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 3ale_1_C DATA FIRST_RESID 21 DATA SEQUENCE QRADGLAAVL AIGTANPPNC VTQEEIPDFY FRVTNSDHLT ALKDKFKRIC DATA SEQUENCE QEMGVQRRYL HHTEEMLSAH PEFVDRDAPS LDARLDIAAD AVPELAAEAA DATA SEQUENCE KKAIAEWGRP AADITHLVVT TNSGAHVPGV DFRLVPLLGL RPSVRRTMLH DATA SEQUENCE LNGCFAGCAA LRLAKDLAEN SRGARVLVVA AELTLMYFTG PDEGCFRTLL DATA SEQUENCE VQGLFGDGAA AVIVGADADD VERPLFEIVS AAQTIIPESD HALNMRFTER DATA SEQUENCE RLDGVLGRQV PGLIGDNVER CLLDMFGPXX XXXXXXGWND LFWAVHPGSS DATA SEQUENCE TIMDQVDAAL GLEPGKLAAS RRVLSDYGNM SGATVIFALD ELRRQRKXXX DATA SEQUENCE XXXXWPELGV MMAFGPGMTV DAMLLHATS 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 21 Q HA 0.000 nan 4.340 nan 0.000 0.214 21 Q C 0.000 176.010 176.000 0.017 0.000 1.003 21 Q CA 0.000 55.813 55.803 0.016 0.000 1.022 21 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 22 R N -0.039 120.468 120.500 0.011 0.000 2.797 22 R HA 0.831 5.169 4.340 -0.003 0.000 0.251 22 R C -0.452 175.851 176.300 0.005 0.000 1.107 22 R CA -0.474 55.630 56.100 0.006 0.000 1.084 22 R CB 1.055 31.357 30.300 0.003 0.000 1.205 22 R HN 0.625 nan 8.270 nan 0.000 0.515 23 A N 0.263 123.082 122.820 -0.001 0.000 2.287 23 A HA 0.160 4.479 4.320 -0.003 0.000 0.273 23 A C -0.142 177.440 177.584 -0.003 0.000 1.091 23 A CA -0.366 51.671 52.037 -0.001 0.000 0.817 23 A CB 0.287 19.284 19.000 -0.006 0.000 1.069 23 A HN 0.794 nan 8.150 nan 0.000 0.492 24 D N 0.180 120.579 120.400 -0.002 0.000 2.431 24 D HA 0.136 4.774 4.640 -0.003 0.000 0.235 24 D C 1.200 177.494 176.300 -0.010 0.000 0.980 24 D CA 1.338 55.335 54.000 -0.005 0.000 0.912 24 D CB -0.189 40.608 40.800 -0.004 0.000 1.056 24 D HN 0.618 nan 8.370 nan 0.000 0.494 25 G N 0.295 109.089 108.800 -0.010 0.000 2.568 25 G HA2 0.549 4.508 3.960 -0.003 0.000 0.293 25 G HA3 0.549 4.508 3.960 -0.003 0.000 0.293 25 G C -0.236 174.655 174.900 -0.016 0.000 1.347 25 G CA -0.574 44.516 45.100 -0.016 0.000 1.039 25 G HN 0.001 nan 8.290 nan 0.000 0.523 26 L N 0.462 121.673 121.223 -0.020 0.000 2.395 26 L HA 0.467 4.805 4.340 -0.003 0.000 0.269 26 L C 1.133 178.000 176.870 -0.005 0.000 1.133 26 L CA -0.713 54.118 54.840 -0.014 0.000 0.812 26 L CB 1.243 43.290 42.059 -0.019 0.000 1.125 26 L HN 0.577 nan 8.230 nan 0.000 0.452 27 A N 2.444 125.262 122.820 -0.003 0.000 2.477 27 A HA 0.588 4.906 4.320 -0.003 0.000 0.246 27 A C -0.008 177.587 177.584 0.019 0.000 1.078 27 A CA 0.189 52.224 52.037 -0.003 0.000 0.770 27 A CB 0.185 19.176 19.000 -0.014 0.000 1.011 27 A HN 