.000 0.202 214 Q C 2.392 178.364 176.000 -0.046 0.000 0.982 214 Q CA 1.190 56.975 55.803 -0.030 0.000 0.838 214 Q CB -0.694 28.025 28.738 -0.031 0.000 0.899 214 Q HN 0.355 nan 8.270 nan 0.000 0.423 215 L N -0.048 121.138 121.223 -0.062 0.000 2.042 215 L HA -0.138 4.202 4.340 -0.001 0.000 0.210 215 L C 2.086 178.900 176.870 -0.093 0.000 1.076 215 L CA 1.694 56.478 54.840 -0.094 0.000 0.749 215 L CB -0.657 41.339 42.059 -0.105 0.000 0.893 215 L HN 0.399 nan 8.230 nan 0.000 0.432 216 I N -0.620 119.914 120.570 -0.059 0.000 2.142 216 I HA -0.307 3.862 4.170 -0.001 0.000 0.240 216 I C 2.168 178.278 176.117 -0.011 0.000 1.078 216 I CA 1.477 62.758 61.300 -0.032 0.000 1.343 216 I CB -0.480 37.514 38.000 -0.010 0.000 1.046 216 I HN 0.301 nan 8.210 nan 0.000 0.405 217 D N 0.666 121.062 120.400 -0.007 0.000 2.120 217 D HA -0.173 4.467 4.640 -0.001 0.000 0.191 217 D C 2.365 178.675 176.300 0.017 0.000 0.994 217 D CA 1.831 55.837 54.000 0.009 0.000 0.838 217 D CB -0.438 40.364 40.800 0.004 0.000 0.976 217 D HN 0.167 nan 8.370 nan 0.000 0.447 218 S N 0.078 115.773 115.700 -0.008 0.000 2.387 218 S HA -0.165 4.304 4.470 -0.001 0.000 0.230 218 S C 1.951 176.556 174.600 0.007 0.000 1.035 218 S CA 0.881 59.081 58.200 -0.001 0.000 1.014 218 S CB -0.171 63.004 63.200 -0.041 0.000 0.836 218 S HN 0.265 nan 8.310 nan 0.000 0.466 219 M N 0.789 120.335 119.600 -0.090 0.000 2.419 219 M HA 0.103 4.582 4.480 -0.001 0.000 0.264 219 M C 1.869 178.319 176.300 0.250 0.000 1.082 219 M CA 0.525 55.727 55.300 -0.163 0.000 1.119 219 M CB -0.209 32.196 32.600 -0.326 0.000 1.398 219 M HN 0.350 nan 8.290 nan 0.000 0.453 220 A N 0.831 123.736 122.820 0.142 0.000 2.259 220 A HA -0.111 4.209 4.320 -0.001 0.000 0.212 220 A C 1.340 179.023 177.584 0.166 0.000 1.178 220 A CA 0.922 53.043 52.037 0.140 0.000 0.734 220 A CB -0.772 18.275 19.000 0.078 0.000 0.774 220 A HN 0.521 nan 8.150 nan 0.000 0.481 221 N N -0.107 118.746 118.700 0.255 0.000 2.187 221 N HA -0.080 4.659 4.740 -0.001 0.000 0.191 221 N C 1.826 177.387 175.510 0.084 0.000 1.057 221 N CA 1.671 54.831 53.050 0.183 0.000 0.913 221 N CB -0.734 37.895 38.487 0.236 0.000 1.089 221 N HN 0.375 nan 8.380 nan 0.000 0.472 222 S N -0.078 115.576 115.700 -0.077 0.000 2.548 222 S HA 0.159 4.628 4.470 -0.001 0.000 0.215 222 S C -0.442 173.907 174.600 -0.417 0.000 0.976 222 S CA -0.176 57.810 58.200 -0.355 0.000 0.908 222 S CB -0.298 62.558 63.200 -0.574 0.000 0.781 222 S HN 0.209 nan 8.310 nan 0.000 0.519 223 F N 1.640 121.605 119.950 0.025 0.000 2.308 223 F HA 0.663 5.190 4.527 -0.001 0.000 0.370 223 F C -0.245 175.566 175.800 0.020 0.000 1.100 223 F CA -1.249 56.765 58.000 0.022 0.000 1.108 223 F CB 1.053 40.068 39.000 0.025 0.000 1.293 223 F HN -0.139 nan 8.300 nan 0.000 0.478 224 V N 3.235 123.236 119.914 0.145 0.000 2.488 224 V HA 0.775 4.894 4.120 -0.001 0.000 0.293 224 V C 0.136 176.277 176.094 0.078 0.000 1.027 224 V CA -0.405 61.956 62.300 0.102 0.000 0.862 224 V CB 1.226 33.092 31.823 0.071 0.000 1.008 224 V HN 0.843 nan 8.190 nan 0.000 0.428 225 G N 3.479 112.327 108.800 0.081 0.000 2.634 225 G HA2 0.355 4.315 3.960 -0.001 0.000 0.255 225 G HA3 0.355 4.315 3.960 -0.001 0.000 0.255 225 G C 0.224 175.166 174.900 0.070 0.000 1.205 225 G CA 0.121 45.266 45.100 0.074 0.000 0.884 225 G HN 0.816 nan 8.290 nan 0.000 0.549 226 T N -0.885 113.716 114.554 0.079 0.000 2.940 226 T HA 0.108 4.458 4.350 -0.001 0.000 0.309 226 T C 1.408 176.169 174.700 0.102 0.000 1.056 226 T CA 0.154 62.300 62.100 0.077 0.000 1.137 226 T CB 0.206 69.126 68.868 0.087 0.000 0.976 226 T HN 0.488 nan 8.240 nan 0.000 0.547 227 R N 2.101 122.638 120.500 0.062 0.000 2.397 227 R HA 0.099 4.438 4.340 -0.001 0.000 0.241 227 R C 2.309 178.649 176.300 0.065 0.000 0.914 227 R CA 0.440 56.580 56.100 0.066 0.000 1.071 227 R CB 0.186 30.505 30.300 0.033 0.000 1.116 227 R HN 0.738 nan 8.270 nan 0.000 0.524 228 S N -0.221 115.481 115.700 0.004 0.000 2.500 228 S HA -0.125 4.345 4.470 -0.001 0.000 0.239 228 S C 1.009 175.555 174.600 -0.089 0.000 0.989 228 S CA 0.782 58.911 58.200 -0.118 0.000 0.951 228 S CB -0.210 62.714 63.200 -0.460 0.000 0.759 228 S HN 0.390 nan 8.310 nan 0.000 0.523 229 Y N 0.502 120.935 120.300 0.222 0.000 2.481 229 Y HA 0.499 5.048 4.550 -0.001 0.000 0.247 229 Y C 0.904 176.997 175.900 0.321 0.000 1.151 229 Y CA -0.741 57.537 58.100 0.297 0.000 1.238 229 Y CB -0.055 38.526 38.460 0.202 0.000 1.179 229 Y HN 0.196 nan 8.280 nan 0.000 0.524 230 M N 1.100 120.870 119.600 0.282 0.000 2.238 230 M HA 0.116 4.596 4.480 -0.001 0.000 0.347 230 M C 0.763 177.000 176.300 -0.105 0.000 1.173 230 M CA -0.148 55.216 55.300 0.107 0.000 1.147 230 M CB 0.711 33.313 32.600 0.004 0.000 1.547 230 M HN 0.226 nan 8.290 nan 0.000 0.455 231 S N 3.070 118.576 115.700 -0.325 0.000 2.576 231 S HA 0.161 4.631 