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 3chh_1_B DATA FIRST_RESID 24 DATA SEQUENCE GSATLGRLVR AWPRRAAVVN KADILDEWAD YDTLVPDYPL EIVPFAEHPL DATA SEQUENCE FLAAEPHQRQ RVLTGMWIGY NERVIATEQL IAEPAFDLVM HGVFPGSDDP DATA SEQUENCE LIRKSVQQAI VDESFHTYMH MLAIDRTREL RKISERPPQP ELVTYRRLRR DATA SEQUENCE VLADMPEQWE RDIAVLVWGA VAETCINALL ALLARDATIQ PMHSLITTLH DATA SEQUENCE LRDETAHGSI VVEVVRELYA RMNEQQRRAL VRCLPIALEA FAEQDLSALL DATA SEQUENCE LELNAAGIRG AEEIVGDLXX XXXXXXLVRD FSGARKMVEQ LGLDDAVDFD DATA SEQUENCE FPERPDW 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 24 G HA2 0.000 nan 3.960 nan 0.000 0.244 24 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 24 G C 0.000 174.907 174.900 0.012 0.000 0.946 24 G CA 0.000 45.107 45.100 0.011 0.000 0.502 25 S N 0.501 116.210 115.700 0.014 0.000 2.673 25 S HA 0.331 4.800 4.470 -0.001 0.000 0.308 25 S C 1.838 176.447 174.600 0.015 0.000 1.246 25 S CA 0.857 59.066 58.200 0.015 0.000 1.077 25 S CB 0.561 63.771 63.200 0.017 0.000 0.814 25 S HN 1.867 nan 8.310 nan 0.000 0.503 26 A N 5.158 127.987 122.820 0.016 0.000 1.969 26 A HA -0.002 4.317 4.320 -0.001 0.000 0.218 26 A C 2.274 179.871 177.584 0.021 0.000 1.169 26 A CA 1.959 54.006 52.037 0.017 0.000 0.635 26 A CB -1.267 17.742 19.000 0.016 0.000 0.810 26 A HN 0.858 nan 8.150 nan 0.000 0.445 27 T N 0.304 114.871 114.554 0.022 0.000 2.643 27 T HA -0.111 4.238 4.350 -0.001 0.000 0.264 27 T C 1.787 176.506 174.700 0.031 0.000 1.045 27 T CA 1.469 63.586 62.100 0.028 0.000 1.155 27 T CB -0.362 68.522 68.868 0.028 0.000 0.863 27 T HN 0.202 nan 8.240 nan 0.000 0.420 28 L N 1.402 122.640 121.223 0.025 0.000 1.990 28 L HA -0.051 4.288 4.340 -0.001 0.000 0.213 28 L C 2.803 179.684 176.870 0.018 0.000 1.072 28 L CA 2.039 56.890 54.840 0.018 0.000 0.755 28 L CB -1.585 40.479 42.059 0.009 0.000 0.889 28 L HN 0.397 nan 8.230 nan 0.000 0.432 29 G N -1.166 107.645 108.800 0.018 0.000 2.491 29 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.218 29 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.218 29 G C 1.826 176.745 174.900 0.031 0.000 1.180 29 G CA 1.023 46.135 45.100 0.020 0.000 0.774 29 G HN 0.404 nan 8.290 nan 0.000 0.562 30 R N 0.041 120.562 120.500 0.035 0.000 2.081 30 R HA 0.071 4.410 4.340 -0.001 0.000 0.235 30 R C 2.571 178.908 176.300 0.063 0.000 1.131 30 R CA 1.149 57.275 56.100 0.044 0.000 0.960 30 R CB -0.392 29.932 30.300 0.040 0.000 0.856 30 R HN 0.406 nan 8.270 nan 0.000 0.436 31 L N 0.342 121.605 121.223 0.066 0.000 2.093 31 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 31 L C 2.437 179.377 176.870 0.117 0.000 1.085 31 L CA 0.710 55.607 54.840 0.096 0.000 0.755 31 L CB -0.213 41.899 42.059 0.088 0.000 0.904 31 L HN 0.081 nan 8.230 nan 0.000 0.435 32 V N -0.174 119.782 119.914 0.070 0.000 2.358 32 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 32 V C 2.536 178.701 176.094 0.118 0.000 1.047 32 V CA 1.702 64.036 62.300 0.057 0.000 1.035 32 V CB -0.507 31.315 31.823 -0.002 0.000 0.658 32 V HN 0.413 nan 8.190 nan 0.000 0.452 33 R N -0.028 120.528 120.500 0.094 0.000 2.148 33 R HA 0.054 4.393 4.340 -0.001 0.000 0.223 33 R C 2.155 178.521 176.300 0.111 0.000 1.088 33 R CA 1.135 57.291 56.100 0.093 0.000 0.985 33 R CB -0.327 30.009 30.300 0.059 0.000 0.880 33 R HN 0.509 nan 8.270 nan 0.000 0.451 34 A N -0.105 122.788 122.820 0.121 0.000 2.178 34 A HA -0.098 4.221 4.320 -0.001 0.000 0.211 34 A C 1.597 179.267 177.584 0.142 0.000 1.157 34 A CA -0.049 52.052 52.037 0.106 0.000 0.780 34 A CB -0.503 18.549 19.000 0.087 0.000 0.828 34 A HN 0.526 nan 8.150 nan 0.000 0.476 35 W N 2.038 123.346 121.300 0.014 0.000 2.304 35 W HA -0.179 4.480 4.660 -0.002 0.000 0.315 35 W C -1.266 175.255 176.519 0.004 0.000 1.233 35 W CA 2.791 60.145 57.345 0.015 0.000 1.261 35 W CB -1.199 28.266 29.460 0.009 0.000 1.150 35 W HN 0.272 nan 8.180 nan 0.000 0.494 36 P HA -0.186 nan 4.420 nan 0.000 0.218 36 P C 1.079 178.217 177.300 -0.270 0.000 1.148 36 P CA 2.389 65.295 63.100 -0.324 0.000 0.822 36 P CB -0.198 31.451 31.700 -0.086 0.000 0.784 37 R N -1.378 119.036 120.500 -0.142 0.000 2.200 37 R HA 0.114 4.453 4.340 -0.001 0.000 0.208 37 R C 2.393 178.628 176.300 -0.109 0.000 1.033 37 R CA 0.464 56.502 56.100 -0.103 0.000 1.000 37 R CB -0.181 30.095 30.300 -0.041 0.000 0.906 37 R HN 0.136 nan 8.270 nan 0.000 0.462 38 R N 0.946 121.372 120.500 -0.124 0.000 2.123 38 R HA 0.207 4.546 4.340 -0.001 0.000 0.209 38 R C 0.213 176.444 176.300 -0.115 0.000 1.078 38 R CA 0.335 56.393 56.100 -0.069 0.000 1.028 38 R CB 0.288 30.599 30.300 0.019 0.000 0.939 38 R HN 0.080 nan 8.270 nan 0.000 0.463 39 A N 0.789 123.425 122.820 -0.307 0.000 2.546 39 A HA 0.246 4.565 4.320 -0.001 0.000 0.243 39 A C 1.220 178.684 177.584 -0.199 0.000 1.063 39 A CA 0.695 52.539 52.037 -0.323 0.000 0.757 39 A CB 0.475 18.936 19.000 -0.899 0.000 0.991 39 A HN 0.509 nan 8.150 nan 0.000 0.503 40 A N 3.033 125.855 122.820 0.003 0.000 1.908 40 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 40 A C 2.143 179.575 177.584 -0.254 0.000 1.181 40 A CA 1.950 54.040 52.037 0.088 0.000 0.627 40 A CB -0.952 18.308 19.000 0.434 0.000 0.818 40 A HN 1.537 nan 8.150 nan 0.000 0.445 41 V N -0.212 119.341 119.914 -0.601 0.000 2.392 41 V HA -0.215 3.904 4.120 -0.001 0.000 0.249 41 V C 2.386 178.050 176.094 -0.717 0.000 1.059 41 V CA 2.497 64.035 62.300 -1.269 0.000 1.051 41 V CB -0.320 31.032 31.823 -0.785 0.000 0.658 41 V HN 0.354 nan 8.190 nan 0.000 0.455 42 V N 0.358 119.968 119.914 -0.507 0.000 2.488 42 V HA -0.104 4.015 4.120 -0.001 0.000 0.246 42 V C 2.262 178.206 176.094 -0.250 0.000 1.046 42 V CA 2.061 64.135 62.300 -0.376 0.000 1.053 42 V CB -0.783 30.781 31.823 -0.431 0.000 0.679 42 V HN 0.564 nan 8.190 nan 0.000 0.458 43 N N 0.118 118.692 118.700 -0.210 0.000 2.376 43 N HA -0.020 4.719 4.740 -0.001 0.000 0.177 43 N C 1.206 176.693 175.510 -0.040 0.000 1.024 43 N CA 0.771 53.758 53.050 -0.104 0.000 0.893 43 N CB 0.181 38.627 38.487 -0.069 0.000 0.980 43 N HN 0.231 nan 8.380 nan 0.000 0.439 44 K N 0.128 120.517 120.400 -0.018 0.000 3.320 44 K HA 0.404 4.723 4.320 -0.001 0.000 0.194 44 K C 0.181 176.908 176.600 0.211 0.000 1.085 44 K CA -0.234 56.118 56.287 0.108 0.000 0.901 44 K CB -0.129 32.477 32.500 0.176 0.000 0.765 44 K HN -0.076 nan 8.250 nan 0.000 0.480 45 A N 0.632 123.476 122.820 0.040 0.000 1.978 45 A HA -0.141 4.178 4.320 -0.001 0.000 0.220 45 A C 1.104 178.863 177.584 0.292 0.000 1.170 45 A CA 1.873 53.970 52.037 0.099 0.000 0.636 45 A CB -0.386 18.568 19.000 -0.076 0.000 0.810 45 A HN 0.559 nan 8.150 nan 0.000 0.448 46 D N -0.276 120.248 120.400 0.206 0.000 2.519 46 D HA 0.041 4.681 4.640 -0.001 0.000 0.238 46 D C 0.990 177.442 176.300 0.253 0.000 1.192 46 D CA -0.283 53.843 54.000 0.211 0.000 0.835 46 D CB -0.510 40.370 40.800 0.132 0.000 0.975 46 D HN 0.303 nan 8.370 nan 0.000 0.490 47 I N 0.261 121.034 120.570 0.338 0.000 2.315 47 I HA -0.265 3.904 4.170 -0.001 0.000 0.251 47 I C 1.859 178.203 176.117 0.379 0.000 1.125 47 I CA 0.819 62.317 61.300 0.330 0.000 1.392 47 I CB -0.191 38.012 38.000 0.339 0.000 1.065 47 I HN 0.160 nan 8.210 nan 0.000 0.424 48 L N 0.623 122.033 121.223 0.312 0.000 2.081 48 L HA -0.251 4.088 4.340 -0.001 0.000 0.212 48 L C 1.824 178.892 176.870 0.330 0.000 1.080 48 L CA 2.013 57.000 54.840 0.245 0.000 0.754 48 L CB -1.152 40.988 42.059 0.135 0.000 0.893 48 L HN 0.323 nan 8.230 nan 0.000 0.433 49 D N -0.557 120.001 120.400 0.263 0.000 2.378 49 D HA -0.102 4.537 4.640 -0.001 0.000 0.227 49 D C 1.653 178.091 176.300 0.230 0.000 1.012 49 D CA 0.346 54.477 54.000 0.218 0.000 0.905 49 D CB 0.094 40.982 40.800 0.148 0.000 0.895 49 D HN 0.473 nan 8.370 nan 0.000 0.532 50 E N -0.328 120.036 120.200 0.273 0.000 2.418 50 E HA -0.096 4.253 4.350 -0.001 0.000 0.197 50 E C 1.642 178.248 176.600 0.009 0.000 1.026 50 E CA 0.164 56.618 56.400 0.089 0.000 0.862 50 E CB -0.081 29.598 29.700 -0.035 0.000 0.799 50 E HN 0.554 nan 8.360 nan 0.000 0.518 51 W N 0.718 122.065 121.300 0.079 0.000 3.180 51 W HA 0.132 4.791 4.660 -0.001 0.000 0.254 51 W C 1.858 178.441 176.519 0.108 0.000 1.318 51 W CA 0.284 57.691 57.345 0.103 0.000 1.608 51 W CB -0.075 29.409 29.460 0.040 0.000 1.124 51 W HN 0.039 nan 8.180 nan 0.000 0.694 52 A N 1.416 124.377 122.820 0.235 0.000 1.912 52 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 52 A C 1.097 178.770 177.584 0.150 0.000 1.309 52 A CA 1.862 53.995 52.037 0.161 0.000 0.726 52 A CB -1.080 17.983 19.000 0.105 0.000 0.840 52 A HN 0.082 nan 8.150 nan 0.000 0.473 53 D N -0.912 119.548 120.400 0.100 0.000 2.896 53 D HA 0.226 4.865 4.640 -0.001 0.000 0.240 53 D C -0.603 175.745 176.300 0.080 0.000 1.193 53 D CA -0.062 53.983 54.000 0.076 0.000 0.983 53 D CB -0.424 40.392 40.800 0.026 0.000 1.074 53 D HN 0.468 nan 8.370 nan 0.000 0.496 54 Y N 1.781 122.092 120.300 0.019 0.000 2.620 54 Y HA -0.010 4.539 4.550 -0.001 0.000 0.330 54 Y C 0.185 176.080 175.900 -0.008 0.000 1.186 54 Y CA 0.083 58.188 58.100 0.009 0.000 1.467 54 Y CB 0.573 39.092 38.460 0.099 0.000 1.262 54 Y HN -0.048 nan 8.280 nan 0.000 0.550 55 D N 4.598 124.612 120.400 -0.645 0.000 2.441 55 D HA 0.156 4.796 4.640 -0.001 0.000 0.231 55 D C 0.455 176.303 176.300 -0.754 0.000 1.073 55 D CA -0.287 53.404 54.000 -0.515 0.000 0.850 55 D CB 1.451 42.064 40.800 -0.312 0.000 1.062 55 D HN 0.764 nan 8.370 nan 0.000 0.524 56 T N 3.453 117.688 114.554 -0.532 0.000 2.929 56 T HA -0.077 4.272 4.350 -0.001 0.000 0.271 56 T C 1.938 176.539 174.700 -0.166 0.000 1.085 56 T CA 0.634 62.564 62.100 -0.283 0.000 1.125 56 T CB 0.088 68.978 68.868 0.037 0.000 0.874 56 T HN 0.448 nan 8.240 nan 0.000 0.494 57 L N 0.886 122.010 121.223 -0.165 0.000 2.275 57 L HA 0.049 4.388 4.340 -0.001 0.000 0.215 57 L C 0.626 177.425 176.870 -0.119 0.000 1.119 57 L CA 0.327 55.103 54.840 -0.106 0.000 0.790 57 L CB -0.500 41.506 42.059 -0.088 0.000 0.919 57 L HN 0.130 nan 8.230 nan 0.000 0.443 58 V N 1.922 121.723 119.914 -0.187 0.000 2.488 58 V HA 0.160 4.279 4.120 -0.001 0.000 0.277 58 V C -1.749 174.252 176.094 -0.156 0.000 1.046 58 V CA -1.514 60.674 62.300 -0.187 0.000 0.986 58 V CB 0.549 32.216 31.823 -0.261 0.000 0.989 58 V HN 0.030 nan 8.190 nan 0.000 0.475 59 P HA 0.110 nan 4.420 nan 0.000 0.270 59 P C -0.105 177.148 177.300 -0.078 0.000 1.223 59 P CA -0.119 62.956 63.100 -0.042 0.000 0.785 59 P CB 1.026 32.718 31.700 -0.013 0.000 0.923 60 D N -0.868 119.552 120.400 0.033 0.000 2.289 60 D HA 0.013 4.652 4.640 -0.001 0.000 