0.807 nan 8.150 nan 0.000 0.494 28 A N 1.505 124.338 122.820 0.021 0.000 2.539 28 A HA 0.649 4.968 4.320 -0.003 0.000 0.296 28 A C -0.200 177.410 177.584 0.043 0.000 1.073 28 A CA -0.029 52.040 52.037 0.052 0.000 0.700 28 A CB 1.095 20.125 19.000 0.050 0.000 1.296 28 A HN 2.159 nan 8.150 nan 0.000 0.405 29 V N 1.043 121.011 119.914 0.090 0.000 2.470 29 V HA 0.405 4.523 4.120 -0.003 0.000 0.276 29 V C 0.480 176.609 176.094 0.057 0.000 1.040 29 V CA 0.053 62.395 62.300 0.072 0.000 1.008 29 V CB -0.074 31.842 31.823 0.155 0.000 0.990 29 V HN 0.755 nan 8.190 nan 0.000 0.477 30 L N 3.637 124.859 121.223 -0.001 0.000 2.513 30 L HA 0.658 4.997 4.340 -0.003 0.000 0.222 30 L C 0.988 177.900 176.870 0.070 0.000 1.096 30 L CA 0.883 55.751 54.840 0.048 0.000 0.857 30 L CB 0.089 42.187 42.059 0.064 0.000 1.026 30 L HN 0.926 nan 8.230 nan 0.000 0.469 31 A N 0.420 123.242 122.820 0.005 0.000 2.605 31 A HA 0.758 5.077 4.320 -0.003 0.000 0.294 31 A C -1.449 176.126 177.584 -0.015 0.000 1.062 31 A CA -0.352 51.701 52.037 0.026 0.000 0.682 31 A CB 1.478 20.517 19.000 0.066 0.000 1.278 31 A HN 0.027 nan 8.150 nan 0.000 0.410 32 I N 0.996 121.557 120.570 -0.015 0.000 2.548 32 I HA 0.577 4.746 4.170 -0.003 0.000 0.287 32 I C 0.269 176.328 176.117 -0.097 0.000 1.103 32 I CA -0.424 60.839 61.300 -0.062 0.000 1.049 32 I CB 2.435 40.402 38.000 -0.054 0.000 1.232 32 I HN 0.864 nan 8.210 nan 0.000 0.429 33 G N 3.100 111.821 108.800 -0.132 0.000 2.542 33 G HA2 0.777 4.735 3.960 -0.003 0.000 0.311 33 G HA3 0.777 4.735 3.960 -0.003 0.000 0.311 33 G C -0.741 174.002 174.900 -0.261 0.000 1.298 33 G CA -0.483 44.524 45.100 -0.154 0.000 0.973 33 G HN 0.535 nan 8.290 nan 0.000 0.487 34 T N -1.863 112.493 114.554 -0.329 0.000 2.916 34 T HA 0.893 5.241 4.350 -0.003 0.000 0.292 34 T C -0.325 174.233 174.700 -0.237 0.000 1.064 34 T CA -0.401 61.402 62.100 -0.496 0.000 1.011 34 T CB 2.173 70.348 68.868 -1.155 0.000 1.152 34 T HN 1.861 nan 8.240 nan 0.000 0.510 35 A N 1.384 124.138 122.820 -0.110 0.000 2.612 35 A HA 0.867 5.186 4.320 -0.003 0.000 0.293 35 A C -1.550 176.062 177.584 0.046 0.000 1.075 35 A CA -1.105 50.915 52.037 -0.028 0.000 0.680 35 A CB 1.350 20.338 19.000 -0.021 0.000 1.279 35 A HN 0.950 nan 8.150 nan 0.000 0.411 36 N N -0.331 118.359 118.700 -0.017 0.000 2.708 36 N HA 0.669 5.407 4.740 -0.003 0.000 0.257 36 N C -3.232 172.295 175.510 0.027 0.000 1.373 36 N CA -1.071 51.975 53.050 -0.007 0.000 0.843 36 N CB 1.664 40.038 38.487 -0.189 0.000 1.503 36 N HN 0.373 nan 