4.470 -0.001 0.000 0.272 231 S C -2.123 172.058 174.600 -0.698 0.000 1.352 231 S CA -1.114 56.514 58.200 -0.952 0.000 1.021 231 S CB 0.194 63.103 63.200 -0.486 0.000 0.887 231 S HN 0.462 nan 8.310 nan 0.000 0.542 232 P HA -0.171 nan 4.420 nan 0.000 0.215 232 P C 1.785 178.925 177.300 -0.267 0.000 1.153 232 P CA 1.478 64.288 63.100 -0.482 0.000 0.853 232 P CB -0.086 31.322 31.700 -0.485 0.000 0.788 233 E N 0.548 120.614 120.200 -0.222 0.000 2.077 233 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 233 E C 1.999 178.563 176.600 -0.059 0.000 0.989 233 E CA 1.259 57.614 56.400 -0.076 0.000 0.800 233 E CB -0.886 28.837 29.700 0.040 0.000 0.746 233 E HN 0.213 nan 8.360 nan 0.000 0.452 234 R N 0.328 120.760 120.500 -0.114 0.000 2.120 234 R HA 0.049 4.388 4.340 -0.001 0.000 0.234 234 R C 2.616 178.833 176.300 -0.138 0.000 1.123 234 R CA 1.060 57.059 56.100 -0.168 0.000 0.975 234 R CB -0.284 29.834 30.300 -0.302 0.000 0.866 234 R HN 0.249 nan 8.270 nan 0.000 0.446 235 L N 0.376 121.518 121.223 -0.134 0.000 2.465 235 L HA -0.113 4.226 4.340 -0.001 0.000 0.224 235 L C 1.367 178.200 176.870 -0.061 0.000 1.145 235 L CA 0.999 55.785 54.840 -0.091 0.000 0.834 235 L CB -0.008 41.995 42.059 -0.094 0.000 0.944 235 L HN 0.203 nan 8.230 nan 0.000 0.451 236 Q N -0.709 119.056 119.800 -0.059 0.000 2.172 236 Q HA 0.179 4.519 4.340 -0.001 0.000 0.217 236 Q C 1.225 177.218 176.000 -0.011 0.000 0.832 236 Q CA 0.302 56.086 55.803 -0.033 0.000 1.010 236 Q CB 1.022 29.738 28.738 -0.037 0.000 1.133 236 Q HN 0.434 nan 8.270 nan 0.000 0.489 237 G N 1.319 110.112 108.800 -0.010 0.000 2.244 237 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.274 237 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.274 237 G C 0.474 175.401 174.900 0.045 0.000 1.002 237 G CA 1.136 46.246 45.100 0.017 0.000 0.740 237 G HN 0.352 nan 8.290 nan 0.000 0.516 238 T N -1.078 113.504 114.554 0.046 0.000 2.865 238 T HA 0.447 4.797 4.350 -0.001 0.000 0.302 238 T C 0.741 175.529 174.700 0.146 0.000 1.078 238 T CA 0.088 62.234 62.100 0.077 0.000 0.942 238 T CB 0.455 69.353 68.868 0.050 0.000 1.387 238 T HN 0.621 nan 8.240 nan 0.000 0.557 239 H N -0.153 118.946 119.070 0.048 0.000 3.144 239 H HA -0.010 4.545 4.556 -0.001 0.000 0.336 239 H C -0.680 174.743 175.328 0.159 0.000 1.065 239 H CA 0.585 56.672 56.048 0.066 0.000 1.338 239 H CB -0.039 29.741 29.762 0.031 0.000 1.251 239 H HN 0.662 nan 8.280 nan 0.000 0.602 240 Y N 4.098 123.999 120.300 -0.664 0.000 2.241 240 Y HA 0.316 4.865 4.550 -0.001 0.000 0.320 240 Y C -1.578 174.079 175.900 -0.405 0.000 1.206 240 Y CA 0.168 58.022 58.100 -0.411 0.000 1.370 240 Y CB 0.056 38.438 38.460 -0.131 0.000 1.257 240 Y HN 0.906 nan 8.280 nan 0.000 0.403 241 S N 2.470 117.978 115.700 -0.320 0.000 3.137 241 S HA 0.369 4.839 4.470 -0.001 0.000 0.292 241 S C 0.444 175.068 174.600 0.040 0.000 1.041 241 S CA -0.043 58.033 58.200 -0.207 0.000 0.956 241 S CB 0.826 63.926 63.200 -0.166 0.000 1.360 241 S HN 0.824 nan 8.310 nan 0.000 0.690 242 V N 1.626 121.568 119.914 0.046 0.000 2.759 242 V HA -0.112 4.007 4.120 -0.001 0.000 0.256 242 V C 2.272 178.443 176.094 0.129 0.000 1.080 242 V CA 1.830 64.183 62.300 0.090 0.000 1.101 242 V CB -1.014 30.843 31.823 0.056 0.000 0.698 242 V HN 0.671 nan 8.190 nan 0.000 0.477 243 Q N -0.394 119.505 119.800 0.164 0.000 2.181 243 Q HA -0.161 4.178 4.340 -0.001 0.000 0.205 243 Q C 2.474 178.602 176.000 0.213 0.000 0.980 243 Q CA 1.912 57.829 55.803 0.190 0.000 0.862 243 Q CB -0.662 28.236 28.738 0.266 0.000 0.905 243 Q HN 0.632 nan 8.270 nan 0.000 0.429 244 S N 0.948 116.788 115.700 0.234 0.000 2.382 244 S HA -0.123 4.347 4.470 -0.001 0.000 0.228 244 S C 1.273 176.012 174.600 0.232 0.000 1.027 244 S CA 1.069 59.403 58.200 0.223 0.000 0.991 244 S CB -0.025 63.315 63.200 0.233 0.000 0.823 244 S HN 0.322 nan 8.310 nan 0.000 0.469 245 D N 1.079 121.598 120.400 0.199 0.000 2.178 245 D HA 0.023 4.662 4.640 -0.001 0.000 0.202 245 D C 1.742 178.119 176.300 0.129 0.000 0.974 245 D CA 0.670 54.765 54.000 0.159 0.000 0.841 245 D CB -0.231 40.651 40.800 0.137 0.000 0.953 245 D HN 0.396 nan 8.370 nan 0.000 0.478 246 I N 0.440 121.086 120.570 0.126 0.000 2.315 246 I HA -0.191 3.978 4.170 -0.001 0.000 0.248 246 I C 2.419 178.582 176.117 0.076 0.000 1.117 246 I CA 0.598 61.939 61.300 0.067 0.000 1.404 246 I CB -0.069 37.955 38.000 0.040 0.000 1.071 246 I HN 0.192 nan 8.210 nan 0.000 0.419 247 W N 1.836 123.133 121.300 -0.006 0.000 2.379 247 W HA -0.178 4.482 4.660 -0.001 0.000 0.307 247 W C 2.407 178.937 176.519 0.018 0.000 1.200 247 W CA 1.607 58.947 57.345 -0.008 0.000 1.297 247 W CB -0.579 28.890 29.460 0.016 0.000 1.140 247 W HN 0.039 nan 8.180 nan 0.000 0.507 248 S N 1.361 117.256 115.700 0.325 0.000 2.370 248 S HA -0.293 4.176 4.470 -0.001 0.000 0.226 248 S C 1.938 