0.207 60 D C 0.101 176.452 176.300 0.085 0.000 0.966 60 D CA 1.434 55.468 54.000 0.056 0.000 0.868 60 D CB -0.100 40.823 40.800 0.205 0.000 0.943 60 D HN 0.396 nan 8.370 nan 0.000 0.514 61 Y N -0.594 119.688 120.300 -0.030 0.000 2.552 61 Y HA 0.329 4.878 4.550 -0.002 0.000 0.337 61 Y C -2.665 173.218 175.900 -0.028 0.000 1.094 61 Y CA -2.219 55.882 58.100 0.003 0.000 1.028 61 Y CB 2.294 40.824 38.460 0.117 0.000 1.321 61 Y HN -0.264 nan 8.280 nan 0.000 0.456 62 P HA 0.204 nan 4.420 nan 0.000 0.292 62 P C 0.462 177.723 177.300 -0.065 0.000 1.326 62 P CA -0.286 62.711 63.100 -0.172 0.000 0.787 62 P CB 1.374 32.914 31.700 -0.268 0.000 0.903 63 L N 3.496 124.736 121.223 0.028 0.000 2.085 63 L HA -0.259 4.080 4.340 -0.001 0.000 0.218 63 L C 2.167 179.019 176.870 -0.029 0.000 1.080 63 L CA 1.980 56.843 54.840 0.039 0.000 0.776 63 L CB -0.811 41.294 42.059 0.076 0.000 0.891 63 L HN 0.473 nan 8.230 nan 0.000 0.437 64 E N -0.845 119.324 120.200 -0.052 0.000 2.219 64 E HA -0.222 4.128 4.350 -0.001 0.000 0.198 64 E C 1.381 177.932 176.600 -0.082 0.000 0.998 64 E CA 1.161 57.525 56.400 -0.060 0.000 0.818 64 E CB 0.047 29.706 29.700 -0.068 0.000 0.741 64 E HN 0.519 nan 8.360 nan 0.000 0.477 65 I N 1.001 121.500 120.570 -0.119 0.000 3.941 65 I HA 0.100 4.269 4.170 -0.001 0.000 0.335 65 I C 0.116 176.180 176.117 -0.089 0.000 1.402 65 I CA 0.052 61.279 61.300 -0.122 0.000 1.112 65 I CB 0.452 38.329 38.000 -0.205 0.000 1.043 65 I HN -0.195 nan 8.210 nan 0.000 0.395 66 V N 5.473 125.309 119.914 -0.130 0.000 2.408 66 V HA 0.162 4.281 4.120 -0.001 0.000 0.267 66 V C -0.867 174.970 176.094 -0.428 0.000 1.047 66 V CA -0.755 61.349 62.300 -0.326 0.000 0.937 66 V CB 1.157 32.680 31.823 -0.500 0.000 0.999 66 V HN 0.100 nan 8.190 nan 0.000 0.472 67 P HA -0.102 nan 4.420 nan 0.000 0.222 67 P C 0.714 177.954 177.300 -0.101 0.000 1.147 67 P CA 1.199 64.202 63.100 -0.162 0.000 0.790 67 P CB 0.029 31.712 31.700 -0.029 0.000 0.780 68 F N -3.525 116.355 119.950 -0.116 0.000 2.654 68 F HA 0.727 5.254 4.527 -0.002 0.000 0.303 68 F C 1.741 177.434 175.800 -0.179 0.000 1.099 68 F CA -0.861 57.070 58.000 -0.115 0.000 1.270 68 F CB -1.263 37.622 39.000 -0.191 0.000 1.024 68 F HN -0.202 nan 8.300 nan 0.000 0.548 69 A N 1.072 123.708 122.820 -0.307 0.000 1.986 69 A HA -0.186 4.133 4.320 -0.001 0.000 0.220 69 A C 1.847 179.598 177.584 0.279 0.000 1.171 69 A CA 1.916 53.909 52.037 -0.073 0.000 0.640 69 A CB -0.609 18.350 19.000 -0.068 0.000 0.811 69 A HN 0.616 nan 8.150 nan 0.000 0.451 70 E N -1.089 119.225 120.200 0.191 0.000 2.465 70 E HA 0.051 4.400 4.350 -0.001 0.000 0.195 70 E C -0.056 176.670 176.600 0.210 0.000 1.028 70 E CA -0.393 56.118 56.400 0.186 0.000 0.899 70 E CB 0.074 29.832 29.700 0.097 0.000 1.032 70 E HN 0.632 nan 8.360 nan 0.000 0.468 71 H N 1.762 120.968 119.070 0.226 0.000 2.803 71 H HA 0.051 4.607 4.556 -0.001 0.000 0.330 71 H C -1.765 173.681 175.328 0.198 0.000 1.057 71 H CA -1.874 54.293 56.048 0.198 0.000 1.458 71 H CB 1.388 31.274 29.762 0.208 0.000 1.470 71 H HN -0.136 nan 8.280 nan 0.000 0.560 72 P HA -0.178 nan 4.420 nan 0.000 0.217 72 P C 1.652 179.103 177.300 0.252 0.000 1.151 72 P CA 1.277 64.453 63.100 0.126 0.000 0.849 72 P CB 0.238 31.937 31.700 -0.002 0.000 0.787 73 L N -3.301 118.212 121.223 0.484 0.000 2.217 73 L HA -0.069 4.270 4.340 -0.001 0.000 0.211 73 L C 2.320 179.314 176.870 0.208 0.000 1.107 73 L CA 0.854 55.847 54.840 0.256 0.000 0.783 73 L CB -0.604 41.544 42.059 0.149 0.000 0.919 73 L HN -0.054 nan 8.230 nan 0.000 0.442 74 F N 0.497 120.534 119.950 0.145 0.000 2.128 74 F HA -0.133 4.394 4.527 -0.001 0.000 0.295 74 F C 2.163 178.028 175.800 0.108 0.000 1.100 74 F CA 1.199 59.272 58.000 0.122 0.000 1.260 74 F CB 0.124 39.284 39.000 0.267 0.000 1.009 74 F HN -0.141 nan 8.300 nan 0.000 0.476 75 L N 0.096 121.383 121.223 0.108 0.000 2.201 75 L HA -0.136 4.203 4.340 -0.001 0.000 0.212 75 L C 2.412 179.243 176.870 -0.065 0.000 1.105 75 L CA 0.879 55.705 54.840 -0.024 0.000 0.775 75 L CB -0.869 41.236 42.059 0.076 0.000 0.913 75 L HN 0.221 nan 8.230 nan 0.000 0.440 76 A N -0.168 122.640 122.820 -0.020 0.000 2.238 76 A HA 0.403 4.722 4.320 -0.001 0.000 0.208 76 A C 1.141 178.684 177.584 -0.068 0.000 1.177 76 A CA 0.467 52.489 52.037 -0.026 0.000 0.804 76 A CB -0.424 18.584 19.000 0.014 0.000 0.823 76 A HN 0.272 nan 8.150 nan 0.000 0.482 77 A N 0.038 122.774 122.820 -0.140 0.000 2.279 77 A HA 0.567 4.886 4.320 -0.001 0.000 0.303 77 A C 0.050 177.506 177.584 -0.212 0.000 1.108 77 A CA -0.612 51.318 52.037 -0.179 0.000 0.830 77 A CB 0.332 19.192 19.000 -0.232 0.000 1.106 77 A HN 0.306 nan 8.150 nan 0.000 0.493 78 E N 0.804 120.864 120.200 -0.233 0.000 2.404 78 E HA 0.104 4.453 4.350 -0.001 0.000 0.261 78 E C -1.646 174.780 176.600 -0.289 0.000 1.074 78 E CA -1.688 54.571 56.400 -0.235 0.000 0.917 78 E CB -0.087 29.477 29.700 -0.227 0.000 0.965 78 E HN 0.300 nan 8.360 nan 0.000 0.433 79 P HA -0.213 nan 4.420 nan 0.000 0.216 79 P C 1.078 178.348 177.300 -0.050 0.000 1.154 79 P CA 1.922 64.978 63.100 -0.073 0.000 0.865 79 P CB -0.046 31.662 31.700 0.013 0.000 0.789 80 H N -1.511 117.554 119.070 -0.009 0.000 2.389 80 H HA -0.016 4.539 4.556 -0.001 0.000 0.299 80 H C 1.922 177.262 175.328 0.020 0.000 1.081 80 H CA 0.944 56.999 56.048 0.013 0.000 1.345 80 H CB -1.271 28.500 29.762 0.015 0.000 1.393 80 H HN 0.145 nan 8.280 nan 0.000 0.520 81 Q N 0.653 120.117 119.800 -0.559 0.000 2.084 81 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 81 Q C 2.361 178.304 176.000 -0.094 0.000 0.978 81 Q CA 1.527 57.157 55.803 -0.289 0.000 0.844 81 Q CB -0.042 28.480 28.738 -0.359 0.000 0.898 81 Q HN 0.572 nan 8.270 nan 0.000 0.426 82 R N 0.134 120.536 120.500 -0.162 0.000 2.090 82 R HA -0.078 4.261 4.340 -0.001 0.000 0.228 82 R C 2.223 178.608 176.300 0.142 0.000 1.110 82 R CA 0.783 56.834 56.100 -0.081 0.000 0.973 82 R CB -0.047 30.031 30.300 -0.369 0.000 0.869 82 R HN 0.250 nan 8.270 nan 0.000 0.440 83 Q N 0.483 120.332 119.800 0.082 0.000 2.224 83 Q HA -0.070 4.269 4.340 -0.001 0.000 0.203 83 Q C 1.972 178.060 176.000 0.148 0.000 0.970 83 Q CA 1.176 57.054 55.803 0.125 0.000 0.865 83 Q CB -0.030 28.769 28.738 0.101 0.000 0.922 83 Q HN 0.349 nan 8.270 nan 0.000 0.445 84 R N -0.260 120.321 120.500 0.135 0.000 2.090 84 R HA -0.034 4.306 4.340 -0.001 0.000 0.228 84 R C 2.371 178.761 176.300 0.150 0.000 1.110 84 R CA 0.798 56.982 56.100 0.139 0.000 0.973 84 R CB -0.158 30.216 30.300 0.123 0.000 0.869 84 R HN 0.048 nan 8.270 nan 0.000 0.440 85 V N 1.827 121.856 119.914 0.191 0.000 2.287 85 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 85 V C 2.376 178.565 176.094 0.159 0.000 1.053 85 V CA 1.747 64.181 62.300 0.224 0.000 1.027 85 V CB -0.463 31.618 31.823 0.429 0.000 0.646 85 V HN 0.284 nan 8.190 nan 0.000 0.447 86 L N -0.395 120.942 121.223 0.191 0.000 2.012 86 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 86 L C 2.648 179.606 176.870 0.148 0.000 1.073 86 L CA 2.152 57.084 54.840 0.153 0.000 0.748 86 L CB -1.170 41.029 42.059 0.232 0.000 0.891 86 L HN 0.360 nan 8.230 nan 0.000 0.431 87 T N -0.283 114.385 114.554 0.190 0.000 2.684 87 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 87 T C 1.826 176.643 174.700 0.196 0.000 1.036 87 T CA 1.485 63.729 62.100 0.240 0.000 1.148 87 T CB -0.644 68.353 68.868 0.216 0.000 0.863 87 T HN 0.588 nan 8.240 nan 0.000 0.436 88 G N 0.920 109.787 108.800 0.111 0.000 2.418 88 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.217 88 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.217 88 G C 1.570 176.462 174.900 -0.015 0.000 1.158 88 G CA 0.667 45.799 45.100 0.055 0.000 0.771 88 G HN 0.410 nan 8.290 nan 0.000 0.545 89 M N -0.699 118.831 119.600 -0.116 0.000 2.229 89 M HA 0.048 4.527 4.480 -0.001 0.000 0.264 89 M C 2.303 178.423 176.300 -0.299 0.000 1.063 89 M CA 0.974 56.074 55.300 -0.334 0.000 1.114 89 M CB -0.223 31.963 32.600 -0.690 0.000 1.387 89 M HN 0.567 nan 8.290 nan 0.000 0.420 90 W N 1.494 122.612 121.300 -0.303 0.000 2.379 90 W HA -0.182 4.477 4.660 -0.001 0.000 0.307 90 W C 1.655 178.239 176.519 0.108 0.000 1.200 90 W CA 1.313 58.701 57.345 0.071 0.000 1.297 90 W CB -0.272 29.302 29.460 0.189 0.000 1.140 90 W HN 0.119 nan 8.180 nan 0.000 0.507 91 I N 1.443 121.957 120.570 -0.093 0.000 2.226 91 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 91 I C 2.824 178.823 176.117 -0.198 0.000 1.100 91 I CA 1.679 62.847 61.300 -0.220 0.000 1.374 91 I CB -1.284 36.686 38.000 -0.050 0.000 1.057 91 I HN 0.042 nan 8.210 nan 0.000 0.413 92 G N 0.177 108.913 108.800 -0.107 0.000 2.440 92 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.218 92 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.218 92 G C 1.624 176.470 174.900 -0.090 0.000 1.154 92 G CA 0.918 45.967 45.100 -0.086 0.000 0.767 92 G HN 0.393 nan 8.290 nan 0.000 0.552 93 Y N 2.103 122.301 120.300 -0.169 0.000 2.097 93 Y HA -0.188 4.361 4.550 -0.001 0.000 0.282 93 Y C 2.643 178.400 175.900 -0.237 0.000 1.152 93 Y CA 2.158 60.173 58.100 -0.142 0.000 1.136 93 Y CB -0.469 37.975 38.460 -0.025 0.000 0.975 93 Y HN 0.163 nan 8.280 nan 0.000 0.498 94 N N 0.492 118.859 118.700 -0.554 0.000 2.120 94 N HA -0.186 4.553 4.740 -0.001 0.000 0.188 94 N C 1.683 176.934 175.510 -0.432 0.000 1.024 94 N CA 1.795 54.491 53.050 -0.591 0.000 0.852 94 N CB -0.285 37.903 38.487 -0.499 0.000 1.003 94 N HN 0.613 nan 8.380 nan 0.000 0.424 95 E N 0.765 120.781 120.200 -0.308 0.000 2.085 95 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 95 E C 2.086 178.552 176.600 -0.223 0.000 0.994 95 E CA 0.939 57.208 56.400 -0.217 0.000 0.801 95 E CB -0.012 29.596 29.700 -0.154 0.000 0.743 95 E HN 0.305 nan 8.360 nan 0.000 0.453 96 R N 0.240 120.590 120.500 -0.250 0.000 2.090 96 R HA -0.063 4.276 4.340 -0.001 0.000 0.228 96 R C 2.424 178.571 176.300 -0.256 0.000 1.110 96 R CA 0.749 56.726 56.100 -0.206 0.000 0.973 96 R CB -0.181 30.030 30.300 -0.148 0.000 0.869 96 R HN 0.049 nan 8.270 nan 0.000 0.440 97 V N 1.562 121.207 119.914 -0.448 0.000 2.261 97 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 97 V C 2.256 178.186 176.094 -0.272 0.000 1.047 97 V CA 1.823 63.842 62.300 -0.468 0.000 1.015 97 V CB -0.360 30.897 31.823 -0.943 0.000 0.642 97 V HN 0.259 nan 8.190 nan 0.000 0.446 98 I N 0.433 120.844 120.570 -0.265 0.000 2.127 98 I HA -0.280 3.890 4.170 -0.001 0.000 0.241 98 I C 2.702 178.759 176.117 -0.100 0.000 1.075 98 I CA 1.671 62.890 61.300 -0.135 0.000 1.334 98 I