8.380 nan 0.000 0.504 37 P HA 0.158 nan 4.420 nan 0.000 0.271 37 P C -1.680 175.738 177.300 0.197 0.000 1.218 37 P CA -0.934 62.273 63.100 0.179 0.000 0.780 37 P CB 0.492 32.328 31.700 0.226 0.000 0.901 38 P HA -0.137 nan 4.420 nan 0.000 0.221 38 P C 0.262 177.662 177.300 0.167 0.000 1.150 38 P CA 1.113 64.303 63.100 0.150 0.000 0.800 38 P CB -0.040 31.715 31.700 0.091 0.000 0.787 39 N N 0.669 119.435 118.700 0.110 0.000 2.410 39 N HA 0.005 4.744 4.740 -0.003 0.000 0.281 39 N C -0.631 174.863 175.510 -0.027 0.000 1.241 39 N CA -0.145 52.916 53.050 0.018 0.000 0.998 39 N CB -1.041 37.415 38.487 -0.051 0.000 1.376 39 N HN 0.042 nan 8.380 nan 0.000 0.490 40 C N 3.521 122.791 119.300 -0.050 0.000 2.466 40 C HA 0.712 5.170 4.460 -0.003 0.000 0.379 40 C C -0.352 174.465 174.990 -0.288 0.000 1.251 40 C CA -0.315 58.537 59.018 -0.276 0.000 2.263 40 C CB -0.323 27.288 27.740 -0.215 0.000 2.511 40 C HN 0.467 nan 8.230 nan 0.000 0.573 41 V N 5.591 125.291 119.914 -0.357 0.000 2.610 41 V HA 0.344 4.462 4.120 -0.003 0.000 0.298 41 V C 0.336 176.298 176.094 -0.220 0.000 1.067 41 V CA -0.377 61.754 62.300 -0.282 0.000 0.894 41 V CB 1.699 33.303 31.823 -0.364 0.000 1.015 41 V HN 1.040 nan 8.190 nan 0.000 0.432 42 T N 1.146 115.609 114.554 -0.153 0.000 2.860 42 T HA 0.188 4.537 4.350 -0.003 0.000 0.299 42 T C 0.865 175.519 174.700 -0.076 0.000 1.045 42 T CA 0.112 62.141 62.100 -0.118 0.000 1.071 42 T CB 1.386 70.203 68.868 -0.085 0.000 0.985 42 T HN 0.584 nan 8.240 nan 0.000 0.537 43 Q N 0.300 120.054 119.800 -0.077 0.000 2.364 43 Q HA -0.051 4.287 4.340 -0.003 0.000 0.209 43 Q C 1.660 177.626 176.000 -0.056 0.000 0.977 43 Q CA 1.406 57.170 55.803 -0.064 0.000 0.885 43 Q CB -0.248 28.439 28.738 -0.085 0.000 0.941 43 Q HN 0.844 nan 8.270 nan 0.000 0.464 44 E N -0.504 119.668 120.200 -0.046 0.000 2.482 44 E HA -0.070 4.278 4.350 -0.003 0.000 0.196 44 E C 0.764 177.367 176.600 0.005 0.000 1.047 44 E CA 0.671 57.052 56.400 -0.031 0.000 0.869 44 E CB 0.271 29.952 29.700 -0.033 0.000 0.836 44 E HN 0.462 nan 8.360 nan 0.000 0.520 45 E N -0.718 119.498 120.200 0.027 0.000 2.453 45 E HA 0.087 4.436 4.350 -0.003 0.000 0.211 45 E C 1.369 178.089 176.600 0.200 0.000 0.897 45 E CA -0.196 56.257 56.400 0.088 0.000 1.063 45 E CB 0.359 30.087 29.700 0.046 0.000 1.080 45 E HN 0.059 nan 8.360 nan 0.000 0.512 46 I N 1.940 122.626 120.570 0.195 0.000 2.113 46 I HA -0.226 3.942 4.170 -0.003 0.000 0.242 46 I C -0.691 175.814 176.117 0.646 0.000 1.057 46 I CA 1.806 63.347 61.300 