176.562 174.600 0.040 0.000 1.033 248 S CA 2.001 60.346 58.200 0.243 0.000 1.011 248 S CB -0.719 62.622 63.200 0.235 0.000 0.852 248 S HN 0.427 nan 8.310 nan 0.000 0.457 249 M N 1.465 121.064 119.600 -0.002 0.000 2.086 249 M HA -0.073 4.407 4.480 -0.001 0.000 0.261 249 M C 2.166 178.421 176.300 -0.075 0.000 1.067 249 M CA 1.846 57.127 55.300 -0.032 0.000 1.116 249 M CB -0.746 31.849 32.600 -0.008 0.000 1.348 249 M HN 0.389 nan 8.290 nan 0.000 0.407 250 G N 0.798 109.493 108.800 -0.175 0.000 2.440 250 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 250 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 250 G C 1.316 176.019 174.900 -0.328 0.000 1.154 250 G CA 1.041 45.970 45.100 -0.285 0.000 0.767 250 G HN 0.456 nan 8.290 nan 0.000 0.552 251 L N 1.119 122.106 121.223 -0.394 0.000 2.056 251 L HA 0.052 4.392 4.340 -0.001 0.000 0.207 251 L C 2.928 179.760 176.870 -0.063 0.000 1.078 251 L CA 2.223 56.871 54.840 -0.320 0.000 0.749 251 L CB -0.619 41.260 42.059 -0.301 0.000 0.901 251 L HN 0.173 nan 8.230 nan 0.000 0.433 252 S N -0.449 115.274 115.700 0.038 0.000 2.382 252 S HA -0.139 4.330 4.470 -0.001 0.000 0.228 252 S C 1.939 176.559 174.600 0.032 0.000 1.027 252 S CA 1.555 59.800 58.200 0.075 0.000 0.991 252 S CB -0.440 62.745 63.200 -0.025 0.000 0.823 252 S HN 0.433 nan 8.310 nan 0.000 0.469 253 L N 0.935 122.156 121.223 -0.003 0.000 2.056 253 L HA -0.072 4.268 4.340 -0.001 0.000 0.207 253 L C 2.333 179.184 176.870 -0.031 0.000 1.078 253 L CA 0.802 55.664 54.840 0.037 0.000 0.749 253 L CB -0.638 41.483 42.059 0.103 0.000 0.901 253 L HN 0.195 nan 8.230 nan 0.000 0.433 254 V N -0.007 119.816 119.914 -0.151 0.000 2.358 254 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 254 V C 2.487 178.524 176.094 -0.095 0.000 1.047 254 V CA 2.043 64.211 62.300 -0.220 0.000 1.035 254 V CB -0.487 31.159 31.823 -0.295 0.000 0.658 254 V HN 0.539 nan 8.190 nan 0.000 0.452 255 E N -0.029 120.147 120.200 -0.040 0.000 2.085 255 E HA -0.272 4.077 4.350 -0.001 0.000 0.194 255 E C 2.220 178.873 176.600 0.089 0.000 0.994 255 E CA 1.848 58.272 56.400 0.040 0.000 0.801 255 E CB -0.200 29.585 29.700 0.141 0.000 0.743 255 E HN 0.554 nan 8.360 nan 0.000 0.453 256 M N 0.153 119.809 119.600 0.094 0.000 2.175 256 M HA -0.090 4.389 4.480 -0.001 0.000 0.264 256 M C 2.398 178.793 176.300 0.159 0.000 1.063 256 M CA 1.392 56.767 55.300 0.125 0.000 1.119 256 M CB -0.046 32.622 32.600 0.113 0.000 1.377 256 M HN 0.255 nan 8.290 nan 0.000 0.415 257 A N -0.053 122.849 122.820 0.137 0.000 1.929 257 A HA -0.072 4.247 4.320 -0.001 0.000 0.216 257 A C 2.086 179.929 177.584 0.432 0.000 1.176 257 A CA 1.695 53.867 52.037 0.225 0.000 0.628 257 A CB -0.807 18.111 19.000 -0.136 0.000 0.816 257 A HN 0.436 nan 8.150 nan 0.000 0.444 258 V N -4.131 115.965 119.914 0.302 0.000 3.354 258 V HA 0.500 4.620 4.120 -0.001 0.000 0.258 258 V C 1.429 177.634 176.094 0.185 0.000 1.159 258 V CA 1.052 63.595 62.300 0.406 0.000 1.125 258 V CB -0.557 31.466 31.823 0.334 0.000 0.774 258 V HN 1.543 nan 8.190 nan 0.000 0.464 259 G N 0.907 109.792 108.800 0.143 0.000 2.132 259 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.234 259 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.234 259 G C 0.176 175.123 174.900 0.078 0.000 0.989 259 G CA 0.428 45.583 45.100 0.091 0.000 0.676 259 G HN 1.115 nan 8.290 nan 0.000 0.522 260 R N -1.517 119.036 120.500 0.089 0.000 2.629 260 R HA 0.444 4.784 4.340 -0.001 0.000 0.266 260 R C -0.741 175.618 176.300 0.099 0.000 1.051 260 R CA -0.960 55.195 56.100 0.091 0.000 0.895 260 R CB 0.569 30.906 30.300 0.061 0.000 1.246 260 R HN 0.525 nan 8.270 nan 0.000 0.459 261 Y N 5.811 126.117 120.300 0.011 0.000 2.745 261 Y HA 0.114 4.664 4.550 -0.001 0.000 0.335 261 Y C -1.555 174.312 175.900 -0.054 0.000 1.212 261 Y CA -1.147 56.939 58.100 -0.023 0.000 1.535 261 Y CB 0.947 39.370 38.460 -0.062 0.000 1.220 261 Y HN 0.492 nan 8.280 nan 0.000 0.531 262 P HA -0.020 nan 4.420 nan 0.000 0.239 262 P C -0.500 176.555 177.300 -0.408 0.000 1.184 262 P CA 1.101 63.976 63.100 -0.374 0.000 0.760 262 P CB 0.015 31.518 31.700 -0.330 0.000 0.884 263 I N 2.153 122.375 120.570 -0.580 0.000 2.436 263 I HA 0.339 4.508 4.170 -0.001 0.000 0.289 263 I C -2.234 173.753 176.117 -0.217 0.000 1.010 263 I CA -2.907 58.159 61.300 -0.390 0.000 1.098 263 I CB 2.444 40.242 38.000 -0.338 0.000 1.266 263 I HN -0.227 nan 8.210 nan 0.000 0.434 264 P HA 0.365 nan 4.420 nan 0.000 0.276 264 P C -2.724 174.437 177.300 -0.231 0.000 1.261 264 P CA -1.900 60.890 63.100 -0.516 0.000 0.800 264 P CB -0.311 31.059 31.700 -0.550 0.000 1.066 265 P HA 0.175 nan 4.420 nan 0.000 0.266 265 P C -2.297 174.982 177.300 -0.035 0.000 1.193 265 P CA -0.542 62.522 63.100 -0.061 0.000 0.770 265 P CB -1.341 30.359 31.700 0.000 0.000 0.836 266 P HA 0.174 nan 4.420 