CB -0.710 37.219 38.000 -0.119 0.000 1.040 98 I HN 0.300 nan 8.210 nan 0.000 0.405 99 A N 0.411 123.155 122.820 -0.127 0.000 1.908 99 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 99 A C 2.390 179.919 177.584 -0.092 0.000 1.181 99 A CA 2.606 54.566 52.037 -0.128 0.000 0.627 99 A CB -1.184 17.730 19.000 -0.142 0.000 0.818 99 A HN 0.423 nan 8.150 nan 0.000 0.445 100 T N -0.059 114.465 114.554 -0.050 0.000 2.746 100 T HA -0.147 4.203 4.350 -0.001 0.000 0.267 100 T C 1.776 176.513 174.700 0.062 0.000 1.039 100 T CA 1.682 63.805 62.100 0.039 0.000 1.142 100 T CB -0.271 68.639 68.868 0.070 0.000 0.866 100 T HN 0.665 nan 8.240 nan 0.000 0.444 101 E N 0.984 121.212 120.200 0.048 0.000 2.051 101 E HA -0.138 4.211 4.350 -0.001 0.000 0.192 101 E C 2.606 179.241 176.600 0.058 0.000 0.991 101 E CA 0.965 57.419 56.400 0.090 0.000 0.799 101 E CB -0.110 29.664 29.700 0.123 0.000 0.748 101 E HN 0.564 nan 8.360 nan 0.000 0.449 102 Q N 0.094 119.900 119.800 0.011 0.000 2.079 102 Q HA -0.086 4.253 4.340 -0.001 0.000 0.200 102 Q C 2.212 178.195 176.000 -0.029 0.000 0.974 102 Q CA 0.970 56.767 55.803 -0.010 0.000 0.840 102 Q CB 0.087 28.798 28.738 -0.045 0.000 0.898 102 Q HN 0.321 nan 8.270 nan 0.000 0.430 103 L N -1.004 120.178 121.223 -0.069 0.000 2.513 103 L HA 0.125 4.464 4.340 -0.001 0.000 0.222 103 L C 1.711 178.622 176.870 0.069 0.000 1.096 103 L CA 0.267 55.041 54.840 -0.110 0.000 0.857 103 L CB 0.292 42.065 42.059 -0.476 0.000 1.026 103 L HN 0.145 nan 8.230 nan 0.000 0.469 104 I N -1.381 119.251 120.570 0.104 0.000 3.650 104 I HA 0.123 4.292 4.170 -0.001 0.000 0.261 104 I C 2.390 178.560 176.117 0.089 0.000 1.154 104 I CA 0.694 62.110 61.300 0.193 0.000 1.418 104 I CB 0.044 38.254 38.000 0.350 0.000 1.539 104 I HN -0.023 nan 8.210 nan 0.000 0.449 105 A N 0.786 123.627 122.820 0.035 0.000 1.854 105 A HA -0.141 4.178 4.320 -0.001 0.000 0.214 105 A C 2.064 179.532 177.584 -0.192 0.000 1.192 105 A CA 1.560 53.520 52.037 -0.129 0.000 0.611 105 A CB -0.631 18.360 19.000 -0.016 0.000 0.832 105 A HN 0.379 nan 8.150 nan 0.000 0.442 106 E N -0.302 119.912 120.200 0.023 0.000 2.085 106 E HA -0.164 4.185 4.350 -0.001 0.000 0.194 106 E C -0.545 176.085 176.600 0.051 0.000 0.994 106 E CA 1.578 58.042 56.400 0.107 0.000 0.801 106 E CB -1.020 28.748 29.700 0.113 0.000 0.743 106 E HN 0.468 nan 8.360 nan 0.000 0.453 107 P HA -0.202 nan 4.420 nan 0.000 0.215 107 P C 1.081 178.386 177.300 0.008 0.000 1.153 107 P CA 1.896 65.010 63.100 0.023 0.000 0.853 107 P CB -0.003 31.725 31.700 0.047 0.000 0.788 108 A N -1.218 121.578 122.820 -0.039 0.000 1.877 108 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 108 A C 1.950 179.537 177.584 0.007 0.000 1.186 108 A CA 1.515 53.524 52.037 -0.047 0.000 0.620 108 A CB -1.785 17.105 19.000 -0.182 0.000 0.822 108 A HN 0.036 nan 8.150 nan 0.000 0.443 109 F N 0.937 120.892 119.950 0.008 0.000 2.134 109 F HA -0.151 4.376 4.527 -0.001 0.000 0.299 109 F C 2.106 177.851 175.800 -0.092 0.000 1.097 109 F CA 1.319 59.297 58.000 -0.037 0.000 1.264 109 F CB -0.933 38.030 39.000 -0.061 0.000 1.001 109 F HN 0.228 nan 8.300 nan 0.000 0.479 110 D N 0.126 120.551 120.400 0.042 0.000 2.123 110 D HA -0.164 4.475 4.640 -0.001 0.000 0.196 110 D C 2.616 178.655 176.300 -0.435 0.000 0.992 110 D CA 0.871 54.712 54.000 -0.265 0.000 0.833 110 D CB -0.630 40.002 40.800 -0.279 0.000 0.954 110 D HN 0.208 nan 8.370 nan 0.000 0.455 111 L N 0.440 121.571 121.223 -0.154 0.000 2.042 111 L HA -0.186 4.153 4.340 -0.001 0.000 0.210 111 L C 2.444 179.330 176.870 0.026 0.000 1.076 111 L CA 0.828 55.634 54.840 -0.057 0.000 0.749 111 L CB -0.247 41.865 42.059 0.089 0.000 0.893 111 L HN -0.012 nan 8.230 nan 0.000 0.432 112 V N -0.625 119.375 119.914 0.144 0.000 2.295 112 V HA -0.328 3.791 4.120 -0.001 0.000 0.246 112 V C 2.524 178.676 176.094 0.095 0.000 1.049 112 V CA 1.605 64.025 62.300 0.200 0.000 1.024 112 V CB -0.446 31.503 31.823 0.210 0.000 0.648 112 V HN 0.395 nan 8.190 nan 0.000 0.447 113 M N -0.605 119.003 119.600 0.014 0.000 2.229 113 M HA -0.087 4.392 4.480 -0.001 0.000 0.264 113 M C 2.002 178.374 176.300 0.120 0.000 1.063 113 M CA 1.496 56.809 55.300 0.021 0.000 1.114 113 M CB -1.410 31.177 32.600 -0.022 0.000 1.387 113 M HN 0.421 nan 8.290 nan 0.000 0.420 114 H N 0.191 119.273 119.070 0.019 0.000 2.556 114 H HA 0.248 4.804 4.556 -0.001 0.000 0.268 114 H C 1.504 176.817 175.328 -0.026 0.000 0.996 114 H CA 0.390 56.432 56.048 -0.010 0.000 1.157 114 H CB -0.751 28.997 29.762 -0.024 0.000 1.355 114 H HN 0.546 nan 8.280 nan 0.000 0.597 115 G N 0.503 109.363 108.800 0.099 0.000 2.203 115 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.263 115 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.263 115 G C 1.381 176.282 174.900 0.001 0.000 1.012 115 G CA 0.658 45.794 45.100 0.060 0.000 0.749 115 G HN 0.450 nan 8.290 nan 0.000 0.512 116 V N -0.922 118.927 119.914 -0.107 0.000 2.626 116 V HA 0.234 4.353 4.120 -0.001 0.000 0.252 116 V C 1.155 177.070 176.094 -0.299 0.000 1.067 116 V CA 1.359 63.504 62.300 -0.258 0.000 1.081 116 V CB -0.360 31.216 31.823 -0.411 0.000 0.686 116 V HN 0.322 nan 8.190 nan 0.000 0.468 117 F N 1.996 121.990 119.950 0.073 0.000 2.404 117 F HA 0.489 5.015 4.527 -0.001 0.000 0.339 117 F C -1.841 173.988 175.800 0.048 0.000 1.105 117 F CA -3.517 54.523 58.000 0.066 0.000 1.087 117 F CB 0.152 39.195 39.000 0.073 0.000 1.143 117 F HN -0.035 nan 8.300 nan 0.000 0.491 118 P HA 0.146 nan 4.420 nan 0.000 0.267 118 P C 0.675 178.048 177.300 0.122 0.000 1.205 118 P CA 0.648 63.826 63.100 0.129 0.000 0.765 118 P CB 0.832 32.586 31.700 0.091 0.000 0.828 119 G N 2.893 111.746 108.800 0.089 0.000 2.175 119 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.244 119 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.244 119 G C 0.880 175.828 174.900 0.081 0.000 0.982 119 G CA 0.381 45.524 45.100 0.072 0.000 0.641 119 G HN 0.646 nan 8.290 nan 0.000 0.527 120 S N 0.728 116.496 115.700 0.113 0.000 2.593 120 S HA 0.124 4.593 4.470 -0.001 0.000 0.217 120 S C 1.543 176.188 174.600 0.075 0.000 0.966 120 S CA 1.061 59.330 58.200 0.115 0.000 0.914 120 S CB -0.009 63.302 63.200 0.185 0.000 0.776 120 S HN 0.635 nan 8.310 nan 0.000 0.523 121 D N 0.901 121.337 120.400 0.059 0.000 2.349 121 D HA -0.014 4.625 4.640 -0.001 0.000 0.224 121 D C 0.013 176.328 176.300 0.026 0.000 1.029 121 D CA -0.151 53.873 54.000 0.039 0.000 0.879 121 D CB -0.649 40.171 40.800 0.033 0.000 0.906 121 D HN 0.402 nan 8.370 nan 0.000 0.528 122 D N 1.516 121.933 120.400 0.027 0.000 2.472 122 D HA 0.009 4.648 4.640 -0.001 0.000 0.248 122 D C -1.518 174.785 176.300 0.005 0.000 1.174 122 D CA -1.345 52.665 54.000 0.017 0.000 0.883 122 D CB 1.567 42.379 40.800 0.020 0.000 1.149 122 D HN -0.127 nan 8.370 nan 0.000 0.488 123 P HA -0.130 nan 4.420 nan 0.000 0.218 123 P C 1.313 178.600 177.300 -0.023 0.000 1.148 123 P CA 0.407 63.500 63.100 -0.012 0.000 0.822 123 P CB 0.131 31.825 31.700 -0.009 0.000 0.784 124 L N -1.014 120.199 121.223 -0.015 0.000 2.109 124 L HA -0.065 4.274 4.340 -0.001 0.000 0.207 124 L C 2.143 178.994 176.870 -0.031 0.000 1.086 124 L CA 1.600 56.427 54.840 -0.021 0.000 0.760 124 L CB -0.999 41.055 42.059 -0.009 0.000 0.910 124 L HN -0.133 nan 8.230 nan 0.000 0.437 125 I N -0.795 119.764 120.570 -0.018 0.000 2.179 125 I HA -0.296 3.873 4.170 -0.001 0.000 0.242 125 I C 2.602 178.692 176.117 -0.045 0.000 1.088 125 I CA 1.181 62.471 61.300 -0.018 0.000 1.357 125 I CB -0.279 37.729 38.000 0.012 0.000 1.051 125 I HN 0.240 nan 8.210 nan 0.000 0.409 126 R N 0.803 121.279 120.500 -0.040 0.000 2.081 126 R HA -0.184 4.156 4.340 -0.001 0.000 0.235 126 R C 2.307 178.539 176.300 -0.113 0.000 1.131 126 R CA 1.420 57.485 56.100 -0.059 0.000 0.960 126 R CB -0.239 30.041 30.300 -0.035 0.000 0.856 126 R HN 0.305 nan 8.270 nan 0.000 0.436 127 K N 0.233 120.565 120.400 -0.114 0.000 2.026 127 K HA -0.122 4.197 4.320 -0.001 0.000 0.208 127 K C 2.360 178.816 176.600 -0.240 0.000 1.048 127 K CA 1.904 58.092 56.287 -0.166 0.000 0.929 127 K CB -0.115 32.312 32.500 -0.123 0.000 0.713 127 K HN 0.186 nan 8.250 nan 0.000 0.439 128 S N 0.350 115.936 115.700 -0.189 0.000 2.368 128 S HA -0.107 4.363 4.470 -0.001 0.000 0.224 128 S C 2.135 176.540 174.600 -0.327 0.000 1.029 128 S CA 1.221 59.291 58.200 -0.217 0.000 0.988 128 S CB -0.546 62.584 63.200 -0.118 0.000 0.838 128 S HN 0.025 nan 8.310 nan 0.000 0.462 129 V N 1.755 121.487 119.914 -0.303 0.000 2.407 129 V HA -0.078 4.041 4.120 -0.001 0.000 0.245 129 V C 2.934 178.741 176.094 -0.479 0.000 1.041 129 V CA 1.913 63.950 62.300 -0.437 0.000 1.040 129 V CB -0.969 30.720 31.823 -0.223 0.000 0.671 129 V HN 0.457 nan 8.190 nan 0.000 0.455 130 Q N 0.328 119.925 119.800 -0.339 0.000 2.124 130 Q HA -0.219 4.120 4.340 -0.001 0.000 0.202 130 Q C 2.207 177.948 176.000 -0.432 0.000 0.977 130 Q CA 1.830 57.444 55.803 -0.315 0.000 0.850 130 Q CB -0.340 28.260 28.738 -0.231 0.000 0.901 130 Q HN 0.684 nan 8.270 nan 0.000 0.429 131 Q N -0.786 118.651 119.800 -0.605 0.000 2.084 131 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 131 Q C 2.045 177.703 176.000 -0.570 0.000 0.978 131 Q CA 1.416 56.652 55.803 -0.945 0.000 0.844 131 Q CB -0.306 27.597 28.738 -1.392 0.000 0.898 131 Q HN 0.511 nan 8.270 nan 0.000 0.426 132 A N 0.897 123.365 122.820 -0.586 0.000 1.908 132 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 132 A C 2.033 179.318 177.584 -0.497 0.000 1.181 132 A CA 1.211 52.812 52.037 -0.727 0.000 0.627 132 A CB -0.643 17.506 19.000 -1.419 0.000 0.818 132 A HN 0.315 nan 8.150 nan 0.000 0.445 133 I N -0.443 119.857 120.570 -0.449 0.000 2.226 133 I HA -0.226 3.943 4.170 -0.001 0.000 0.245 133 I C 2.351 178.426 176.117 -0.070 0.000 1.100 133 I CA 1.154 62.348 61.300 -0.177 0.000 1.374 133 I CB -0.308 37.609 38.000 -0.137 0.000 1.057 133 I HN 0.165 nan 8.210 nan 0.000 0.413 134 V N 0.806 120.670 119.914 -0.085 0.000 2.287 134 V HA -0.333 3.786 4.120 -0.001 0.000 0.248 134 V C 2.093 178.249 176.094 0.103 0.000 1.053 134 V CA 2.104 64.429 62.300 0.042 0.000 1.027 134 V CB -0.726 31.160 31.823 0.105 0.000 0.646 134 V HN 0.419 nan 8.190 nan 0.000 0.447 135 D N -0.293 120.169 120.400 0.102 0.000 2.097 135 D HA -0.142 4.497 4.640 -0.001 0.000 0.195 135 D C 2.288 178.361 176.300 -0.378 0.000 0.989 135 D CA 1.182 55.184 54.000 0.003 0.000 0.827 135 D CB -0.252 40.703 40.800 0.257 0.000 0.966 135 D HN 0.447 nan 8.370 nan 0.000 0.456 136 E N 0.611 120.735 120.200 -0.126 