0.401 0.000 1.314 46 I CB -2.291 35.909 38.000 0.333 0.000 1.022 46 I HN 0.040 nan 8.210 nan 0.000 0.408 47 P HA -0.154 nan 4.420 nan 0.000 0.214 47 P C 1.335 178.942 177.300 0.511 0.000 1.163 47 P CA 1.714 65.183 63.100 0.616 0.000 0.889 47 P CB -0.027 31.806 31.700 0.222 0.000 0.790 48 D N -1.786 118.814 120.400 0.333 0.000 2.117 48 D HA -0.156 4.482 4.640 -0.003 0.000 0.197 48 D C 1.786 178.290 176.300 0.339 0.000 0.987 48 D CA 0.966 55.132 54.000 0.276 0.000 0.829 48 D CB -0.803 40.114 40.800 0.194 0.000 0.961 48 D HN 0.127 nan 8.370 nan 0.000 0.460 49 F N 0.844 120.955 119.950 0.269 0.000 2.051 49 F HA -0.265 4.261 4.527 -0.002 0.000 0.296 49 F C 2.381 178.384 175.800 0.338 0.000 1.122 49 F CA 1.175 59.333 58.000 0.264 0.000 1.201 49 F CB -0.725 38.425 39.000 0.251 0.000 0.978 49 F HN -0.103 nan 8.300 nan 0.000 0.472 50 Y N 0.067 120.580 120.300 0.355 0.000 2.151 50 Y HA -0.274 4.275 4.550 -0.003 0.000 0.284 50 Y C 1.906 177.796 175.900 -0.017 0.000 1.166 50 Y CA 1.830 60.034 58.100 0.173 0.000 1.163 50 Y CB -1.130 37.487 38.460 0.261 0.000 0.974 50 Y HN 0.127 nan 8.280 nan 0.000 0.511 51 F N -0.247 119.612 119.950 -0.151 0.000 2.748 51 F HA 0.069 4.594 4.527 -0.003 0.000 0.299 51 F C 2.525 178.218 175.800 -0.177 0.000 1.154 51 F CA 1.042 58.887 58.000 -0.259 0.000 1.446 51 F CB -0.295 38.654 39.000 -0.085 0.000 1.112 51 F HN 0.001 nan 8.300 nan 0.000 0.584 52 R N 0.208 120.702 120.500 -0.010 0.000 2.105 52 R HA -0.021 4.318 4.340 -0.003 0.000 0.214 52 R C 2.283 178.507 176.300 -0.125 0.000 1.091 52 R CA 1.215 57.296 56.100 -0.032 0.000 1.007 52 R CB -0.249 30.057 30.300 0.010 0.000 0.912 52 R HN 0.211 nan 8.270 nan 0.000 0.450 53 V N -0.422 119.345 119.914 -0.246 0.000 2.515 53 V HA -0.081 4.038 4.120 -0.003 0.000 0.250 53 V C 1.806 177.828 176.094 -0.121 0.000 1.058 53 V CA 2.023 64.193 62.300 -0.217 0.000 1.064 53 V CB -0.754 30.855 31.823 -0.358 0.000 0.675 53 V HN 0.470 nan 8.190 nan 0.000 0.461 54 T N -2.279 112.133 114.554 -0.238 0.000 3.129 54 T HA 0.177 4.526 4.350 -0.003 0.000 0.251 54 T C 0.671 175.242 174.700 -0.214 0.000 1.117 54 T CA 0.453 62.391 62.100 -0.270 0.000 1.034 54 T CB -1.213 67.272 68.868 -0.637 0.000 0.968 54 T HN 0.705 nan 8.240 nan 0.000 0.526 55 N N 0.477 119.092 118.700 -0.143 0.000 2.740 55 N HA -0.147 4.592 4.740 -0.003 0.000 0.248 55 N C -0.250 175.257 175.510 -0.005 0.000 1.062 55 N CA 0.754 53.777 53.050 -0.044 0.000 0.704 55 N CB -1.681 36.796 38.487 -0.016 0.000 0.968 55 N HN 0.419 nan 8.380 