nan 0.000 0.274 266 P C -0.547 176.766 177.300 0.022 0.000 1.237 266 P CA 0.022 63.130 63.100 0.013 0.000 0.793 266 P CB 0.446 32.174 31.700 0.046 0.000 0.977 267 D N 0.103 120.517 120.400 0.025 0.000 2.312 267 D HA 0.189 4.829 4.640 -0.001 0.000 0.248 267 D C 1.232 177.553 176.300 0.035 0.000 1.086 267 D CA -0.373 53.642 54.000 0.026 0.000 0.948 267 D CB 0.833 41.645 40.800 0.020 0.000 1.162 267 D HN 0.246 nan 8.370 nan 0.000 0.446 268 A N 1.390 124.227 122.820 0.030 0.000 2.084 268 A HA -0.229 4.091 4.320 -0.001 0.000 0.221 268 A C 1.765 179.372 177.584 0.039 0.000 1.161 268 A CA 1.469 53.526 52.037 0.033 0.000 0.653 268 A CB -0.284 18.729 19.000 0.023 0.000 0.802 268 A HN 0.461 nan 8.150 nan 0.000 0.457 269 K N -0.504 119.916 120.400 0.033 0.000 2.116 269 K HA -0.075 4.244 4.320 -0.001 0.000 0.203 269 K C 1.860 178.482 176.600 0.036 0.000 1.052 269 K CA 1.269 57.575 56.287 0.030 0.000 0.952 269 K CB -0.119 32.393 32.500 0.021 0.000 0.729 269 K HN 0.669 nan 8.250 nan 0.000 0.446 270 E N 1.316 121.539 120.200 0.039 0.000 2.047 270 E HA -0.145 4.204 4.350 -0.001 0.000 0.191 270 E C 2.139 178.784 176.600 0.075 0.000 0.987 270 E CA 0.843 57.268 56.400 0.042 0.000 0.799 270 E CB -0.233 29.490 29.700 0.038 0.000 0.752 270 E HN 0.179 nan 8.360 nan 0.000 0.449 271 L N 1.281 122.573 121.223 0.114 0.000 2.079 271 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 271 L C 2.700 179.694 176.870 0.207 0.000 1.081 271 L CA 1.209 56.179 54.840 0.216 0.000 0.752 271 L CB -0.391 41.767 42.059 0.164 0.000 0.896 271 L HN 0.213 nan 8.230 nan 0.000 0.433 272 E N 0.534 120.801 120.200 0.112 0.000 2.106 272 E HA -0.203 4.146 4.350 -0.001 0.000 0.192 272 E C 2.202 178.840 176.600 0.063 0.000 0.984 272 E CA 1.069 57.520 56.400 0.084 0.000 0.806 272 E CB 0.045 29.775 29.700 0.050 0.000 0.750 272 E HN 0.533 nan 8.360 nan 0.000 0.458 273 L N -0.425 120.821 121.223 0.039 0.000 2.270 273 L HA -0.003 4.336 4.340 -0.001 0.000 0.210 273 L C 2.534 179.377 176.870 -0.045 0.000 1.104 273 L CA 0.347 55.188 54.840 0.002 0.000 0.804 273 L CB -0.252 41.804 42.059 -0.004 0.000 0.937 273 L HN 0.099 nan 8.230 nan 0.000 0.450 274 M N -0.636 118.928 119.600 -0.060 0.000 2.123 274 M HA -0.052 4.428 4.480 -0.001 0.000 0.263 274 M C 1.119 177.097 176.300 -0.538 0.000 1.069 274 M CA 2.059 57.177 55.300 -0.304 0.000 1.133 274 M CB 0.032 32.455 32.600 -0.296 0.000 1.356 274 M HN 0.144 nan 8.290 nan 0.000 0.415 275 F N -1.479 118.474 119.950 0.005 0.000 2.746 275 F HA 0.416 4.943 4.527 -0.001 0.000 0.320 275 F C 1.450 177.239 175.800 -0.019 0.000 1.097 275 F CA 0.196 58.186 58.000 -0.016 0.000 1.195 275 F CB 0.161 39.135 39.000 -0.043 0.000 1.056 275 F HN 0.287 nan 8.300 nan 0.000 0.562 276 G N 0.272 109.145 108.800 0.121 0.000 2.189 276 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.267 276 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.267 276 G C 0.202 175.147 174.900 0.075 0.000 0.975 276 G CA 0.202 45.346 45.100 0.072 0.000 0.644 276 G HN 0.970 nan 8.290 nan 0.000 0.537 308 M N 2.419 121.960 119.600 -0.099 0.000 2.269 308 M HA 0.427 4.907 4.480 -0.001 0.000 0.350 308 M C 0.509 176.676 176.300 -0.223 0.000 1.429 308 M CA 0.246 55.463 55.300 -0.139 0.000 1.063 308 M CB 0.465 32.990 32.600 -0.125 0.000 1.841 308 M HN 0.599 nan 8.290 nan 0.000 0.455 309 A N 4.498 127.105 122.820 -0.355 0.000 2.425 309 A HA 0.120 4.439 4.320 -0.001 0.000 0.242 309 A C 0.892 178.090 177.584 -0.644 0.000 1.077 309 A CA -0.507 51.160 52.037 -0.617 0.000 0.781 309 A CB 0.150 18.439 19.000 -1.185 0.000 1.020 309 A HN 1.031 nan 8.150 nan 0.000 0.494 310 I N 1.355 121.624 120.570 -0.502 0.000 2.145 310 I HA -0.312 3.857 4.170 -0.001 0.000 0.244 310 I C 1.900 177.895 176.117 -0.204 0.000 1.075 310 I CA 2.509 63.647 61.300 -0.271 0.000 1.332 310 I CB -0.714 37.216 38.000 -0.116 0.000 1.033 310 I HN 0.743 nan 8.210 nan 0.000 0.410 311 F N 0.423 120.373 119.950 -0.001 0.000 2.171 311 F HA -0.075 4.451 4.527 -0.001 0.000 0.300 311 F C 2.174 177.989 175.800 0.026 0.000 1.090 311 F CA 1.369 59.374 58.000 0.009 0.000 1.293 311 F CB -1.674 37.330 39.000 0.006 0.000 1.013 311 F HN 0.140 nan 8.300 nan 0.000 0.486 312 E N 0.941 121.062 120.200 -0.132 0.000 2.072 312 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 312 E C 2.131 178.758 176.600 0.045 0.000 0.985 312 E CA 1.151 57.560 56.400 0.016 0.000 0.801 312 E CB -0.432 29.223 29.700 -0.074 0.000 0.750 312 E HN 0.358 nan 8.360 nan 0.000 0.452 313 L N 1.355 122.552 121.223 -0.042 0.000 2.012 313 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 313 L C 2.002 178.934 176.870 0.105 0.000 1.073 313 L CA 1.676 56.528 54.840 0.019 0.000 0.748 313 L CB -0.516 41.512 42.059 -0.051 0.000 0.891 313 L HN 0.143 nan 8.230 nan 0.000 0.431 314 L N -0.651 120.614 121.223 0.071 0.000 2.083 