0.000 2.110 136 E HA -0.071 4.278 4.350 -0.001 0.000 0.193 136 E C 2.217 178.840 176.600 0.039 0.000 0.988 136 E CA 0.503 56.896 56.400 -0.012 0.000 0.804 136 E CB -0.361 29.456 29.700 0.196 0.000 0.745 136 E HN 0.141 nan 8.360 nan 0.000 0.458 137 S N 0.843 116.582 115.700 0.066 0.000 2.382 137 S HA -0.123 4.347 4.470 -0.001 0.000 0.228 137 S C 1.651 176.353 174.600 0.169 0.000 1.027 137 S CA 0.840 59.104 58.200 0.107 0.000 0.991 137 S CB -0.325 62.932 63.200 0.096 0.000 0.823 137 S HN 0.246 nan 8.310 nan 0.000 0.469 138 F N 2.032 121.995 119.950 0.022 0.000 2.206 138 F HA -0.020 4.506 4.527 -0.002 0.000 0.298 138 F C 2.052 177.986 175.800 0.223 0.000 1.090 138 F CA 1.194 59.258 58.000 0.107 0.000 1.323 138 F CB -0.511 38.531 39.000 0.069 0.000 1.028 138 F HN 0.317 nan 8.300 nan 0.000 0.492 139 H N -1.495 117.605 119.070 0.049 0.000 2.353 139 H HA -0.148 4.408 4.556 -0.000 0.000 0.300 139 H C 2.119 177.459 175.328 0.020 0.000 1.090 139 H CA 1.442 57.424 56.048 -0.110 0.000 1.327 139 H CB -0.414 29.173 29.762 -0.292 0.000 1.383 139 H HN 0.175 nan 8.280 nan 0.000 0.508 140 T N 0.571 115.225 114.554 0.167 0.000 2.684 140 T HA -0.256 4.093 4.350 -0.001 0.000 0.267 140 T C 1.698 176.442 174.700 0.072 0.000 1.036 140 T CA 1.612 63.779 62.100 0.113 0.000 1.148 140 T CB -0.580 68.344 68.868 0.093 0.000 0.863 140 T HN 0.373 nan 8.240 nan 0.000 0.436 141 Y N 1.652 121.901 120.300 -0.084 0.000 2.081 141 Y HA -0.202 4.348 4.550 0.001 0.000 0.280 141 Y C 2.375 178.141 175.900 -0.225 0.000 1.163 141 Y CA 1.467 59.479 58.100 -0.147 0.000 1.135 141 Y CB -0.489 37.878 38.460 -0.156 0.000 0.970 141 Y HN 0.123 nan 8.280 nan 0.000 0.498 142 M N -0.872 118.468 119.600 -0.434 0.000 2.080 142 M HA -0.299 4.180 4.480 -0.001 0.000 0.260 142 M C 2.189 178.280 176.300 -0.349 0.000 1.068 142 M CA 1.948 56.955 55.300 -0.488 0.000 1.109 142 M CB -0.736 31.572 32.600 -0.487 0.000 1.342 142 M HN 0.424 nan 8.290 nan 0.000 0.405 143 H N -0.745 118.223 119.070 -0.169 0.000 2.395 143 H HA -0.079 4.475 4.556 -0.002 0.000 0.299 143 H C 2.054 177.266 175.328 -0.194 0.000 1.070 143 H CA 1.546 57.502 56.048 -0.153 0.000 1.356 143 H CB -0.322 29.346 29.762 -0.157 0.000 1.401 143 H HN 0.458 nan 8.280 nan 0.000 0.524 144 M N 1.560 121.106 119.600 -0.090 0.000 2.080 144 M HA -0.162 4.317 4.480 -0.001 0.000 0.260 144 M C 2.208 178.382 176.300 -0.210 0.000 1.068 144 M CA 1.574 56.793 55.300 -0.136 0.000 1.109 144 M CB -0.073 32.459 32.600 -0.112 0.000 1.342 144 M HN 0.241 nan 8.290 nan 0.000 0.405 145 L N -0.523 120.503 121.223 -0.330 0.000 2.217 145 L HA 0.212 4.551 4.340 -0.001 0.000 0.211 145 L C 2.374 179.022 176.870 -0.371 0.000 1.107 145 L CA 1.595 56.192 54.840 -0.405 0.000 0.783 145 L CB -1.602 40.111 42.059 -0.577 0.000 0.919 145 L HN 0.196 nan 8.230 nan 0.000 0.442 146 A N 0.776 123.507 122.820 -0.149 0.000 1.902 146 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 146 A C 2.291 179.916 177.584 0.069 0.000 1.181 146 A CA 2.202 54.330 52.037 0.150 0.000 0.623 146 A CB -0.912 18.271 19.000 0.304 0.000 0.818 146 A HN 0.515 nan 8.150 nan 0.000 0.443 147 I N -0.148 120.372 120.570 -0.083 0.000 2.142 147 I HA -0.254 3.915 4.170 -0.001 0.000 0.240 147 I C 1.995 178.063 176.117 -0.082 0.000 1.078 147 I CA 1.636 62.882 61.300 -0.090 0.000 1.343 147 I CB -0.468 37.455 38.000 -0.129 0.000 1.046 147 I HN 0.247 nan 8.210 nan 0.000 0.405 148 D N 0.505 120.814 120.400 -0.151 0.000 2.097 148 D HA -0.138 4.501 4.640 -0.001 0.000 0.195 148 D C 2.352 178.525 176.300 -0.213 0.000 0.989 148 D CA 1.036 54.934 54.000 -0.170 0.000 0.827 148 D CB -0.247 40.435 40.800 -0.197 0.000 0.966 148 D HN 0.147 nan 8.370 nan 0.000 0.456 149 R N 0.229 120.512 120.500 -0.362 0.000 2.092 149 R HA 0.008 4.348 4.340 -0.001 0.000 0.231 149 R C 2.270 178.473 176.300 -0.162 0.000 1.119 149 R CA 0.788 56.581 56.100 -0.511 0.000 0.970 149 R CB -1.209 28.230 30.300 -1.434 0.000 0.864 149 R HN 0.231 nan 8.270 nan 0.000 0.440 150 T N 1.087 115.690 114.554 0.082 0.000 2.737 150 T HA -0.064 4.285 4.350 -0.001 0.000 0.265 150 T C 1.918 176.694 174.700 0.127 0.000 1.038 150 T CA 1.086 63.339 62.100 0.254 0.000 1.144 150 T CB -0.079 69.053 68.868 0.439 0.000 0.866 150 T HN 0.281 nan 8.240 nan 0.000 0.434 151 R N 0.807 121.340 120.500 0.055 0.000 2.096 151 R HA -0.095 4.244 4.340 -0.001 0.000 0.235 151 R C 2.583 178.885 176.300 0.003 0.000 1.127 151 R CA 1.491 57.608 56.100 0.028 0.000 0.968 151 R CB -0.224 30.073 30.300 -0.004 0.000 0.861 151 R HN 0.585 nan 8.270 nan 0.000 0.440 152 E N 1.170 121.345 120.200 -0.041 0.000 2.015 152 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 152 E C 1.938 178.510 176.600 -0.046 0.000 0.991 152 E CA 1.001 57.365 56.400 -0.059 0.000 0.802 152 E CB -0.020 29.613 29.700 -0.111 0.000 0.759 152 E HN 0.240 nan 8.360 nan 0.000 0.447 153 L N 0.156 121.334 121.223 -0.076 0.000 2.156 153 L HA -0.044 4.296 4.340 -0.001 0.000 0.208 153 L C 2.454 179.360 176.870 0.059 0.000 1.095 153 L CA 0.611 55.397 54.840 -0.091 0.000 0.770 153 L CB -0.166 41.657 42.059 -0.394 0.000 0.914 153 L HN 0.049 nan 8.230 nan 0.000 0.439 154 R N 0.599 121.159 120.500 0.100 0.000 2.317 154 R HA 0.069 4.408 4.340 -0.001 0.000 0.208 154 R C 0.134 176.488 176.300 0.091 0.000 0.914 154 R CA -0.030 56.150 56.100 0.134 0.000 1.060 154 R CB -0.038 30.366 30.300 0.173 0.000 1.015 154 R HN 0.234 nan 8.270 nan 0.000 0.498 155 K N 0.801 121.235 120.400 0.058 0.000 3.150 155 K HA -0.157 4.162 4.320 -0.001 0.000 0.267 155 K C -0.703 175.922 176.600 0.041 0.000 1.028 155 K CA 0.449 56.760 56.287 0.040 0.000 0.753 155 K CB -1.709 30.814 32.500 0.039 0.000 1.288 155 K HN 0.182 nan 8.250 nan 0.000 0.473 156 I N 1.084 121.680 120.570 0.043 0.000 2.297 156 I HA 0.017 4.186 4.170 -0.001 0.000 0.291 156 I C 1.450 177.579 176.117 0.020 0.000 1.033 156 I CA -0.132 61.191 61.300 0.039 0.000 1.253 156 I CB 1.468 39.498 38.000 0.050 0.000 1.396 156 I HN 0.229 nan 8.210 nan 0.000 0.476 157 S N 3.147 118.856 115.700 0.016 0.000 2.478 157 S HA 0.130 4.599 4.470 -0.001 0.000 0.222 157 S C 0.516 175.117 174.600 0.002 0.000 1.008 157 S CA -0.067 58.136 58.200 0.006 0.000 0.928 157 S CB 0.106 63.309 63.200 0.005 0.000 0.781 157 S HN 0.705 nan 8.310 nan 0.000 0.518 158 E N 0.202 120.405 120.200 0.006 0.000 2.308 158 E HA 0.603 4.952 4.350 -0.001 0.000 0.275 158 E C -1.378 175.224 176.600 0.004 0.000 0.890 158 E CA -0.691 55.710 56.400 0.002 0.000 0.754 158 E CB 1.738 31.440 29.700 0.002 0.000 1.207 158 E HN 0.179 nan 8.360 nan 0.000 0.426 159 R N 3.874 124.372 120.500 -0.003 0.000 2.574 159 R HA 0.449 4.788 4.340 -0.001 0.000 0.288 159 R C -2.538 173.756 176.300 -0.010 0.000 1.004 159 R CA -1.800 54.298 56.100 -0.004 0.000 0.895 159 R CB 1.494 31.789 30.300 -0.007 0.000 1.191 159 R HN 0.399 nan 8.270 nan 0.000 0.444 160 P HA 0.217 nan 4.420 nan 0.000 0.272 160 P C -2.599 174.691 177.300 -0.017 0.000 1.230 160 P CA -1.212 61.881 63.100 -0.011 0.000 0.788 160 P CB 0.085 31.779 31.700 -0.009 0.000 0.949 161 P HA 0.049 nan 4.420 nan 0.000 0.265 161 P C -0.458 176.829 177.300 -0.023 0.000 1.193 161 P CA 0.186 63.273 63.100 -0.022 0.000 0.765 161 P CB 0.264 31.953 31.700 -0.018 0.000 0.823 162 Q N 3.119 122.902 119.800 -0.029 0.000 2.260 162 Q HA 0.378 4.717 4.340 -0.001 0.000 0.242 162 Q C -1.846 174.140 176.000 -0.025 0.000 0.932 162 Q CA -1.744 54.041 55.803 -0.030 0.000 0.891 162 Q CB -0.507 28.205 28.738 -0.043 0.000 1.222 162 Q HN 0.410 nan 8.270 nan 0.000 0.453 163 P HA 0.116 nan 4.420 nan 0.000 0.274 163 P C -0.491 176.803 177.300 -0.009 0.000 1.231 163 P CA -0.328 62.766 63.100 -0.011 0.000 0.790 163 P CB 0.782 32.478 31.700 -0.007 0.000 0.951 164 E N 1.238 121.442 120.200 0.007 0.000 2.415 164 E HA 0.069 4.418 4.350 -0.001 0.000 0.263 164 E C -0.007 176.616 176.600 0.037 0.000 0.995 164 E CA -0.342 56.076 56.400 0.030 0.000 0.915 164 E CB 0.181 29.921 29.700 0.066 0.000 0.951 164 E HN 0.342 nan 8.360 nan 0.000 0.449 165 L N 4.602 125.848 121.223 0.038 0.000 2.628 165 L HA -0.162 4.177 4.340 -0.001 0.000 0.292 165 L C 1.645 178.545 176.870 0.050 0.000 1.250 165 L CA -0.033 54.828 54.840 0.035 0.000 0.892 165 L CB 0.288 42.376 42.059 0.047 0.000 1.138 165 L HN 0.618 nan 8.230 nan 0.000 0.502 166 V N 3.091 123.008 119.914 0.006 0.000 2.295 166 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 166 V C 2.372 178.463 176.094 -0.006 0.000 1.049 166 V CA 2.636 64.934 62.300 -0.003 0.000 1.024 166 V CB -0.244 31.570 31.823 -0.015 0.000 0.648 166 V HN 1.164 nan 8.190 nan 0.000 0.447 167 T N -2.438 112.073 114.554 -0.072 0.000 2.720 167 T HA -0.320 4.029 4.350 -0.001 0.000 0.268 167 T C 1.852 176.673 174.700 0.200 0.000 1.037 167 T CA 2.242 64.286 62.100 -0.093 0.000 1.144 167 T CB -0.797 67.750 68.868 -0.536 0.000 0.864 167 T HN 0.644 nan 8.240 nan 0.000 0.444 168 Y N 2.004 122.306 120.300 0.003 0.000 2.263 168 Y HA 0.102 4.651 4.550 -0.001 0.000 0.292 168 Y C 2.919 178.759 175.900 -0.099 0.000 1.130 168 Y CA 1.113 59.185 58.100 -0.047 0.000 1.179 168 Y CB -0.118 38.315 38.460 -0.046 0.000 0.998 168 Y HN 0.089 nan 8.280 nan 0.000 0.532 169 R N 0.297 120.766 120.500 -0.052 0.000 2.091 169 R HA -0.163 4.176 4.340 -0.001 0.000 0.238 169 R C 2.082 178.277 176.300 -0.175 0.000 1.136 169 R CA 1.530 57.556 56.100 -0.123 0.000 0.959 169 R CB -0.098 30.186 30.300 -0.027 0.000 0.856 169 R HN 0.141 nan 8.270 nan 0.000 0.437 170 R N 0.647 121.098 120.500 -0.082 0.000 2.115 170 R HA -0.074 4.265 4.340 -0.001 0.000 0.230 170 R C 2.256 178.387 176.300 -0.282 0.000 1.111 170 R CA 0.808 56.898 56.100 -0.016 0.000 0.976 170 R CB -0.836 29.609 30.300 0.242 0.000 0.870 170 R HN 0.375 nan 8.270 nan 0.000 0.445 171 L N 0.812 121.653 121.223 -0.638 0.000 1.994 171 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 171 L C 2.487 178.865 176.870 -0.820 0.000 1.071 171 L CA 1.538 55.596 54.840 -1.303 0.000 0.745 171 L CB -0.200 41.051 42.059 -1.347 0.000 0.892 171 L HN 0.135 nan 8.230 nan 0.000 0.431 172 R N -0.625 119.446 120.500 -0.715 0.000 2.119 172 R HA -0.231 4.108 4.340 -0.001 0.000 0.246 172 R C 2.334 178.434 176.300 -0.334 0.000 1.146 172 R CA 1.805 57.603 56.100 -0.503 0.000 0.962 172 R CB -0.379 29.653 30.300 -0.446 0.000 0.863 172 R HN 0.418 nan 8.270 nan 0.000 0.442 173 R N 0.062 120.391 120.500 -0.285 0.000 2.080 173 R HA -0.134 4.205 4.340 -0.001 0.000 0.236 173 R C 2.357 178.554 176.300 -0.172 0.000 1.137 173 R CA 1.797 57.789 56.100 -0.180 0.000 0.943 173 R CB -0.634 29.595 30.300 -0.119 0.000 0.846 173 R HN 0.092 nan 8.270 nan 0.000 0.431 174 V N 1.690 121.473 119.914 -0.218 0.000 2.332 174 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 174 V C 2.323 178.300 176.094 -0.196 0.000 1.055 174 V CA 1.694 63.888 62.300 -0.178 0.000 1.038 174 V CB -0.441 31.264 31.823 -0.197 0.000 0.651 174 V HN 0.299 nan 8.190 nan 0.000 0.450 175 L N -0.114 120.950 121.223 -0.266 0.000 2.201 175 L HA -0.089 4.251 4.340 -0.001 0.000 0.212 175 L C 2.639 179.407 176.870 -0.171 0.000 1.105 175 L CA 1.205 55.910 54.840 -0.224 0.000 0.775 175 L CB -0.696 41.209 42.059 -0.256 0.000 0.913 175 L HN 0.355 nan 8.230 nan 0.000 0.440 176 A N -0.327 122.396 122.820 -0.160 0.000 1.897 176 A HA -0.231 4.088 4.320 -0.001 0.000 0.215 176 A C 2.031 179.557 177.584 -0.096 0.000 1.181 176 A CA 1.824 53.790 52.037 -0.118 0.000 0.620 176 A CB -0.423 18.511 19.000 -0.109 0.000 0.821 176 A HN 0.335 nan 8.150 nan 0.000 0.443 177 D N -0.663 119.679 120.400 -0.096 0.000 2.149 177 D HA -0.020 4.619 4.640 -0.001 0.000 0.201 177 D C 0.678 176.927 176.300 -0.084 0.000 0.972 177 D CA 0.871 54.827 54.000 -0.074 0.000 0.835 177 D CB -0.060 40.705 40.800 -0.060 0.000 0.966 177 D HN 0.412 nan 8.370 nan 0.000 0.476 178 M N 0.389 119.919 119.600 -0.117 0.000 2.741 178 M HA 0.255 4.735 4.480 -0.001 0.000 0.283 178 M C -2.019 174.173 176.300 -0.180 0.000 1.176 178 M CA -1.567 53.639 55.300 -0.157 0.000 1.139 178 M CB 2.210 34.699 32.600 -0.184 0.000 1.234 178 M HN -0.206 nan 8.290 nan 0.000 0.497 179 P HA 0.035 nan 4.420 nan 0.000 0.235 179 P C -0.008 177.214 177.300 -0.129 0.000 1.177 179 P CA 0.545 63.572 63.100 -0.122 0.000 0.785 179 P CB 0.285 31.937 31.700 -0.079 0.000 0.885 180 E N 0.150 120.243 120.200 -0.179 0.000 2.383 180 E HA -0.044 4.305 4.350 -0.001 0.000 0.264 180 E C 1.059 177.543 176.600 -0.194 0.000 1.050 180 E CA -0.084 56.223 56.400 -0.154 0.000 0.896 180 E CB 0.621 30.238 29.700 -0.138 0.000 0.982 180 E HN -0.125 nan 8.360 nan 0.000 0.424 181 Q N 4.021 123.793 119.800 -0.046 0.000 2.077 181 Q HA -0.197 4.142 4.340 -0.001 0.000 0.206 181 Q C 1.811 177.811 176.000 0.000 0.000 0.989 181 Q CA 2.275 58.072 55.803 -0.010 0.000 0.853 181 Q CB -0.249 28.520 28.738 0.050 0.000 0.907 181 Q HN 0.819 nan 8.270 nan 0.000 0.418 182 W N 0.262 121.570 121.300 0.013 0.000 2.402 182 W HA -0.081 4.578 4.660 -0.002 0.000 0.286 182 W C 1.011 177.570 176.519 0.067 0.000 1.221 182 W CA 1.182 58.547 57.345 0.033 0.000 1.257 182 W CB -0.470 29.010 29.460 0.034 0.000 1.120 182 W HN 0.222 nan 8.180 nan 0.000 0.551 183 E N 1.107 120.660 120.200 -1.079 0.000 2.047 183 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 183 E C 2.314 178.714 176.600 -0.333 0.000 0.987 183 E CA 1.446 57.287 56.400 -0.931 0.000 0.799 183 E CB -0.358 28.799 29.700 -0.905 0.000 0.752 183 E HN 0.287 nan 8.360 nan 0.000 0.449 184 R N 0.929 121.282 120.500 -0.244 0.000 2.127 184 R HA -0.139 4.201 4.340 -0.001 0.000 0.238 184 R C 1.775 178.064 176.300 -0.017 0.000 1.134 184 R CA 1.318 57.345 56.100 -0.122 0.000 0.975 184 R CB -0.145 30.088 30.300 -0.111 0.000 0.865 184 R HN 0.164 nan 8.270 nan 0.000 0.447 185 D N 0.620 121.044 120.400 0.040 0.000 2.117 185 D HA -0.119 4.520 4.640 -0.001 0.000 0.197 185 D C 1.903 178.417 176.300 0.358 0.000 0.987 185 D CA 0.951 55.045 54.000 0.157 0.000 0.829 185 D CB -0.069 40.774 40.800 0.072 0.000 0.961 185 D HN 0.084 nan 8.370 nan 0.000 0.460 186 I N 1.185 121.942 120.570 0.313 0.000 2.179 186 I HA -0.186 3.983 4.170 -0.001 0.000 0.242 186 I C 2.456 178.673 176.117 0.166 0.000 1.088 186 I CA 0.774 62.230 61.300 0.259 0.000 1.357 186 I CB -1.317 36.801 38.000 0.198 0.000 1.051 186 I HN -0.106 nan 8.210 nan 0.000 0.409 187 A N 0.818 123.704 122.820 0.111 0.000 1.877 187 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 187 A C 2.573 180.272 177.584 0.192 0.000 1.186 187 A CA 1.792 53.910 52.037 0.134 0.000 0.620 187 A CB -1.020 17.983 19.000 0.005 0.000 0.822 187 A HN 0.233 nan 8.150 nan 0.000 0.443 188 V N 0.084 120.073 119.914 0.124 0.000 2.287 188 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 188 V C 2.494 178.696 176.094 0.181 0.000 1.053 188 V CA 1.969 64.351 62.300 0.137 0.000 1.027 188 V CB -0.692 31.187 31.823 0.093 0.000 0.646 188 V HN 0.620 nan 8.190 nan 0.000 0.447 189 L N -0.347 120.988 121.223 0.187 0.000 2.017 189 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 189 L C 2.459 179.366 176.870 0.061 0.000 1.073 189 L CA 1.846 56.758 54.840 0.120 0.000 0.745 189 L CB -0.218 41.882 42.059 0.068 0.000 0.894 189 L HN 0.212 nan 8.230 nan 0.000 0.432 190 V N -1.125 118.847 119.914 0.096 0.000 2.295 190 V HA -0.337 3.783 4.120 -0.001 0.000 0.246 190 V C 2.217 178.348 176.094 0.062 0.000 1.049 190 V CA 1.923 64.255 62.300 0.054 0.000 1.024 190 V CB -0.683 31.186 31.823 0.077 0.000 0.648 190 V HN 0.603 nan 8.190 nan 0.000 0.447 191 W N 0.838 122.138 121.300 -0.001 0.000 2.335 191 W HA -0.178 4.481 4.660 -0.002 0.000 0.311 191 W C 2.381 178.887 176.519 -0.021 0.000 1.213 191 W CA 1.953 59.333 57.345 0.059 0.000 1.274 191 W CB -0.702 28.824 29.460 0.110 0.000 1.148 191 W HN 0.404 nan 8.180 nan 0.000 0.498 192 G N -0.048 108.832 108.800 0.134 0.000 2.418 192 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.217 192 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.217 192 G C 1.643 176.423 174.900 -0.200 0.000 1.158 192 G CA 1.540 46.596 45.100 -0.072 0.000 0.771 192 G HN 0.310 nan 8.290 nan 0.000 0.545 193 A N 0.050 122.773 122.820 -0.162 0.000 1.898 193 A HA 0.114 4.433 4.320 -0.001 0.000 0.216 193 A C 2.604 180.047 177.584 -0.235 0.000 1.181 193 A CA 1.771 53.710 52.037 -0.164 0.000 0.620 193 A CB -0.577 18.357 19.000 -0.110 0.000 0.819 193 A HN 0.248 nan 8.150 nan 0.000 0.442 194 V N -0.079 119.624 119.914 -0.352 0.000 2.307 194 V HA -0.228 3.891 4.120 -0.001 0.000 0.245 194 V C 3.067 178.680 176.094 -0.802 0.000 1.045 194 V CA 1.829 63.804 62.300 -0.540 0.000 1.024 194 V CB -1.270 30.161 31.823 -0.654 0.000 0.651 194 V HN 0.607 nan 8.190 nan 0.000 0.449 195 A N -0.416 121.828 122.820 -0.959 0.000 1.917 195 A HA -0.235 4.084 4.320 -0.001 0.000 0.219 195 A C 2.145 179.534 177.584 -0.324 0.000 1.182 195 A CA 1.872 53.438 52.037 -0.785 0.000 0.633 195 A CB -0.371 18.480 19.000 -0.248 0.000 0.819 195 A HN 0.543 nan 8.150 nan 0.000 0.448 196 E N -0.835 119.240 120.200 -0.209 0.000 2.371 196 E HA -0.047 4.303 4.350 -0.001 0.000 0.194 196 E C 1.737 178.328 176.600 -0.015 0.000 1.012 196 E CA 1.349 57.735 56.400 -0.024 0.000 0.860 196 E CB -0.155 29.577 29.700 0.054 0.000 0.811 196 E HN 0.837 nan 8.360 nan 0.000 0.502 197 T N -2.897 111.591 114.554 -0.110 0.000 3.023 197 T HA 0.132 4.481 4.350 -0.001 0.000 0.253 197 T C 0.967 175.596 174.700 -0.118 0.000 1.038 197 T CA -0.308 61.747 62.100 -0.075 0.000 0.962 197 T CB -0.200 68.629 68.868 -0.063 0.000 1.018 197 T HN -0.077 nan 8.240 nan 0.000 0.521 198 C N 2.630 121.792 119.300 -0.230 0.000 2.258 198 C HA 0.595 5.054 4.460 -0.001 0.000 0.321 198 C C 0.270 175.135 174.990 -0.208 0.000 1.168 198 C CA -1.560 57.255 59.018 -0.338 0.000 1.531 198 C CB -1.178 26.192 27.740 -0.617 0.000 2.095 198 C HN 0.561 nan 8.230 nan 0.000 0.449 199 I N 3.850 124.374 120.570 -0.078 0.000 2.379 199 I HA 0.089 4.258 4.170 -0.001 0.000 0.290 199 I C 0.681 176.846 176.117 0.081 0.000 1.063 199 I CA 0.131 61.451 61.300 0.032 0.000 1.351 199 I CB 0.150 38.233 38.000 0.138 0.000 1.410 199 I HN 0.612 nan 8.210 nan 0.000 0.505 200 N N 5.020 123.736 118.700 0.027 0.000 2.294 200 N HA -0.084 4.655 4.740 -0.001 0.000 0.263 200 N C 0.979 176.447 175.510 -0.070 0.000 1.281 200 N CA 0.524 53.594 53.050 0.033 0.000 0.846 200 N CB 1.110 39.631 38.487 0.056 0.000 1.061 200 N HN 0.790 nan 8.380 nan 0.000 0.478 201 A N 5.313 128.107 122.820 -0.044 0.000 1.917 201 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 201 A C 2.315 179.583 177.584 -0.527 0.000 1.182 201 A CA 1.236 53.048 52.037 -0.376 0.000 0.633 201 A CB -0.500 18.505 19.000 0.008 0.000 0.819 201 A HN 0.781 nan 8.150 nan 0.000 0.448 202 L N -1.263 119.804 121.223 -0.261 0.000 2.083 202 L HA -0.180 4.159 4.340 -0.001 0.000 0.209 202 L C 2.557 179.193 176.870 -0.389 0.000 1.083 202 L CA 1.113 55.764 54.840 -0.314 0.000 0.752 202 L CB -0.641 41.291 42.059 -0.212 0.000 0.899 202 L HN 0.463 nan 8.230 nan 0.000 0.433 203 L N 0.514 121.599 121.223 -0.231 0.000 1.990 203 L HA -0.235 4.104 4.340 -0.001 0.000 0.213 203 L C 2.626 179.347 176.870 -0.248 0.000 1.072 203 L CA 2.319 57.070 54.840 -0.149 0.000 0.755 203 L CB -0.767 41.241 42.059 -0.085 0.000 0.889 203 L HN 0.169 nan 8.230 nan 0.000 0.432 204 A N -1.099 121.471 122.820 -0.418 0.000 1.929 204 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 204 A C 2.225 179.528 177.584 -0.469 0.000 1.176 204 A CA 1.682 53.449 52.037 -0.450 0.000 0.628 204 A CB -0.768 17.810 19.000 -0.704 0.000 0.816 204 A HN 0.511 nan 8.150 nan 0.000 0.444 205 L N -0.741 120.117 121.223 -0.609 0.000 2.156 205 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 205 L C 2.388 179.058 176.870 -0.334 0.000 1.095 205 L CA 0.622 55.188 54.840 -0.456 0.000 0.770 205 L CB -0.422 41.356 42.059 -0.468 0.000 0.914 205 L HN 0.331 nan 8.230 nan 0.000 0.439 206 L N -0.412 120.609 121.223 -0.336 0.000 2.109 206 L HA -0.118 4.221 4.340 -0.001 0.000 0.207 206 L C 2.872 179.644 176.870 -0.163 0.000 1.086 206 L CA 0.963 55.645 54.840 -0.265 0.000 0.760 206 L CB -0.693 41.222 42.059 -0.241 0.000 0.910 206 L HN 0.209 nan 8.230 nan 0.000 0.437 207 A N 1.152 123.893 122.820 -0.133 0.000 1.940 207 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 207 A C 2.292 179.830 177.584 -0.076 0.000 1.176 207 A CA 1.886 53.881 52.037 -0.070 0.000 0.631 207 A CB -0.524 18.448 19.000 -0.047 0.000 0.814 207 A HN 0.577 nan 8.150 nan 0.000 0.446 208 R N -0.740 119.699 120.500 -0.102 0.000 2.317 208 R HA 0.129 4.468 4.340 -0.001 0.000 0.208 208 R C -0.324 175.918 176.300 -0.097 0.000 0.914 208 R CA 0.191 56.243 56.100 -0.080 0.000 1.060 208 R CB -0.192 30.070 30.300 -0.064 0.000 1.015 208 R HN 0.289 nan 8.270 nan 0.000 0.498 209 D N 1.161 121.484 120.400 -0.129 0.000 2.317 209 D HA 0.127 4.766 4.640 -0.001 0.000 0.252 209 D C 0.025 176.247 176.300 -0.130 0.000 1.174 209 D CA 0.068 53.983 54.000 -0.141 0.000 0.866 209 D CB 1.684 42.371 40.800 -0.188 0.000 1.127 209 D HN 0.355 nan 8.370 nan 0.000 0.467 210 A N 2.802 125.556 122.820 -0.111 0.000 2.308 210 A HA -0.002 4.317 