nan 0.000 0.547 56 S N -1.135 114.496 115.700 -0.115 0.000 2.751 56 S HA 0.139 4.608 4.470 -0.003 0.000 0.247 56 S C 0.428 175.024 174.600 -0.007 0.000 1.103 56 S CA -0.630 57.455 58.200 -0.191 0.000 1.090 56 S CB 0.617 63.553 63.200 -0.440 0.000 0.928 56 S HN 0.237 nan 8.310 nan 0.000 0.502 57 D N 2.220 122.686 120.400 0.110 0.000 2.312 57 D HA -0.085 4.553 4.640 -0.003 0.000 0.211 57 D C 1.721 178.085 176.300 0.106 0.000 0.964 57 D CA 0.860 54.953 54.000 0.155 0.000 0.877 57 D CB -0.014 40.866 40.800 0.134 0.000 0.924 57 D HN 0.678 nan 8.370 nan 0.000 0.515 58 H N -0.781 118.342 119.070 0.088 0.000 2.547 58 H HA 0.029 4.583 4.556 -0.003 0.000 0.266 58 H C 0.545 175.918 175.328 0.075 0.000 0.988 58 H CA -0.002 56.083 56.048 0.061 0.000 1.147 58 H CB 0.025 29.810 29.762 0.038 0.000 1.365 58 H HN -0.002 nan 8.280 nan 0.000 0.589 59 L N 3.909 124.983 121.223 -0.248 0.000 2.865 59 L HA 0.077 4.416 4.340 -0.003 0.000 0.233 59 L C 1.633 178.496 176.870 -0.011 0.000 1.320 59 L CA 0.325 55.109 54.840 -0.093 0.000 1.225 59 L CB -0.529 41.507 42.059 -0.038 0.000 1.542 59 L HN 0.332 nan 8.230 nan 0.000 0.432 60 T N -2.319 112.225 114.554 -0.017 0.000 2.751 60 T HA -0.308 4.040 4.350 -0.003 0.000 0.268 60 T C 1.915 176.583 174.700 -0.053 0.000 1.045 60 T CA 1.546 63.618 62.100 -0.046 0.000 1.142 60 T CB 0.098 68.957 68.868 -0.014 0.000 0.851 60 T HN 0.398 nan 8.240 nan 0.000 0.474 61 A N 1.517 124.334 122.820 -0.006 0.000 1.855 61 A HA 0.208 4.526 4.320 -0.003 0.000 0.215 61 A C 2.493 180.091 177.584 0.023 0.000 1.191 61 A CA 1.311 53.355 52.037 0.011 0.000 0.613 61 A CB -0.967 18.059 19.000 0.044 0.000 0.829 61 A HN 0.502 nan 8.150 nan 0.000 0.442 62 L N -0.541 120.738 121.223 0.093 0.000 2.012 62 L HA -0.242 4.097 4.340 -0.003 0.000 0.210 62 L C 2.710 179.618 176.870 0.064 0.000 1.073 62 L CA 2.146 57.115 54.840 0.215 0.000 0.748 62 L CB -0.348 41.964 42.059 0.421 0.000 0.891 62 L HN 0.515 nan 8.230 nan 0.000 0.431 63 K N -0.043 120.108 120.400 -0.415 0.000 2.009 63 K HA -0.246 4.073 4.320 -0.003 0.000 0.210 63 K C 1.673 178.079 176.600 -0.324 0.000 1.049 63 K CA 2.118 57.789 56.287 -1.027 0.000 0.929 63 K CB -0.080 31.764 32.500 -1.092 0.000 0.714 63 K HN 0.232 nan 8.250 nan 0.000 0.440 64 D N 0.350 120.633 120.400 -0.195 0.000 2.182 64 D HA -0.170 4.468 4.640 -0.003 0.000 0.201 64 D C 1.724 177.980 176.300 -0.074 0.000 0.986 64 D CA 1.127 55.061 54.000 -0.111 0.000 0.847 64 D CB 0.029 40.782 40.800 -0.079 0.000 0.942 64 D HN 0.323 nan 8.370 nan 