314 L HA -0.216 4.123 4.340 -0.001 0.000 0.209 314 L C 2.295 179.221 176.870 0.093 0.000 1.083 314 L CA 1.707 56.595 54.840 0.080 0.000 0.752 314 L CB -0.769 41.328 42.059 0.064 0.000 0.899 314 L HN 0.385 nan 8.230 nan 0.000 0.433 315 D N -0.768 119.699 120.400 0.111 0.000 2.117 315 D HA -0.255 4.384 4.640 -0.001 0.000 0.198 315 D C 2.102 178.460 176.300 0.097 0.000 0.982 315 D CA 0.925 54.980 54.000 0.091 0.000 0.828 315 D CB -0.039 40.823 40.800 0.104 0.000 0.967 315 D HN 0.243 nan 8.370 nan 0.000 0.464 316 Y N 0.921 121.237 120.300 0.027 0.000 2.128 316 Y HA -0.166 4.383 4.550 -0.001 0.000 0.284 316 Y C 2.009 177.929 175.900 0.033 0.000 1.154 316 Y CA 1.623 59.739 58.100 0.027 0.000 1.149 316 Y CB -0.377 38.100 38.460 0.029 0.000 0.976 316 Y HN 0.041 nan 8.280 nan 0.000 0.505 317 I N -1.147 119.611 120.570 0.313 0.000 2.194 317 I HA -0.352 3.817 4.170 -0.001 0.000 0.246 317 I C 2.200 178.343 176.117 0.044 0.000 1.093 317 I CA 1.502 62.938 61.300 0.227 0.000 1.355 317 I CB -0.566 37.544 38.000 0.184 0.000 1.046 317 I HN 0.095 nan 8.210 nan 0.000 0.413 318 V N 0.844 120.753 119.914 -0.009 0.000 2.453 318 V HA -0.176 3.943 4.120 -0.001 0.000 0.247 318 V C 1.831 177.880 176.094 -0.074 0.000 1.048 318 V CA 1.705 63.965 62.300 -0.066 0.000 1.049 318 V CB -0.595 31.197 31.823 -0.052 0.000 0.672 318 V HN 0.464 nan 8.190 nan 0.000 0.457 319 N N -1.068 117.578 118.700 -0.089 0.000 2.388 319 N HA 0.063 4.802 4.740 -0.001 0.000 0.176 319 N C 0.719 176.118 175.510 -0.185 0.000 1.062 319 N CA 0.264 53.242 53.050 -0.121 0.000 0.895 319 N CB 0.445 38.870 38.487 -0.105 0.000 1.018 319 N HN 0.420 nan 8.380 nan 0.000 0.456 320 E N 1.038 121.061 120.200 -0.295 0.000 2.254 320 E HA 0.432 4.782 4.350 -0.001 0.000 0.261 320 E C -2.296 174.220 176.600 -0.141 0.000 1.051 320 E CA -2.128 54.052 56.400 -0.368 0.000 0.902 320 E CB 0.200 29.305 29.700 -0.991 0.000 1.168 320 E HN -0.051 nan 8.360 nan 0.000 0.423 321 P HA 0.159 nan 4.420 nan 0.000 0.275 321 P C -2.332 175.015 177.300 0.079 0.000 1.228 321 P CA -0.984 62.118 63.100 0.004 0.000 0.786 321 P CB -0.261 31.435 31.700 -0.007 0.000 0.927 322 P HA 0.120 nan 4.420 nan 0.000 0.269 322 P C -2.327 174.977 177.300 0.007 0.000 1.209 322 P CA -0.982 62.199 63.100 0.134 0.000 0.776 322 P CB -0.773 31.001 31.700 0.123 0.000 0.876 323 P HA 0.181 nan 4.420 nan 0.000 0.273 323 P C -0.456 176.738 177.300 -0.176 0.000 1.250 323 P CA 0.052 63.083 63.100 -0.116 0.000 0.793 323 P CB 0.651 32.236 31.700 -0.193 0.000 1.011 324 K N -0.516 119.781 120.400 -0.171 0.000 2.555 324 K HA 0.488 4.807 4.320 -0.001 0.000 0.279 324 K C -0.886 175.584 176.600 -0.217 0.000 0.986 324 K CA -1.058 55.104 56.287 -0.208 0.000 0.880 324 K CB 0.760 33.168 32.500 -0.153 0.000 1.474 324 K HN 0.193 nan 8.250 nan 0.000 0.433 325 L N 1.717 122.768 121.223 -0.288 0.000 2.436 325 L HA 0.347 4.686 4.340 -0.001 0.000 0.265 325 L C -1.875 174.923 176.870 -0.119 0.000 1.168 325 L CA -1.964 52.709 54.840 -0.278 0.000 0.815 325 L CB 0.424 42.179 42.059 -0.507 0.000 1.109 325 L HN 0.557 nan 8.230 nan 0.000 0.462 326 P HA 0.112 nan 4.420 nan 0.000 0.275 326 P C -0.850 176.428 177.300 -0.037 0.000 1.228 326 P CA -0.470 62.596 63.100 -0.056 0.000 0.786 326 P CB 1.019 32.639 31.700 -0.133 0.000 0.927 327 S N 0.349 116.016 115.700 -0.055 0.000 2.645 327 S HA 0.523 4.993 4.470 -0.001 0.000 0.266 327 S C 1.380 175.931 174.600 -0.081 0.000 1.258 327 S CA 0.207 58.380 58.200 -0.044 0.000 0.990 327 S CB 0.435 63.613 63.200 -0.036 0.000 0.967 327 S HN 0.893 nan 8.310 nan 0.000 0.556 328 G N -0.435 108.326 108.800 -0.066 0.000 2.498 328 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.229 328 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.229 328 G C 0.949 175.758 174.900 -0.153 0.000 1.156 328 G CA 0.936 45.983 45.100 -0.089 0.000 0.680 328 G HN 1.745 nan 8.290 nan 0.000 0.512 329 V N -2.325 117.417 119.914 -0.286 0.000 2.788 329 V HA 0.587 4.706 4.120 -0.001 0.000 0.251 329 V C 1.248 176.950 176.094 -0.653 0.000 1.068 329 V CA 1.277 63.250 62.300 -0.546 0.000 1.090 329 V CB -0.536 30.721 31.823 -0.943 0.000 0.710 329 V HN 0.372 nan 8.190 nan 0.000 0.467 330 F N 1.199 121.105 119.950 -0.073 0.000 2.556 330 F HA 0.695 5.222 4.527 -0.001 0.000 0.327 330 F C 0.872 176.695 175.800 0.039 0.000 1.059 330 F CA -0.549 57.472 58.000 0.034 0.000 0.953 330 F CB 1.578 40.623 39.000 0.076 0.000 1.227 330 F HN 0.039 nan 8.300 nan 0.000 0.478 331 S N 1.495 117.371 115.700 0.294 0.000 2.573 331 S HA 0.143 4.612 4.470 -0.001 0.000 0.277 331 S C 0.986 175.684 174.600 0.162 0.000 1.346 331 S CA -0.600 57.714 58.200 0.190 0.000 1.034 331 S CB 0.435 63.758 63.200 0.204 0.000 0.879 331 S HN 0.708 nan 8.310 nan 0.000 0.528 332 L N 1.162 122.452 121.223 0.111 0.000 2.131 332 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 