4.320 -0.001 0.000 0.217 210 A C 1.678 179.192 177.584 -0.116 0.000 1.216 210 A CA 0.505 52.479 52.037 -0.105 0.000 0.864 210 A CB -0.012 18.940 19.000 -0.081 0.000 0.902 210 A HN 0.623 nan 8.150 nan 0.000 0.499 211 T N -1.668 112.811 114.554 -0.125 0.000 3.037 211 T HA 0.296 4.645 4.350 -0.001 0.000 0.252 211 T C 0.869 175.477 174.700 -0.153 0.000 1.073 211 T CA 0.404 62.431 62.100 -0.122 0.000 1.091 211 T CB -0.650 68.158 68.868 -0.100 0.000 0.935 211 T HN 0.507 nan 8.240 nan 0.000 0.488 212 I N -0.962 119.495 120.570 -0.189 0.000 2.934 212 I HA 0.474 4.643 4.170 -0.001 0.000 0.315 212 I C -0.166 175.746 176.117 -0.342 0.000 0.997 212 I CA -1.427 59.725 61.300 -0.246 0.000 1.184 212 I CB 0.665 38.513 38.000 -0.255 0.000 1.400 212 I HN -0.164 nan 8.210 nan 0.000 0.549 213 Q N 2.943 122.431 119.800 -0.519 0.000 2.436 213 Q HA -0.018 4.322 4.340 -0.001 0.000 0.326 213 Q C -1.620 174.044 176.000 -0.560 0.000 1.079 213 Q CA -0.710 54.676 55.803 -0.696 0.000 1.049 213 Q CB 0.300 28.241 28.738 -1.328 0.000 1.047 213 Q HN 0.491 nan 8.270 nan 0.000 0.386 214 P HA -0.204 nan 4.420 nan 0.000 0.217 214 P C 1.177 178.310 177.300 -0.278 0.000 1.148 214 P CA 1.490 64.418 63.100 -0.287 0.000 0.828 214 P CB -0.009 31.550 31.700 -0.236 0.000 0.783 215 M N -2.724 116.634 119.600 -0.403 0.000 2.492 215 M HA -0.006 4.474 4.480 -0.001 0.000 0.262 215 M C 1.503 177.758 176.300 -0.075 0.000 1.090 215 M CA 1.601 56.688 55.300 -0.355 0.000 1.110 215 M CB -2.043 30.061 32.600 -0.827 0.000 1.407 215 M HN -0.037 nan 8.290 nan 0.000 0.470 216 H N 1.926 120.798 119.070 -0.330 0.000 2.333 216 H HA 0.073 4.628 4.556 -0.001 0.000 0.302 216 H C 2.552 177.790 175.328 -0.150 0.000 1.075 216 H CA 2.027 57.855 56.048 -0.367 0.000 1.348 216 H CB -0.837 28.309 29.762 -1.027 0.000 1.393 216 H HN 0.611 nan 8.280 nan 0.000 0.509 217 S N 0.564 116.222 115.700 -0.069 0.000 2.402 217 S HA -0.096 4.373 4.470 -0.001 0.000 0.229 217 S C 2.175 176.771 174.600 -0.008 0.000 1.021 217 S CA 0.960 59.127 58.200 -0.055 0.000 0.974 217 S CB -0.549 62.587 63.200 -0.107 0.000 0.800 217 S HN 0.210 nan 8.310 nan 0.000 0.484 218 L N 1.678 122.892 121.223 -0.015 0.000 2.005 218 L HA 0.201 4.541 4.340 -0.001 0.000 0.207 218 L C 2.244 179.157 176.870 0.072 0.000 1.072 218 L CA 1.464 56.312 54.840 0.013 0.000 0.744 218 L CB -0.696 41.353 42.059 -0.016 0.000 0.895 218 L HN 0.290 nan 8.230 nan 0.000 0.433 219 I N -0.396 120.238 120.570 0.106 0.000 2.194 219 I HA -0.358 3.812 4.170 -0.001 0.000 0.246 219 I C 2.346 178.553 176.117 0.151 0.000 1.093 219 I CA 1.993 63.361 61.300 0.112 0.000 1.355 219 I CB -0.660 37.406 38.000 0.110 0.000 1.046 219 I HN 0.520 nan 8.210 nan 0.000 0.413 220 T N -3.361 111.316 114.554 0.204 0.000 2.904 220 T HA -0.095 4.254 4.350 -0.001 0.000 0.267 220 T C 1.811 176.583 174.700 0.120 0.000 1.059 220 T CA 1.456 63.683 62.100 0.212 0.000 1.137 220 T CB -0.681 68.299 68.868 0.187 0.000 0.879 220 T HN 0.199 nan 8.240 nan 0.000 0.467 221 T N 2.520 117.121 114.554 0.080 0.000 2.708 221 T HA 0.075 4.424 4.350 -0.001 0.000 0.266 221 T C 1.878 176.628 174.700 0.083 0.000 1.037 221 T CA 1.265 63.399 62.100 0.056 0.000 1.146 221 T CB -0.550 68.338 68.868 0.033 0.000 0.865 221 T HN 0.289 nan 8.240 nan 0.000 0.435 222 L N -0.217 121.071 121.223 0.108 0.000 2.017 222 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 222 L C 2.515 179.475 176.870 0.150 0.000 1.073 222 L CA 1.745 56.667 54.840 0.137 0.000 0.745 222 L CB -0.597 41.569 42.059 0.178 0.000 0.894 222 L HN 0.444 nan 8.230 nan 0.000 0.432 223 H N -0.513 118.550 119.070 -0.012 0.000 2.326 223 H HA -0.211 4.344 4.556 -0.001 0.000 0.301 223 H C 2.250 177.509 175.328 -0.115 0.000 1.081 223 H CA 1.267 57.196 56.048 -0.198 0.000 1.334 223 H CB 0.270 29.964 29.762 -0.114 0.000 1.385 223 H HN 0.135 nan 8.280 nan 0.000 0.504 224 L N 1.309 122.588 121.223 0.093 0.000 2.042 224 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 224 L C 2.577 179.479 176.870 0.054 0.000 1.076 224 L CA 1.637 56.497 54.840 0.034 0.000 0.749 224 L CB -0.702 41.370 42.059 0.022 0.000 0.893 224 L HN 0.191 nan 8.230 nan 0.000 0.432 225 R N -0.628 119.914 120.500 0.070 0.000 2.083 225 R HA -0.197 4.142 4.340 -0.001 0.000 0.237 225 R C 1.897 178.238 176.300 0.068 0.000 1.137 225 R CA 2.055 58.196 56.100 0.069 0.000 0.951 225 R CB -0.364 29.977 30.300 0.069 0.000 0.851 225 R HN 0.438 nan 8.270 nan 0.000 0.434 226 D N 0.031 120.479 120.400 0.081 0.000 2.097 226 D HA -0.162 4.478 4.640 -0.001 0.000 0.195 226 D C 1.783 177.954 176.300 -0.215 0.000 0.989 226 D CA 1.210 55.221 54.000 0.019 0.000 0.827 226 D CB -0.213 40.712 40.800 0.209 0.000 0.966 226 D HN 0.260 nan 8.370 nan 0.000 0.456 227 E N 0.035 120.181 120.200 -0.090 0.000 2.150 227 E HA -0.103 4.246 4.350 -0.001 0.000 0.193 227 E C 1.821 178.451 176.600 0.050 0.000 0.985 227 E CA 1.162 57.538 56.400 -0.040 0.000 0.814 227 E CB -0.199 29.518 29.700 0.029 0.000 0.752 227 E HN 0.110 nan 8.360 nan 0.000 0.466 228 T N 0.090 114.675 114.554 0.052 0.000 2.684 228 T HA -0.196 4.153 4.350 -0.001 0.000 0.267 228 T C 1.823 176.586 174.700 0.105 0.000 1.036 228 T CA 1.542 63.688 62.100 0.077 0.000 1.148 228 T CB -0.509 68.401 68.868 0.070 0.000 0.863 228 T HN 0.349 nan 8.240 nan 0.000 0.436 229 A N 1.250 124.140 122.820 0.118 0.000 1.877 229 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 229 A C 1.954 179.699 177.584 0.268 0.000 1.186 229 A CA 1.694 53.838 52.037 0.179 0.000 0.620 229 A CB -1.034 18.095 19.000 0.215 0.000 0.822 229 A HN 0.714 nan 8.150 nan 0.000 0.443 230 H N -1.054 118.113 119.070 0.163 0.000 2.352 230 H HA -0.129 4.426 4.556 -0.001 0.000 0.299 230 H C 2.437 177.859 175.328 0.157 0.000 1.097 230 H CA 0.425 56.583 56.048 0.183 0.000 1.311 230 H CB -0.148 29.780 29.762 0.278 0.000 1.377 230 H HN 0.555 nan 8.280 nan 0.000 0.504 231 G N 0.205 109.154 108.800 0.248 0.000 2.446 231 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.217 231 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.217 231 G C 1.896 176.860 174.900 0.106 0.000 1.168 231 G CA 1.083 46.266 45.100 0.138 0.000 0.771 231 G HN 0.289 nan 8.290 nan 0.000 0.551 232 S N 0.477 116.242 115.700 0.108 0.000 2.368 232 S HA -0.064 4.405 4.470 -0.001 0.000 0.225 232 S C 2.300 176.947 174.600 0.079 0.000 1.030 232 S CA 1.012 59.260 58.200 0.079 0.000 0.999 232 S CB -0.245 63.001 63.200 0.076 0.000 0.844 232 S HN 0.390 nan 8.310 nan 0.000 0.459 233 I N 1.029 121.660 120.570 0.103 0.000 2.118 233 I HA -0.190 3.979 4.170 -0.001 0.000 0.241 233 I C 2.223 178.390 176.117 0.083 0.000 1.070 233 I CA 1.044 62.390 61.300 0.077 0.000 1.327 233 I CB -0.518 37.513 38.000 0.053 0.000 1.034 233 I HN 0.140 nan 8.210 nan 0.000 0.405 234 V N 0.285 120.271 119.914 0.121 0.000 2.343 234 V HA -0.244 3.875 4.120 -0.001 0.000 0.247 234 V C 2.431 178.554 176.094 0.048 0.000 1.051 234 V CA 1.614 63.980 62.300 0.108 0.000 1.036 234 V CB -0.366 31.523 31.823 0.110 0.000 0.654 234 V HN 0.250 nan 8.190 nan 0.000 0.451 235 V N -0.203 119.731 119.914 0.035 0.000 2.332 235 V HA -0.232 3.887 4.120 -0.001 0.000 0.248 235 V C 2.603 178.704 176.094 0.011 0.000 1.055 235 V CA 1.937 64.241 62.300 0.008 0.000 1.038 235 V CB -0.618 31.206 31.823 0.003 0.000 0.651 235 V HN 0.566 nan 8.190 nan 0.000 0.450 236 E N -0.065 120.150 120.200 0.025 0.000 2.047 236 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 236 E C 2.336 178.952 176.600 0.028 0.000 0.987 236 E CA 1.232 57.647 56.400 0.025 0.000 0.799 236 E CB -0.561 29.155 29.700 0.026 0.000 0.752 236 E HN 0.480 nan 8.360 nan 0.000 0.449 237 V N 1.255 121.190 119.914 0.035 0.000 2.261 237 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 237 V C 2.633 178.744 176.094 0.029 0.000 1.047 237 V CA 1.435 63.759 62.300 0.039 0.000 1.015 237 V CB -0.600 31.259 31.823 0.060 0.000 0.642 237 V HN 0.048 nan 8.190 nan 0.000 0.446 238 V N 0.216 120.139 119.914 0.015 0.000 2.332 238 V HA -0.294 3.825 4.120 -0.001 0.000 0.248 238 V C 2.610 178.718 176.094 0.023 0.000 1.055 238 V CA 2.371 64.665 62.300 -0.011 0.000 1.038 238 V CB -0.900 30.899 31.823 -0.041 0.000 0.651 238 V HN 0.499 nan 8.190 nan 0.000 0.450 239 R N 0.077 120.590 120.500 0.022 0.000 2.094 239 R HA -0.214 4.126 4.340 -0.001 0.000 0.239 239 R C 2.304 178.665 176.300 0.102 0.000 1.137 239 R CA 2.042 58.178 56.100 0.060 0.000 0.943 239 R CB -0.282 30.038 30.300 0.034 0.000 0.850 239 R HN 0.529 nan 8.270 nan 0.000 0.433 240 E N 0.668 120.906 120.200 0.063 0.000 2.077 240 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 240 E C 2.166 178.800 176.600 0.056 0.000 0.989 240 E CA 0.948 57.382 56.400 0.056 0.000 0.800 240 E CB -0.211 29.514 29.700 0.042 0.000 0.746 240 E HN 0.432 nan 8.360 nan 0.000 0.452 241 L N -0.140 121.111 121.223 0.047 0.000 2.156 241 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 241 L C 2.503 179.391 176.870 0.030 0.000 1.095 241 L CA 0.759 55.609 54.840 0.016 0.000 0.770 241 L CB -0.440 41.576 42.059 -0.072 0.000 0.914 241 L HN 0.109 nan 8.230 nan 0.000 0.439 242 Y N 1.101 121.364 120.300 -0.061 0.000 2.165 242 Y HA -0.279 4.270 4.550 -0.002 0.000 0.286 242 Y C 2.498 178.389 175.900 -0.014 0.000 1.155 242 Y CA 1.191 59.265 58.100 -0.042 0.000 1.164 242 Y CB -0.269 38.172 38.460 -0.033 0.000 0.978 242 Y HN 0.114 nan 8.280 nan 0.000 0.513 243 A N 0.073 122.887 122.820 -0.011 0.000 2.019 243 A HA -0.139 4.180 4.320 -0.001 0.000 0.219 243 A C 2.095 179.622 177.584 -0.095 0.000 1.164 243 A CA 1.484 53.477 52.037 -0.073 0.000 0.644 243 A CB -0.315 18.689 19.000 0.008 0.000 0.805 243 A HN 0.380 nan 8.150 nan 0.000 0.449 244 R N -1.334 119.132 120.500 -0.058 0.000 2.334 244 R HA 0.313 4.652 4.340 -0.001 0.000 0.212 244 R C 0.187 176.469 176.300 -0.030 0.000 0.897 244 R CA -0.040 56.044 56.100 -0.026 0.000 1.056 244 R CB -0.240 30.072 30.300 0.020 0.000 1.046 244 R HN 0.505 nan 8.270 nan 0.000 0.513 245 M N 2.151 121.708 119.600 -0.072 0.000 2.241 245 M HA 0.040 4.520 4.480 -0.001 0.000 0.335 245 M C 0.358 176.615 176.300 -0.072 0.000 1.122 245 M CA -0.288 54.988 55.300 -0.041 0.000 1.164 245 M CB 0.705 33.282 32.600 -0.038 0.000 1.459 245 M HN 0.017 nan 8.290 nan 0.000 0.461 246 N N 0.501 119.176 118.700 -0.041 0.000 2.408 246 N HA 0.082 4.821 4.740 -0.001 0.000 0.260 246 N C 0.304 175.780 175.510 -0.057 0.000 1.242 246 N CA -0.447 52.565 53.050 -0.062 0.000 0.959 246 N CB 0.432 38.872 38.487 -0.078 0.000 1.201 246 N HN 0.620 nan 8.380 nan 0.000 0.511 247 E N -0.512 119.656 120.200 -0.054 0.000 2.086 247 E HA -0.384 3.965 4.350 -0.001 0.000 0.205 247 E C 1.533 178.138 176.600 0.009 0.000 1.027 247 E CA 2.247 58.630 56.400 -0.028 0.000 0.830 247 E CB -0.130 29.556 29.700 -0.023 0.000 0.751 247 E HN 0.852 nan 8.360 nan 0.000 0.456 248 Q N -0.119 119.675 119.800 -0.011 0.000 2.369 248 Q HA -0.134 4.206 4.340 -0.001 0.000 0.206 248 Q C 1.799 177.916 176.000 0.194 0.000 0.963 248 Q CA 0.843 56.675 55.803 0.050 0.000 0.894 248 Q CB -0.034 28.661 28.738 -0.072 0.000 0.965 248 Q HN 0.342 nan 8.270 nan 0.000 0.475 249 Q N 0.777 120.661 119.800 0.139 0.000 2.033 249 Q HA 0.012 4.351 4.340 -0.001 0.000 0.196 249 Q C 2.169 178.297 176.000 0.214 0.000 0.970 249 Q CA 0.677 56.650 55.803 0.283 0.000 0.828 249 Q CB 0.053 28.912 28.738 0.202 0.000 0.895 249 Q HN 0.328 nan 8.270 nan 0.000 0.440 250 R N 0.656 121.221 120.500 0.108 0.000 2.113 250 R HA -0.179 4.160 4.340 -0.001 0.000 0.244 250 R C 2.339 178.749 176.300 0.182 0.000 1.142 250 R CA 1.577 57.750 56.100 0.122 0.000 0.953 250 R CB -0.213 30.069 30.300 -0.029 0.000 0.860 250 R HN 0.193 nan 8.270 nan 0.000 0.438 251 R N -0.250 120.340 120.500 0.150 0.000 2.112 251 R HA -0.187 4.152 4.340 -0.001 0.000 0.242 251 R C 2.310 178.702 176.300 0.154 0.000 1.137 251 R CA 1.792 57.980 56.100 0.146 0.000 0.944 251 R CB -0.470 29.914 30.300 0.141 0.000 0.857 251 R HN 0.262 nan 8.270 nan 0.000 0.435 252 A N 0.914 123.848 122.820 0.190 0.000 1.969 252 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 252 A C 2.139 179.799 177.584 0.126 0.000 1.169 252 A CA 0.958 53.083 52.037 0.147 0.000 0.635 252 A CB -0.419 18.668 19.000 0.145 0.000 0.810 252 A HN 0.329 nan 8.150 nan 0.000 0.445 253 L N -0.274 121.040 121.223 0.152 0.000 2.027 253 L HA -0.112 4.228 4.340 -0.001 0.000 0.206 253 L C 2.354 179.280 176.870 0.092 0.000 1.074 253 L CA 1.418 56.333 54.840 0.125 0.000 0.745 253 L CB -0.166 41.991 42.059 0.162 0.000 0.898 253 L HN 0.198 nan 8.230 nan 0.000 0.433 254 V N 0.020 120.005 119.914 0.118 0.000 2.343 254 V HA -0.252 3.868 4.120 -0.001 0.000 0.247 254 V C 2.573 178.703 176.094 0.060 0.000 1.051 254 V CA 1.969 64.317 62.300 0.080 0.000 1.036 254 V CB -0.788 31.101 31.823 0.110 0.000 0.654 254 V HN 0.445 nan 8.190 nan 0.000 0.451 255 R N -1.211 119.332 120.500 0.073 0.000 2.189 255 R HA -0.091 4.248 4.340 -0.001 0.000 0.218 255 R C 2.257 178.592 176.300 0.058 0.000 1.074 255 R CA 1.337 57.474 56.100 0.061 0.000 0.991 255 R CB -0.624 29.715 30.300 0.066 0.000 0.883 255 R HN 0.490 nan 8.270 nan 0.000 0.457 256 C N 0.534 119.875 119.300 0.068 0.000 2.485 256 C HA 0.116 4.575 4.460 -0.001 0.000 0.278 256 C C 2.464 177.471 174.990 0.029 0.000 1.356 256 C CA 0.114 59.187 59.018 0.090 0.000 1.747 256 C CB -0.848 26.964 27.740 0.120 0.000 2.001 256 C HN 0.458 nan 8.230 nan 0.000 0.501 257 L N 1.874 123.087 121.223 -0.017 0.000 1.990 257 L HA -0.113 4.226 4.340 -0.001 0.000 0.213 257 L C -0.185 176.578 176.870 -0.179 0.000 1.072 257 L CA 2.141 56.923 54.840 -0.096 0.000 0.755 257 L CB -1.608 40.407 42.059 -0.073 0.000 0.889 257 L HN 0.282 nan 8.230 nan 0.000 0.432 258 P HA -0.158 nan 4.420 nan 0.000 0.220 258 P C 1.693 178.890 177.300 -0.171 0.000 1.148 258 P CA 1.567 64.563 63.100 -0.173 0.000 0.803 258 P CB -0.035 31.647 31.700 -0.030 0.000 0.782 259 I N 0.002 120.521 120.570 -0.086 0.000 2.286 259 I HA -0.162 4.007 4.170 -0.001 0.000 0.245 259 I C 2.641 178.641 176.117 -0.194 0.000 1.104 259 I CA 1.332 62.620 61.300 -0.020 0.000 1.397 259 I CB -1.048 37.035 38.000 0.138 0.000 1.072 259 I HN -0.106 nan 8.210 nan 0.000 0.417 260 A N 1.370 123.891 122.820 -0.498 0.000 1.902 260 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 260 A C 2.318 179.621 177.584 -0.468 0.000 1.181 260 A CA 1.462 52.875 52.037 -1.039 0.000 0.623 260 A CB -0.897 17.457 19.000 -1.076 0.000 0.818 260 A HN 0.364 nan 8.150 nan 0.000 0.443 261 L N -1.068 119.871 121.223 -0.475 0.000 2.046 261 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 261 L C 2.624 179.245 176.870 -0.415 0.000 1.077 261 L CA 1.724 56.188 54.840 -0.625 0.000 0.747 261 L CB -0.468 40.721 42.059 -1.451 0.000 0.896 261 L HN 0.362 nan 8.230 nan 0.000 0.432 262 E N 0.190 120.233 120.200 -0.262 0.000 2.077 262 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 262 E C 2.206 178.848 176.600 0.071 0.000 0.989 262 E CA 1.408 57.849 56.400 0.069 0.000 0.800 262 E CB -0.178 29.570 29.700 0.080 0.000 0.746 262 E HN 0.405 nan 8.360 nan 0.000 0.452 263 A N -0.472 122.343 122.820 -0.009 0.000 1.908 263 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 263 A C 1.919 179.438 177.584 -0.108 0.000 1.181 263 A CA 1.386 53.402 52.037 -0.035 0.000 0.627 263 A CB -0.812 18.165 19.000 -0.039 0.000 0.818 263 A HN 0.344 nan 8.150 nan 0.000 0.445 264 F N -0.696 119.230 119.950 -0.040 0.000 2.748 264 F HA 0.201 4.727 4.527 -0.002 0.000 0.299 264 F C 2.339 178.263 175.800 0.207 0.000 1.154 264 F CA 0.653 58.671 58.000 0.031 0.000 1.446 264 F CB 0.114 39.069 39.000 -0.076 0.000 1.112 264 F HN 0.271 nan 8.300 nan 0.000 0.584 265 A N -0.327 122.742 122.820 0.415 0.000 2.115 265 A HA 0.052 4.371 4.320 -0.001 0.000 0.211 265 A C 0.788 178.510 177.584 0.230 0.000 1.169 265 A CA -0.238 52.068 52.037 0.448 0.000 0.787 265 A CB -0.543 18.720 19.000 0.439 0.000 0.858 265 A HN 0.373 nan 8.150 nan 0.000 0.474 266 E N 1.415 121.703 120.200 0.146 0.000 2.299 266 E HA 0.199 4.548 4.350 -0.001 0.000 0.272 266 E C -0.922 175.722 176.600 0.074 0.000 1.043 266 E CA -0.263 56.191 56.400 0.090 0.000 0.895 266 E CB 0.219 29.955 29.700 0.060 0.000 1.011 266 E HN 0.419 nan 8.360 nan 0.000 0.432 267 Q N 3.348 123.192 119.800 0.074 0.000 2.360 267 Q HA 0.160 4.499 4.340 -0.001 0.000 0.254 267 Q C -1.174 174.856 176.000 0.050 0.000 0.975 267 Q CA -0.455 55.389 55.803 0.069 0.000 0.912 267 Q CB 1.156 29.942 28.738 0.080 0.000 1.212 267 Q HN 0.530 nan 8.270 nan 0.000 0.452 268 D N 2.654 123.078 120.400 0.041 0.000 2.256 268 D HA 0.185 4.824 4.640 -0.001 0.000 0.240 268 D C -0.115 176.205 176.300 0.033 0.000 1.062 268 D CA -0.515 53.503 54.000 0.030 0.000 0.832 268 D CB 1.089 41.900 40.800 0.019 0.000 1.135 268 D HN 0.256 nan 8.370 nan 0.000 0.484 269 L N 2.723 123.964 121.223 0.029 0.000 2.592 269 L HA 0.172 4.511 4.340 -0.001 0.000 0.227 269 L C 2.051 178.930 176.870 0.016 0.000 1.127 269 L CA 0.591 55.449 54.840 0.031 0.000 0.884 269 L CB -0.664 41.412 42.059 0.029 0.000 1.065 269 L HN 0.406 nan 8.230 nan 0.000 0.457 270 S N 0.170 115.876 115.700 0.009 0.000 2.383 270 S HA -0.183 4.287 4.470 -0.001 0.000 0.229 270 S C 2.139 176.737 174.600 -0.003 0.000 1.030 270 S CA 1.317 59.516 58.200 -0.001 0.000 1.002 270 S CB -0.083 63.117 63.200 -0.001 0.000 0.829 270 S HN 0.527 nan 8.310 nan 0.000 0.467 271 A N 0.907 123.730 122.820 0.005 0.000 2.066 271 A HA 0.089 4.408 4.320 -0.001 0.000 0.218 271 A C 1.856 179.448 177.584 0.014 0.000 1.157 271 A CA 0.705 52.745 52.037 0.005 0.000 0.670 271 A CB -0.303 18.701 19.000 0.006 0.000 0.804 271 A HN 0.349 nan 8.150 nan 0.000 0.453 272 L N -0.979 120.262 121.223 0.029 0.000 2.044 272 L HA -0.081 4.258 4.340 -0.001 0.000 0.205 272 L C 2.395 179.236 176.870 -0.049 0.000 1.075 272 L CA 1.453 56.321 54.840 0.047 0.000 0.747 272 L CB -1.546 40.577 42.059 0.107 0.000 0.903 272 L HN 0.466 nan 8.230 nan 0.000 0.435 273 L N -0.729 120.458 121.223 -0.061 0.000 2.261 273 L HA -0.179 4.161 4.340 -0.001 0.000 0.216 273 L C 2.202 179.032 176.870 -0.067 0.000 1.114 273 L CA 1.407 56.194 54.840 -0.088 0.000 0.777 273 L CB -0.396 41.626 42.059 -0.062 0.000 0.910 273 L HN 0.138 nan 8.230 nan 0.000 0.440 274 L N -1.231 119.967 121.223 -0.040 0.000 2.162 274 L HA -0.022 4.317 4.340 -0.001 0.000 0.205 274 L C 2.365 179.223 176.870 -0.021 0.000 1.086 274 L CA 1.097 55.920 54.840 -0.027 0.000 0.778 274 L CB -0.602 41.447 42.059 -0.018 0.000 0.928 274 L HN 0.302 nan 8.230 nan 0.000 0.446 275 E N 0.235 120.427 120.200 -0.013 0.000 2.106 275 E HA -0.181 4.168 4.350 -0.001 0.000 0.192 275 E C 2.273 178.875 176.600 0.004 0.000 0.984 275 E CA 0.934 57.340 56.400 0.011 0.000 0.806 275 E CB -0.248 29.479 29.700 0.044 0.000 0.750 275 E HN 0.457 nan 8.360 nan 0.000 0.458 276 L N 0.701 121.886 121.223 -0.063 0.000 2.201 276 L HA -0.155 4.184 4.340 -0.001 0.000 0.212 276 L C 1.893 178.732 176.870 -0.051 0.000 1.105 276 L CA 1.017 55.799 54.840 -0.096 0.000 0.775 276 L CB -0.369 41.539 42.059 -0.252 0.000 0.913 276 L HN 0.120 nan 8.230 nan 0.000 0.440 277 N N -0.086 118.588 118.700 -0.044 0.000 2.173 277 N HA -0.066 4.674 4.740 -0.001 0.000 0.184 277 N C 1.937 177.445 175.510 -0.004 0.000 1.025 277 N CA 0.848 53.883 53.050 -0.025 0.000 0.852 277 N CB -0.198 38.273 38.487 -0.027 0.000 0.998 277 N HN 0.239 nan 8.380 nan 0.000 0.427 278 A N 0.618 123.439 122.820 0.003 0.000 2.139 278 A HA -0.021 4.298 4.320 -0.001 0.000 0.221 278 A C 1.975 179.579 177.584 0.034 0.000 1.159 278 A CA 1.757 53.805 52.037 0.018 0.000 0.662 278 A CB -0.468 18.543 19.000 0.020 0.000 0.796 278 A HN 0.391 nan 8.150 nan 0.000 0.463 279 A N -2.758 120.083 122.820 0.036 0.000 2.288 279 A HA 0.468 4.787 4.320 -0.001 0.000 0.216 279 A C 1.658 179.262 177.584 0.033 0.000 1.199 279 A CA 1.045 53.112 52.037 0.050 0.000 0.891 279 A CB -0.259 18.786 19.000 0.076 0.000 0.923 279 A HN 1.846 nan 8.150 nan 0.000 0.500 280 G N -0.171 108.639 108.800 0.017 0.000 2.132 280 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.234 280 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.234 280 G C 0.017 174.912 174.900 -0.008 0.000 0.989 280 G CA 0.084 45.189 45.100 0.009 0.000 0.676 280 G HN 0.434 nan 8.290 nan 0.000 0.522 281 I N 1.438 121.999 120.570 -0.014 0.000 2.452 281 I HA 0.196 4.366 4.170 -0.001 0.000 0.287 281 I C 1.235 177.331 176.117 -0.034 0.000 1.079 281 I CA -0.353 60.934 61.300 -0.023 0.000 1.387 281 I CB 0.458 38.460 38.000 0.003 0.000 1.404 281 I HN 0.081 nan 8.210 nan 0.000 0.522 282 R N 4.282 124.766 120.500 -0.027 0.000 2.543 282 R HA 0.266 4.605 4.340 -0.001 0.000 0.277 282 R C 0.985 177.265 176.300 -0.033 0.000 1.074 282 R CA 0.430 56.515 56.100 -0.024 0.000 1.076 282 R CB 0.553 30.846 30.300 -0.012 0.000 0.993 282 R HN 0.996 nan 8.270 nan 0.000 0.459 283 G N 1.431 110.207 108.800 -0.039 0.000 2.160 283 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.244 283 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.244 283 G C 0.853 175.690 174.900 -0.105 0.000 1.022 283 G CA 0.240 45.309 45.100 -0.051 0.000 0.741 283 G HN 0.757 nan 8.290 nan 0.000 0.508 284 A N -0.441 122.312 122.820 -0.111 0.000 1.940 284 A HA 0.041 4.360 4.320 -0.001 0.000 0.219 284 A C 2.051 179.542 177.584 -0.155 0.000 1.176 284 A CA 2.335 54.274 52.037 -0.163 0.000 0.631 284 A CB -0.266 18.654 19.000 -0.134 0.000 0.814 284 A HN 0.597 nan 8.150 nan 0.000 0.446 285 E N -0.530 119.610 120.200 -0.099 0.000 2.077 285 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 285 E C 1.990 178.548 176.600 -0.070 0.000 0.989 285 E CA 1.435 57.791 56.400 -0.073 0.000 0.800 285 E CB -0.174 29.499 29.700 -0.045 0.000 0.746 285 E HN 0.806 nan 8.360 nan 0.000 0.452 286 E N 0.282 120.441 120.200 -0.068 0.000 2.051 286 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 286 E C 1.955 178.500 176.600 -0.092 0.000 0.991 286 E CA 1.245 57.620 56.400 -0.042 0.000 0.799 286 E CB -0.147 29.551 29.700 -0.003 0.000 0.748 286 E HN 0.226 nan 8.360 nan 0.000 0.449 287 I N 0.394 120.803 120.570 -0.267 0.000 2.091 287 I HA -0.324 3.845 4.170 -0.001 0.000 0.239 287 I C 2.384 178.389 176.117 -0.188 0.000 1.061 287 I CA 1.215 62.236 61.300 -0.466 0.000 1.317 287 I CB -0.354 37.295 38.000 -0.585 0.000 1.031 287 I HN 0.107 nan 8.210 nan 0.000 0.401 288 V N 1.017 120.839 119.914 -0.154 0.000 2.407 288 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 288 V C 2.553 178.636 176.094 -0.017 0.000 1.055 288 V CA 2.069 64.327 62.300 -0.070 0.000 1.049 288 V CB -1.451 30.328 31.823 -0.074 0.000 0.662 288 V HN 0.614 nan 8.190 nan 0.000 0.455 289 G N -0.172 108.618 108.800 -0.018 0.000 2.446 289 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.217 289 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.217 289 G C 1.239 176.163 174.900 0.039 0.000 1.168 289 G CA 1.018 46.124 45.100 0.011 0.000 0.771 289 G HN 0.492 nan 8.290 nan 0.000 0.551 290 D N 0.243 120.683 120.400 0.067 0.000 2.218 290 D HA -0.002 4.637 4.640 -0.001 0.000 0.204 290 D C 1.668 178.033 176.300 0.108 0.000 0.976 290 D CA 0.230 54.301 54.000 0.119 0.000 0.853 290 D CB -0.007 40.944 40.800 0.253 0.000 0.939 290 D HN 0.249 nan 8.370 nan 0.000 0.481 301 V N 0.752 120.814 119.914 0.247 0.000 2.637 301 V HA 0.392 4.512 4.120 -0.001 0.000 0.296 301 V C 0.820 177.132 176.094 0.363 0.000 1.046 301 V CA -0.018 62.460 62.300 0.296 0.000 1.066 301 V CB 0.846 32.831 31.823 0.269 0.000 0.968 301 V HN 0.400 nan 8.190 nan 0.000 0.483 302 R N 3.761 124.442 120.500 0.301 0.000 2.811 302 R HA 0.113 4.452 4.340 -0.001 0.000 0.265 302 R C -0.230 176.155 176.300 0.141 0.000 1.026 302 R CA -0.168 56.015 56.100 0.139 0.000 1.142 302 R CB 0.158 30.280 30.300 -0.298 0.000 1.027 302 R HN 0.863 nan 8.270 nan 0.000 0.465 303 D N 1.361 121.843 120.400 0.137 0.000 2.352 303 D HA 0.016 4.655 4.640 -0.001 0.000 0.245 303 D C -0.281 175.995 176.300 -0.041 0.000 1.224 303 D CA -0.092 53.906 54.000 -0.004 0.000 0.879 303 D CB 0.161 40.934 40.800 -0.044 0.000 1.057 303 D HN 0.352 nan 8.370 nan 0.000 0.491 304 F N 1.749 121.764 119.950 0.109 0.000 2.773 304 F HA 0.045 4.572 4.527 -0.001 0.000 0.304 304 F C 2.339 178.189 175.800 0.083 0.000 1.129 304 F CA -0.146 57.961 58.000 0.179 0.000 1.378 304 F CB 0.123 39.366 39.000 0.405 0.000 1.095 304 F HN 0.292 nan 8.300 nan 0.000 0.565 305 S N 0.273 116.046 115.700 0.123 0.000 2.359 305 S HA -0.204 4.266 4.470 -0.001 0.000 0.224 305 S C 2.572 177.163 174.600 -0.015 0.000 1.035 305 S CA 1.534 59.744 58.200 0.017 0.000 1.018 305 S CB -0.903 62.287 63.200 -0.017 0.000 0.876 305 S HN 0.549 nan 8.310 nan 0.000 0.448 306 G N 1.113 109.915 108.800 0.003 0.000 2.422 306 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.218 306 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.218 306 G C 1.524 176.414 174.900 -0.017 0.000 1.146 306 G CA 0.911 46.006 45.100 -0.008 0.000 0.769 306 G HN 0.591 nan 8.290 nan 0.000 0.547 307 A N 0.362 123.197 122.820 0.026 0.000 1.968 307 A HA 0.081 4.401 4.320 -0.001 0.000 0.217 307 A C 2.298 179.870 177.584 -0.020 0.000 1.169 307 A CA 1.590 53.665 52.037 0.063 0.000 0.638 307 A CB -0.401 18.734 19.000 0.226 0.000 0.812 307 A HN 0.334 nan 8.150 nan 0.000 0.446 308 R N 0.093 120.462 120.500 -0.218 0.000 2.091 308 R HA -0.163 4.176 4.340 -0.001 0.000 0.238 308 R C 2.016 178.138 176.300 -0.297 0.000 1.136 308 R CA 1.924 57.658 56.100 -0.610 0.000 0.959 308 R CB -0.233 29.640 30.300 -0.712 0.000 0.856 308 R HN 0.529 nan 8.270 nan 0.000 0.437 309 K N 0.141 120.439 120.400 -0.170 0.000 2.057 309 K HA -0.177 4.143 4.320 -0.001 0.000 0.207 309 K C 2.139 178.686 176.600 -0.089 0.000 1.049 309 K CA 1.855 58.078 56.287 -0.108 0.000 0.931 309 K CB -0.200 32.261 32.500 -0.066 0.000 0.714 309 K HN 0.220 nan 8.250 nan 0.000 0.440 310 M N 0.779 120.332 119.600 -0.078 0.000 2.108 310 M HA -0.192 4.287 4.480 -0.001 0.000 0.261 310 M C 1.900 178.142 176.300 -0.096 0.000 1.066 310 M CA 1.510 56.766 55.300 -0.073 0.000 1.107 310 M CB 0.016 32.580 32.600 -0.061 0.000 1.356 310 M HN -0.041 nan 8.290 nan 0.000 0.406 311 V N 0.866 120.727 119.914 -0.087 0.000 2.343 311 V HA -0.281 3.838 4.120 -0.001 0.000 0.247 311 V C 2.043 178.084 176.094 -0.089 0.000 1.051 311 V CA 2.263 64.518 62.300 -0.074 0.000 1.036 311 V CB -0.761 31.062 31.823 0.001 0.000 0.654 311 V HN 0.556 nan 8.190 nan 0.000 0.451 312 E N -0.642 119.501 120.200 -0.096 0.000 2.031 312 E HA -0.252 4.097 4.350 -0.001 0.000 0.193 312 E C 2.349 178.913 176.600 -0.060 0.000 0.994 312 E CA 1.227 57.584 56.400 -0.073 0.000 0.800 312 E CB -0.214 29.441 29.700 -0.075 0.000 0.752 312 E HN 0.486 nan 8.360 nan 0.000 0.447 313 Q N 0.132 119.894 119.800 -0.064 0.000 2.297 313 Q HA -0.113 4.226 4.340 -0.001 0.000 0.208 313 Q C 2.013 177.977 176.000 -0.059 0.000 0.981 313 Q CA 0.985 56.760 55.803 -0.047 0.000 0.876 313 Q CB 0.023 28.737 28.738 -0.041 0.000 0.921 313 Q HN 0.395 nan 8.270 nan 0.000 0.446 314 L N -1.258 119.883 121.223 -0.137 0.000 2.592 314 L HA 0.168 4.508 4.340 -0.001 0.000 0.227 314 L C 1.065 177.856 176.870 -0.131 0.000 1.127 314 L CA 0.421 55.097 54.840 -0.273 0.000 0.884 314 L CB -0.181 41.501 42.059 -0.628 0.000 1.065 314 L HN 0.253 nan 8.230 nan 0.000 0.457 315 G N 1.187 109.955 108.800 -0.053 0.000 2.198 315 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 315 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 315 G C 0.456 175.354 174.900 -0.003 0.000 1.025 315 G CA 0.132 45.232 45.100 -0.001 0.000 0.769 315 G HN 0.366 nan 8.290 nan 0.000 0.507 316 L N 0.007 121.204 121.223 -0.043 0.000 2.912 316 L HA 0.248 4.587 4.340 -0.001 0.000 0.240 316 L C 1.522 178.403 176.870 0.018 0.000 1.262 316 L CA 0.049 54.877 54.840 -0.018 0.000 1.058 316 L CB 0.181 42.199 42.059 -0.068 0.000 1.383 316 L HN 0.136 nan 8.230 nan 0.000 0.512 317 D N 0.420 120.830 120.400 0.015 0.000 2.117 317 D HA -0.186 4.454 4.640 -0.001 0.000 0.197 317 D C 1.948 178.280 176.300 0.054 0.000 0.987 317 D CA 1.594 55.611 54.000 0.029 0.000 0.829 317 D CB 0.041 40.844 40.800 0.005 0.000 0.961 317 D HN 0.493 nan 8.370 nan 0.000 0.460 318 D N 0.018 120.444 120.400 0.042 0.000 2.333 318 D HA 0.386 5.025 4.640 -0.001 0.000 0.208 318 D C 1.976 178.305 176.300 0.049 0.000 0.984 318 D CA 0.830 54.855 54.000 0.043 0.000 0.873 318 D CB -0.420 40.399 40.800 0.032 0.000 0.935 318 D HN 0.293 nan 8.370 nan 0.000 0.521 319 A N -0.270 122.581 122.820 0.051 0.000 1.975 319 A HA 0.380 4.699 4.320 -0.001 0.000 0.215 319 A C 1.598 179.216 177.584 0.057 0.000 1.170 319 A CA 0.682 52.749 52.037 0.051 0.000 0.656 319 A CB -0.087 18.943 19.000 0.051 0.000 0.821 319 A HN 0.640 nan 8.150 nan 0.000 0.449 320 V N 1.894 121.853 119.914 0.075 0.000 2.389 320 V HA 0.230 4.349 4.120 -0.001 0.000 0.264 320 V C -0.806 175.343 176.094 0.091 0.000 1.049 320 V CA -0.549 61.803 62.300 0.087 0.000 0.932 320 V CB 0.628 32.529 31.823 0.129 0.000 1.011 320 V HN 0.394 nan 8.190 nan 0.000 0.475 321 D N 6.901 127.338 120.400 0.063 0.000 2.470 321 D HA 0.225 4.864 4.640 -0.001 0.000 0.226 321 D C -0.978 175.365 176.300 0.072 0.000 1.196 321 D CA 0.222 54.249 54.000 0.045 0.000 0.979 321 D CB -0.233 40.582 40.800 0.026 0.000 1.059 321 D HN 0.411 nan 8.370 nan 0.000 0.515 322 F N 1.826 121.663 119.950 -0.189 0.000 2.604 322 F HA 0.250 4.777 4.527 -0.001 0.000 0.316 322 F C -1.332 174.209 175.800 -0.431 0.000 1.136 322 F CA -1.165 56.613 58.000 -0.370 0.000 0.989 322 F CB 1.755 40.414 39.000 -0.569 0.000 1.258 322 F HN -0.077 nan 8.300 nan 0.000 0.451 323 D N 5.357 125.125 120.400 -1.052 0.000 2.456 323 D HA 0.288 4.927 4.640 -0.001 0.000 0.219 323 D C -0.806 174.916 176.300 -0.964 0.000 1.126 323 D CA 0.018 53.583 54.000 -0.725 0.000 0.890 323 D CB 0.249 40.769 40.800 -0.468 0.000 1.025 323 D HN 0.229 nan 8.370 nan 0.000 0.511 324 F N 3.903 123.567 119.950 -0.476 0.000 2.543 324 F HA 0.220 4.746 4.527 -0.002 0.000 0.375 324 F C -1.242 174.400 175.800 -0.263 0.000 1.075 324 F CA -1.454 56.350 58.000 -0.328 0.000 1.225 324 F CB 0.004 38.972 39.000 -0.053 0.000 1.099 324 F HN 0.293 nan 8.300 nan 0.000 0.561 325 P HA 0.231 nan 4.420 nan 0.000 0.272 325 P C -0.235 177.093 177.300 0.047 0.000 1.230 325 P CA -0.313 62.768 63.100 -0.032 0.000 0.788 325 P CB 0.330 32.043 31.700 0.022 0.000 0.949 326 E N 0.205 120.411 120.200 0.010 0.000 2.415 326 E HA 0.402 4.751 4.350 -0.001 0.000 0.262 326 E C 0.682 177.269 176.600 -0.022 0.000 1.038 326 E CA -0.189 56.207 56.400 -0.007 0.000 0.921 326 E CB -0.461 29.223 29.700 -0.026 0.000 0.950 326 E HN 0.689 nan 8.360 nan 0.000 0.438 327 R N 2.785 123.252 120.500 -0.055 0.000 2.538 327 R HA 0.392 4.732 4.340 -0.001 0.000 0.282 327 R C -1.998 174.162 176.300 -0.234 0.000 1.009 327 R CA -0.366 55.655 56.100 -0.132 0.000 1.063 327 R CB -1.075 29.150 30.300 -0.126 0.000 0.945 327 R HN 0.691 nan 8.270 nan 0.000 0.414 328 P HA 0.217 nan 4.420 nan 0.000 0.278 328 P C -0.316 176.589 177.300 -0.660 0.000 1.238 328 P CA -0.732 61.971 63.100 -0.660 0.000 0.794 328 P CB 1.031 31.945 31.700 -1.310 0.000 0.955 329 D N 0.783 120.937 120.400 -0.410 0.000 2.133 329 D HA -0.097 4.542 4.640 -0.001 0.000 0.195 329 D C 0.899 177.114 176.300 -0.141 0.000 0.997 329 D CA 1.119 55.001 54.000 -0.196 0.000 0.840 329 D CB -0.312 40.455 40.800 -0.055 0.000 0.947 329 D HN 0.535 nan 8.370 nan 0.000 0.452 330 W N 0.000 121.301 121.300 0.001 0.000 2.388 330 W HA 0.000 4.659 4.660 -0.002 0.000 0.303 330 W CA 0.000 57.343 57.345 -0.004 0.000 1.226 330 W CB 0.000 29.453 29.460 -0.012 0.000 1.126 330 W HN 0.000 nan 8.180 nan 0.000 0.535