0.000 0.467 65 K N -0.626 119.750 120.400 -0.041 0.000 2.044 65 K HA -0.095 4.224 4.320 -0.003 0.000 0.204 65 K C 2.019 178.637 176.600 0.030 0.000 1.049 65 K CA 0.339 56.598 56.287 -0.047 0.000 0.945 65 K CB -0.215 32.220 32.500 -0.107 0.000 0.724 65 K HN -0.010 nan 8.250 nan 0.000 0.440 66 F N 2.464 122.398 119.950 -0.026 0.000 2.161 66 F HA -0.161 4.364 4.527 -0.003 0.000 0.300 66 F C 1.993 177.798 175.800 0.009 0.000 1.089 66 F CA 1.634 59.671 58.000 0.062 0.000 1.282 66 F CB -0.180 38.981 39.000 0.268 0.000 1.010 66 F HN -0.054 nan 8.300 nan 0.000 0.485 67 K N 0.401 120.719 120.400 -0.136 0.000 2.148 67 K HA -0.209 4.109 4.320 -0.003 0.000 0.204 67 K C 2.317 178.799 176.600 -0.197 0.000 1.050 67 K CA 1.434 57.581 56.287 -0.234 0.000 0.942 67 K CB -0.110 32.306 32.500 -0.140 0.000 0.724 67 K HN 0.449 nan 8.250 nan 0.000 0.446 68 R N 0.967 121.384 120.500 -0.139 0.000 2.090 68 R HA -0.054 4.284 4.340 -0.003 0.000 0.228 68 R C 2.204 178.431 176.300 -0.123 0.000 1.110 68 R CA 1.569 57.599 56.100 -0.115 0.000 0.973 68 R CB -0.724 29.521 30.300 -0.092 0.000 0.869 68 R HN 0.363 nan 8.270 nan 0.000 0.440 69 I N -1.882 118.609 120.570 -0.132 0.000 2.716 69 I HA 0.036 4.205 4.170 -0.003 0.000 0.259 69 I C 1.482 177.506 176.117 -0.156 0.000 1.172 69 I CA 0.334 61.568 61.300 -0.110 0.000 1.478 69 I CB -0.342 37.630 38.000 -0.047 0.000 1.104 69 I HN 0.098 nan 8.210 nan 0.000 0.439 70 C N 1.393 120.519 119.300 -0.290 0.000 2.432 70 C HA -0.058 4.400 4.460 -0.003 0.000 0.282 70 C C 2.625 177.499 174.990 -0.193 0.000 1.388 70 C CA 0.876 59.702 59.018 -0.320 0.000 1.777 70 C CB -1.233 26.178 27.740 -0.550 0.000 1.882 70 C HN 0.592 nan 8.230 nan 0.000 0.520 71 Q N 0.146 119.847 119.800 -0.164 0.000 2.444 71 Q HA -0.012 4.326 4.340 -0.003 0.000 0.206 71 Q C 0.844 176.789 176.000 -0.092 0.000 0.948 71 Q CA 0.703 56.436 55.803 -0.117 0.000 0.946 71 Q CB 0.031 28.706 28.738 -0.105 0.000 1.027 71 Q HN 0.730 nan 8.270 nan 0.000 0.513 72 E N -0.724 119.421 120.200 -0.091 0.000 2.734 72 E HA 0.142 4.490 4.350 -0.003 0.000 0.211 72 E C 0.677 177.237 176.600 -0.066 0.000 0.991 72 E CA -0.147 56.210 56.400 -0.072 0.000 1.065 72 E CB 0.589 30.250 29.700 -0.065 0.000 1.047 72 E HN 0.191 nan 8.360 nan 0.000 0.470 73 M N -0.857 118.700 119.600 -0.072 0.000 2.466 73 M HA 0.180 4.659 4.480 -0.003 0.000 0.265 73 M C 1.463 177.722 176.300 -0.069 0.000 1.122 73 M CA 1.100 56.362 55.300 -0.064 0.000 1.157 73 M CB -0.078 32.487 32.600 -0.059 0.000 1.352 73 M HN 0.345 nan 