332 L C 2.781 179.717 176.870 0.110 0.000 1.092 332 L CA 1.538 56.426 54.840 0.080 0.000 0.759 332 L CB -0.637 41.458 42.059 0.060 0.000 0.903 332 L HN 0.821 nan 8.230 nan 0.000 0.435 333 E N -0.490 119.812 120.200 0.170 0.000 2.072 333 E HA -0.237 4.112 4.350 -0.001 0.000 0.191 333 E C 2.013 178.756 176.600 0.238 0.000 0.985 333 E CA 1.111 57.675 56.400 0.273 0.000 0.801 333 E CB -0.113 29.784 29.700 0.328 0.000 0.750 333 E HN 0.303 nan 8.360 nan 0.000 0.452 334 F N 2.245 122.086 119.950 -0.183 0.000 2.146 334 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 334 F C 2.063 177.622 175.800 -0.403 0.000 1.096 334 F CA 1.541 59.086 58.000 -0.758 0.000 1.275 334 F CB -0.435 38.170 39.000 -0.658 0.000 1.008 334 F HN -0.058 nan 8.300 nan 0.000 0.480 335 Q N -0.450 119.200 119.800 -0.250 0.000 2.096 335 Q HA -0.267 4.073 4.340 -0.001 0.000 0.204 335 Q C 1.908 177.787 176.000 -0.201 0.000 0.982 335 Q CA 2.075 57.693 55.803 -0.308 0.000 0.850 335 Q CB -0.474 28.178 28.738 -0.142 0.000 0.901 335 Q HN 0.461 nan 8.270 nan 0.000 0.422 336 D N -0.198 120.181 120.400 -0.035 0.000 2.144 336 D HA -0.172 4.468 4.640 -0.001 0.000 0.200 336 D C 1.486 177.800 176.300 0.024 0.000 0.978 336 D CA 0.696 54.733 54.000 0.061 0.000 0.833 336 D CB -0.073 40.854 40.800 0.211 0.000 0.961 336 D HN 0.173 nan 8.370 nan 0.000 0.470 337 F N 0.746 120.538 119.950 -0.262 0.000 2.075 337 F HA -0.196 4.331 4.527 -0.001 0.000 0.297 337 F C 2.263 177.832 175.800 -0.384 0.000 1.113 337 F CA 2.074 59.725 58.000 -0.581 0.000 1.218 337 F CB -0.708 37.947 39.000 -0.574 0.000 0.984 337 F HN 0.020 nan 8.300 nan 0.000 0.472 338 V N -0.533 119.161 119.914 -0.368 0.000 2.343 338 V HA -0.257 3.862 4.120 -0.001 0.000 0.247 338 V C 2.138 177.993 176.094 -0.399 0.000 1.051 338 V CA 2.245 64.273 62.300 -0.454 0.000 1.036 338 V CB -1.221 30.276 31.823 -0.544 0.000 0.654 338 V HN 0.350 nan 8.190 nan 0.000 0.451 339 N N 1.215 119.730 118.700 -0.308 0.000 2.104 339 N HA -0.145 4.594 4.740 -0.001 0.000 0.190 339 N C 1.819 177.219 175.510 -0.184 0.000 1.024 339 N CA 2.083 55.005 53.050 -0.214 0.000 0.853 339 N CB -0.478 37.925 38.487 -0.140 0.000 1.008 339 N HN 0.600 nan 8.380 nan 0.000 0.424 340 K N -0.328 119.951 120.400 -0.201 0.000 2.283 340 K HA 0.053 4.372 4.320 -0.001 0.000 0.202 340 K C 1.753 178.230 176.600 -0.204 0.000 1.048 340 K CA 0.484 56.676 56.287 -0.159 0.000 0.948 340 K CB -0.008 32.423 32.500 -0.115 0.000 0.742 340 K HN 0.234 nan 8.250 nan 0.000 0.458 341 C N 0.310 119.413 119.300 -0.328 0.000 2.485 341 C HA 0.102 4.561 4.460 -0.001 0.000 0.277 341 C C 1.922 176.813 174.990 -0.166 0.000 1.376 341 C CA 0.211 59.053 59.018 -0.292 0.000 1.759 341 C CB -0.332 27.145 27.740 -0.439 0.000 1.970 341 C HN 0.364 nan 8.230 nan 0.000 0.509 342 L N 0.261 121.357 121.223 -0.212 0.000 2.667 342 L HA 0.292 4.631 4.340 -0.001 0.000 0.232 342 L C 0.149 177.096 176.870 0.128 0.000 1.138 342 L CA 0.053 54.774 54.840 -0.199 0.000 0.921 342 L CB -0.178 41.596 42.059 -0.476 0.000 1.180 342 L HN 0.239 nan 8.230 nan 0.000 0.487 343 I N 1.200 121.825 120.570 0.092 0.000 2.664 343 I HA -0.097 4.072 4.170 -0.001 0.000 0.284 343 I C 1.461 177.684 176.117 0.176 0.000 1.154 343 I CA 0.165 61.525 61.300 0.100 0.000 1.402 343 I CB 0.631 38.651 38.000 0.032 0.000 1.395 343 I HN 0.201 nan 8.210 nan 0.000 0.545 344 K N 3.805 124.302 120.400 0.161 0.000 2.089 344 K HA -0.205 4.114 4.320 -0.001 0.000 0.210 344 K C 0.905 177.497 176.600 -0.013 0.000 1.048 344 K CA 1.113 57.439 56.287 0.065 0.000 0.926 344 K CB -0.400 32.109 32.500 0.015 0.000 0.714 344 K HN 0.548 nan 8.250 nan 0.000 0.448 345 N N 2.137 120.831 118.700 -0.010 0.000 2.405 345 N HA 0.001 4.740 4.740 -0.001 0.000 0.260 345 N C -1.826 173.651 175.510 -0.055 0.000 1.152 345 N CA -1.743 51.279 53.050 -0.047 0.000 0.948 345 N CB 1.134 39.595 38.487 -0.043 0.000 1.111 345 N HN -0.094 nan 8.380 nan 0.000 0.485 346 P HA -0.125 nan 4.420 nan 0.000 0.221 346 P C 0.718 177.927 177.300 -0.150 0.000 1.145 346 P CA 0.903 63.930 63.100 -0.122 0.000 0.795 346 P CB 0.243 31.777 31.700 -0.276 0.000 0.775 347 A N 0.507 123.224 122.820 -0.173 0.000 1.929 347 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 347 A C 2.185 179.733 177.584 -0.059 0.000 1.176 347 A CA 1.301 53.266 52.037 -0.121 0.000 0.628 347 A CB -0.970 17.963 19.000 -0.112 0.000 0.816 347 A HN 0.164 nan 8.150 nan 0.000 0.444 348 E N -0.620 119.552 120.200 -0.046 0.000 2.170 348 E HA -0.017 4.333 4.350 -0.001 0.000 0.191 348 E C 1.154 177.746 176.600 -0.013 0.000 0.981 348 E CA -0.237 56.149 56.400 -0.024 0.000 0.830 348 E CB -0.016 29.672 29.700 -0.020 0.000 0.775 348 E HN 0.476 nan 8.360 nan 0.000 0.470 349 R N 1.428 121.924 120.500 -0.007 0.000 2.640 349 R HA 0.093 4.432 4.340 -0.001 0.000 0.270 349 R C -0.336 