8.290 nan 0.000 0.464 74 G N 0.874 109.632 108.800 -0.070 0.000 2.134 74 G HA2 -0.137 3.822 3.960 -0.003 0.000 0.209 74 G HA3 -0.137 3.822 3.960 -0.003 0.000 0.209 74 G C -0.176 174.683 174.900 -0.068 0.000 0.993 74 G CA -0.052 45.008 45.100 -0.067 0.000 0.669 74 G HN 0.305 nan 8.290 nan 0.000 0.519 75 V N 0.851 120.722 119.914 -0.073 0.000 2.513 75 V HA 0.563 4.681 4.120 -0.003 0.000 0.299 75 V C 0.783 176.829 176.094 -0.081 0.000 1.035 75 V CA -0.663 61.592 62.300 -0.075 0.000 0.889 75 V CB 1.789 33.570 31.823 -0.070 0.000 0.988 75 V HN 0.182 nan 8.190 nan 0.000 0.440 76 Q N 2.805 122.550 119.800 -0.091 0.000 2.394 76 Q HA 0.238 4.576 4.340 -0.003 0.000 0.218 76 Q C 0.569 176.497 176.000 -0.119 0.000 0.907 76 Q CA 0.557 56.303 55.803 -0.096 0.000 0.919 76 Q CB 0.675 29.357 28.738 -0.094 0.000 1.051 76 Q HN 0.877 nan 8.270 nan 0.000 0.538 77 R N -1.067 119.344 120.500 -0.148 0.000 2.728 77 R HA 0.706 5.044 4.340 -0.003 0.000 0.274 77 R C -1.389 174.768 176.300 -0.238 0.000 1.032 77 R CA -0.789 55.185 56.100 -0.210 0.000 0.866 77 R CB 1.118 31.256 30.300 -0.270 0.000 1.263 77 R HN -0.190 nan 8.270 nan 0.000 0.475 78 R N 0.146 120.460 120.500 -0.310 0.000 2.817 78 R HA 0.475 4.814 4.340 -0.003 0.000 0.268 78 R C -1.641 174.379 176.300 -0.467 0.000 1.027 78 R CA -0.751 55.213 56.100 -0.227 0.000 0.928 78 R CB 1.084 31.355 30.300 -0.048 0.000 1.228 78 R HN 0.536 nan 8.270 nan 0.000 0.469 79 Y N 0.658 120.980 120.300 0.036 0.000 2.352 79 Y HA 0.591 5.140 4.550 -0.002 0.000 0.339 79 Y C -0.438 175.460 175.900 -0.004 0.000 0.992 79 Y CA -0.712 57.403 58.100 0.025 0.000 1.100 79 Y CB 1.440 39.958 38.460 0.097 0.000 1.192 79 Y HN 0.142 nan 8.280 nan 0.000 0.458 80 L N 3.161 124.390 121.223 0.011 0.000 2.376 80 L HA 0.330 4.669 4.340 -0.003 0.000 0.275 80 L C 0.646 177.468 176.870 -0.081 0.000 0.987 80 L CA -0.821 53.938 54.840 -0.134 0.000 0.828 80 L CB 1.683 43.474 42.059 -0.447 0.000 1.249 80 L HN 0.749 nan 8.230 nan 0.000 0.409 81 H N 2.285 121.319 119.070 -0.059 0.000 2.353 81 H HA -0.092 4.463 4.556 -0.003 0.000 0.300 81 H C 0.533 175.881 175.328 0.034 0.000 1.090 81 H CA 1.373 57.436 56.048 0.025 0.000 1.327 81 H CB 0.025 29.836 29.762 0.082 0.000 1.383 81 H HN 0.685 nan 8.280 nan 0.000 0.508 82 H N -0.553 118.544 119.070 0.045 0.000 2.764 82 H HA 0.397 4.951 4.556 -0.003 0.000 0.341 82 H C 0.338 175.676 175.328 0.017 0.000 1.072 82 H CA 0.082 56.116 56.048 -0.024 0.000 1.444 82 H CB 0.665 30.417 29.762 -0.017 0.000 1.458 82 H HN 0.315 nan 