175.962 176.300 -0.002 0.000 1.024 349 R CA -0.038 56.066 56.100 0.006 0.000 1.085 349 R CB 0.412 30.738 30.300 0.043 0.000 0.963 349 R HN -0.014 nan 8.270 nan 0.000 0.426 350 A N 3.531 126.338 122.820 -0.021 0.000 2.466 350 A HA 0.051 4.371 4.320 -0.001 0.000 0.238 350 A C -0.394 177.187 177.584 -0.004 0.000 1.074 350 A CA -0.002 52.026 52.037 -0.016 0.000 0.774 350 A CB 0.168 19.143 19.000 -0.042 0.000 1.015 350 A HN 0.876 nan 8.150 nan 0.000 0.498 351 D N 0.141 120.549 120.400 0.013 0.000 2.442 351 D HA 0.398 5.037 4.640 -0.001 0.000 0.254 351 D C 0.930 177.246 176.300 0.027 0.000 1.069 351 D CA -0.748 53.267 54.000 0.025 0.000 1.017 351 D CB 0.272 41.091 40.800 0.031 0.000 1.172 351 D HN 0.248 nan 8.370 nan 0.000 0.561 352 L N -0.593 120.649 121.223 0.031 0.000 2.013 352 L HA -0.229 4.110 4.340 -0.001 0.000 0.212 352 L C 2.487 179.382 176.870 0.041 0.000 1.073 352 L CA 1.933 56.793 54.840 0.034 0.000 0.753 352 L CB -0.560 41.515 42.059 0.027 0.000 0.890 352 L HN 0.565 nan 8.230 nan 0.000 0.432 353 K N 0.041 120.462 120.400 0.035 0.000 2.057 353 K HA -0.223 4.097 4.320 -0.001 0.000 0.207 353 K C 2.098 178.730 176.600 0.053 0.000 1.049 353 K CA 1.504 57.812 56.287 0.036 0.000 0.931 353 K CB -0.033 32.482 32.500 0.026 0.000 0.714 353 K HN 0.338 nan 8.250 nan 0.000 0.440 354 Q N 0.306 120.140 119.800 0.058 0.000 2.079 354 Q HA -0.075 4.265 4.340 -0.001 0.000 0.200 354 Q C 2.237 178.321 176.000 0.139 0.000 0.974 354 Q CA 1.396 57.247 55.803 0.080 0.000 0.840 354 Q CB -0.061 28.716 28.738 0.065 0.000 0.898 354 Q HN 0.325 nan 8.270 nan 0.000 0.430 355 L N -0.181 121.121 121.223 0.133 0.000 2.083 355 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 355 L C 2.435 179.464 176.870 0.266 0.000 1.083 355 L CA 0.672 55.649 54.840 0.228 0.000 0.752 355 L CB -0.261 41.882 42.059 0.140 0.000 0.899 355 L HN 0.326 nan 8.230 nan 0.000 0.433 356 M N -0.112 119.575 119.600 0.146 0.000 2.202 356 M HA -0.129 4.351 4.480 -0.001 0.000 0.262 356 M C 1.637 177.989 176.300 0.086 0.000 1.063 356 M CA 1.569 56.922 55.300 0.089 0.000 1.097 356 M CB -0.141 32.484 32.600 0.042 0.000 1.382 356 M HN 0.194 nan 8.290 nan 0.000 0.413 357 V N -3.166 116.814 119.914 0.110 0.000 3.483 357 V HA 0.196 4.315 4.120 -0.001 0.000 0.301 357 V C 0.848 177.015 176.094 0.122 0.000 1.389 357 V CA -0.552 61.798 62.300 0.084 0.000 1.101 357 V CB -1.471 30.380 31.823 0.048 0.000 0.971 357 V HN 0.314 nan 8.190 nan 0.000 0.434 358 H N 1.322 120.466 119.070 0.124 0.000 2.871 358 H HA 0.347 4.902 4.556 -0.001 0.000 0.355 358 H C 1.542 176.954 175.328 0.139 0.000 1.092 358 H CA 0.794 56.951 56.048 0.181 0.000 1.420 358 H CB 2.014 31.999 29.762 0.371 0.000 1.400 358 H HN 0.304 nan 8.280 nan 0.000 0.604 359 A N 5.400 128.138 122.820 -0.137 0.000 1.927 359 A HA -0.272 4.048 4.320 -0.001 0.000 0.220 359 A C 2.192 179.918 177.584 0.236 0.000 1.185 359 A CA 1.719 53.773 52.037 0.028 0.000 0.639 359 A CB -0.908 18.058 19.000 -0.056 0.000 0.820 359 A HN 0.759 nan 8.150 nan 0.000 0.451 360 F N 0.552 120.753 119.950 0.418 0.000 2.134 360 F HA -0.137 4.390 4.527 -0.001 0.000 0.299 360 F C 1.934 177.671 175.800 -0.104 0.000 1.097 360 F CA 1.227 59.293 58.000 0.109 0.000 1.264 360 F CB -0.109 38.883 39.000 -0.014 0.000 1.001 360 F HN 0.146 nan 8.300 nan 0.000 0.479 361 I N 0.658 121.133 120.570 -0.158 0.000 2.202 361 I HA -0.241 3.929 4.170 -0.001 0.000 0.242 361 I C 2.260 178.240 176.117 -0.230 0.000 1.091 361 I CA 1.316 62.428 61.300 -0.314 0.000 1.368 361 I CB -1.307 36.642 38.000 -0.085 0.000 1.058 361 I HN 0.178 nan 8.210 nan 0.000 0.410 362 K N 0.224 120.568 120.400 -0.093 0.000 2.026 362 K HA -0.197 4.122 4.320 -0.001 0.000 0.208 362 K C 2.243 178.773 176.600 -0.117 0.000 1.048 362 K CA 1.157 57.396 56.287 -0.080 0.000 0.929 362 K CB -0.234 32.248 32.500 -0.029 0.000 0.713 362 K HN 0.227 nan 8.250 nan 0.000 0.439 363 R N 1.025 121.451 120.500 -0.124 0.000 2.070 363 R HA -0.118 4.222 4.340 -0.001 0.000 0.233 363 R C 2.355 178.524 176.300 -0.218 0.000 1.137 363 R CA 1.869 57.891 56.100 -0.130 0.000 0.945 363 R CB -0.147 30.108 30.300 -0.076 0.000 0.845 363 R HN 0.052 nan 8.270 nan 0.000 0.430 364 S N 0.852 116.315 115.700 -0.396 0.000 2.359 364 S HA -0.173 4.297 4.470 -0.001 0.000 0.224 364 S C 1.434 175.860 174.600 -0.291 0.000 1.035 364 S CA 1.590 59.519 58.200 -0.453 0.000 1.018 364 S CB -0.456 62.272 63.200 -0.787 0.000 0.876 364 S HN 0.413 nan 8.310 nan 0.000 0.448 365 D N 1.351 121.600 120.400 -0.251 0.000 2.149 365 D HA -0.044 4.596 4.640 -0.001 0.000 0.198 365 D C 1.836 178.067 176.300 -0.115 0.000 0.990 365 D CA 1.242 55.143 54.000 -0.165 0.000 0.839 365 D CB -0.266 40.455 40.800 -0.131 0.000 0.948 365 D HN 0.371 nan 8.370 nan 0.000 0.460 366 A N -0.023 122.732 122.820 -0.108 0.000 2.167 366 A HA 0.016 4.335 4.320 -0.001 0.000 0.214 366 A C 0.921 178.463 177.584 -0.071 0.000 1.151 366 A CA 0.196 52.189 52.037 -0.074 0.000 0.735 366 A CB -0.164 18.800 19.000 -0.060 0.000 0.802 366 A HN 0.190 nan 8.150 nan 0.000 0.467 367 E N 1.135 121.277 120.200 -0.096 0.000 2.354 367 E HA 0.171 4.521 4.350 -0.001 0.000 0.269 367 E C -0.660 175.902 176.600 -0.062 0.000 1.036 367 E CA -0.222 56.129 56.400 -0.082 0.000 0.876 367 E CB 0.480 30.113 29.700 -0.111 0.000 1.009 367 E HN 0.169 nan 8.360 nan 0.000 0.416 368 E N 2.467 122.644 120.200 -0.038 0.000 1.986 368 E HA 0.170 4.519 4.350 -0.001 0.000 0.264 368 E C -1.082 175.512 176.600 -0.009 0.000 1.023 368 E CA -0.266 56.123 56.400 -0.019 0.000 0.834 368 E CB 0.765 30.460 29.700 -0.008 0.000 1.111 368 E HN 0.133 nan 8.360 nan 0.000 0.417 369 V N 2.379 122.288 119.914 -0.008 0.000 2.398 369 V HA 0.089 4.209 4.120 -0.001 0.000 0.286 369 V C 0.265 176.400 176.094 0.068 0.000 1.026 369 V CA -0.913 61.395 62.300 0.013 0.000 0.868 369 V CB 1.747 33.555 31.823 -0.025 0.000 0.982 369 V HN 0.364 nan 8.190 nan 0.000 0.443 370 D N 3.403 123.855 120.400 0.086 0.000 2.517 370 D HA 0.081 4.721 4.640 -0.001 0.000 0.220 370 D C 0.781 177.187 176.300 0.176 0.000 1.158 370 D CA -0.253 53.814 54.000 0.111 0.000 0.992 370 D CB 0.099 40.948 40.800 0.082 0.000 1.058 370 D HN 0.410 nan 8.370 nan 0.000 0.516 371 F N 3.431 123.421 119.950 0.066 0.000 2.102 371 F HA -0.126 4.401 4.527 -0.001 0.000 0.298 371 F C 2.025 177.944 175.800 0.198 0.000 1.105 371 F CA 1.656 59.724 58.000 0.114 0.000 1.239 371 F CB -0.334 38.694 39.000 0.046 0.000 0.991 371 F HN 0.344 nan 8.300 nan 0.000 0.474 372 A N 0.401 123.201 122.820 -0.035 0.000 1.908 372 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 372 A C 2.528 180.039 177.584 -0.122 0.000 1.181 372 A CA 1.862 53.817 52.037 -0.135 0.000 0.627 372 A CB -1.831 17.171 19.000 0.003 0.000 0.818 372 A HN 0.531 nan 8.150 nan 0.000 0.445 373 G N -1.628 107.156 108.800 -0.026 0.000 2.421 373 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.216 373 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.216 373 G C 1.424 176.310 174.900 -0.022 0.000 1.171 373 G CA 1.097 46.189 45.100 -0.014 0.000 0.775 373 G HN 0.735 nan 8.290 nan 0.000 0.543 374 W N 0.967 122.183 121.300 -0.140 0.000 2.335 374 W HA -0.066 4.593 4.660 -0.001 0.000 0.311 374 W C 2.190 178.594 176.519 -0.192 0.000 1.213 374 W CA 1.484 58.754 57.345 -0.125 0.000 1.274 374 W CB -0.397 29.020 29.460 -0.072 0.000 1.148 374 W HN 0.162 nan 8.180 nan 0.000 0.498 375 L N 0.952 122.041 121.223 -0.223 0.000 1.994 375 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 375 L C 2.411 179.026 176.870 -0.425 0.000 1.071 375 L CA 2.509 57.065 54.840 -0.474 0.000 0.745 375 L CB -1.483 40.262 42.059 -0.522 0.000 0.892 375 L HN 0.172 nan 8.230 nan 0.000 0.431 376 C N -0.391 118.740 119.300 -0.281 0.000 2.413 376 C HA -0.156 4.304 4.460 -0.001 0.000 0.276 376 C C 3.115 177.973 174.990 -0.219 0.000 1.248 376 C CA 1.210 60.108 59.018 -0.200 0.000 1.742 376 C CB -1.414 26.250 27.740 -0.127 0.000 2.017 376 C HN 0.811 nan 8.230 nan 0.000 0.481 377 S N 0.018 115.566 115.700 -0.253 0.000 2.406 377 S HA -0.143 4.326 4.470 -0.001 0.000 0.228 377 S C 1.543 175.952 174.600 -0.317 0.000 1.020 377 S CA 1.912 59.971 58.200 -0.236 0.000 0.965 377 S CB -0.904 62.182 63.200 -0.191 0.000 0.798 377 S HN 0.628 nan 8.310 nan 0.000 0.488 378 T N 3.367 117.601 114.554 -0.533 0.000 2.777 378 T HA 0.105 4.454 4.350 -0.001 0.000 0.266 378 T C 1.743 176.231 174.700 -0.353 0.000 1.040 378 T CA 1.548 63.296 62.100 -0.588 0.000 1.141 378 T CB -0.499 67.665 68.868 -1.173 0.000 0.868 378 T HN 0.755 nan 8.240 nan 0.000 0.444 379 I N -1.589 118.796 120.570 -0.308 0.000 3.883 379 I HA 0.507 4.676 4.170 -0.001 0.000 0.326 379 I C 1.224 177.264 176.117 -0.128 0.000 1.283 379 I CA 0.061 61.253 61.300 -0.180 0.000 1.161 379 I CB -0.249 37.666 38.000 -0.141 0.000 1.012 379 I HN 0.265 nan 8.210 nan 0.000 0.421 380 G N 2.641 111.356 108.800 -0.141 0.000 2.248 380 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.263 380 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.263 380 G C -0.145 174.710 174.900 -0.075 0.000 1.082 380 G CA -0.070 44.971 45.100 -0.098 0.000 0.863 380 G HN 0.416 nan 8.290 nan 0.000 0.495 381 L N 0.383 121.554 121.223 -0.086 0.000 2.360 381 L HA 0.568 4.907 4.340 -0.001 0.000 0.276 381 L C 0.797 177.640 176.870 -0.045 0.000 1.121 381 L CA 0.901 55.706 54.840 -0.058 0.000 0.845 381 L CB 0.648 42.668 42.059 -0.066 0.000 1.143 381 L HN 0.834 nan 8.230 nan 0.000 0.452 382 N N 0.000 118.685 118.700 -0.025 0.000 1.763 382 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 382 N CA 0.000 53.039 53.050 -0.017 0.000 0.885 382 N CB 0.000 nan 38.487 nan 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667