8.280 nan 0.000 0.572 83 T N -0.800 113.830 114.554 0.127 0.000 2.858 83 T HA 0.193 4.541 4.350 -0.003 0.000 0.285 83 T C 0.994 175.820 174.700 0.209 0.000 1.052 83 T CA -0.677 61.526 62.100 0.171 0.000 1.009 83 T CB 1.636 70.542 68.868 0.064 0.000 1.241 83 T HN 0.807 nan 8.240 nan 0.000 0.542 84 E N -0.038 120.304 120.200 0.236 0.000 2.110 84 E HA -0.214 4.134 4.350 -0.003 0.000 0.193 84 E C 1.794 178.431 176.600 0.063 0.000 0.988 84 E CA 1.658 58.139 56.400 0.135 0.000 0.804 84 E CB -0.022 29.770 29.700 0.153 0.000 0.745 84 E HN 0.736 nan 8.360 nan 0.000 0.458 85 E N 0.544 120.780 120.200 0.060 0.000 2.072 85 E HA -0.174 4.174 4.350 -0.003 0.000 0.190 85 E C 2.063 178.679 176.600 0.026 0.000 0.982 85 E CA 1.304 57.722 56.400 0.030 0.000 0.803 85 E CB -0.339 29.377 29.700 0.026 0.000 0.755 85 E HN 0.310 nan 8.360 nan 0.000 0.453 86 M N -0.109 119.520 119.600 0.048 0.000 2.117 86 M HA -0.120 4.358 4.480 -0.003 0.000 0.262 86 M C 1.952 178.298 176.300 0.076 0.000 1.065 86 M CA 1.413 56.763 55.300 0.083 0.000 1.114 86 M CB -0.078 32.566 32.600 0.074 0.000 1.361 86 M HN 0.251 nan 8.290 nan 0.000 0.408 87 L N -0.882 120.358 121.223 0.028 0.000 2.017 87 L HA -0.216 4.123 4.340 -0.003 0.000 0.208 87 L C 2.446 179.290 176.870 -0.044 0.000 1.073 87 L CA 1.269 56.097 54.840 -0.020 0.000 0.745 87 L CB -0.706 41.334 42.059 -0.031 0.000 0.894 87 L HN 0.262 nan 8.230 nan 0.000 0.432 88 S N -0.310 115.368 115.700 -0.036 0.000 2.419 88 S HA -0.123 4.346 4.470 -0.003 0.000 0.233 88 S C 1.893 176.426 174.600 -0.111 0.000 1.016 88 S CA 1.113 59.279 58.200 -0.057 0.000 0.974 88 S CB -0.205 62.972 63.200 -0.039 0.000 0.786 88 S HN 0.490 nan 8.310 nan 0.000 0.492 89 A N 0.197 122.933 122.820 -0.141 0.000 2.238 89 A HA 0.075 4.393 4.320 -0.003 0.000 0.208 89 A C 0.471 177.648 177.584 -0.679 0.000 1.177 89 A CA 0.401 52.251 52.037 -0.312 0.000 0.804 89 A CB -0.072 18.775 19.000 -0.254 0.000 0.823 89 A HN 0.543 nan 8.150 nan 0.000 0.482 90 H N -0.832 118.055 119.070 -0.306 0.000 2.823 90 H HA 0.127 4.681 4.556 -0.003 0.000 0.222 90 H C -2.186 172.925 175.328 -0.361 0.000 1.414 90 H CA -0.923 54.828 56.048 -0.494 0.000 1.289 90 H CB 0.459 29.531 29.762 -1.151 0.000 1.970 90 H HN 0.305 nan 8.280 nan 0.000 0.517 91 P HA -0.206 nan 4.420 nan 0.000 0.224 91 P C 1.392 178.709 177.300 0.029 0.000 1.142 91 P CA 1.089 64.169 63.100 -0.033 0.000 0.778 91 P CB 0.348 32.023 31.700 -0.043 0.000 0.764 92 E N -0.537 119.682 120.200 0.032 0.000 2.106 92 E HA -0.171 4.177 4.350 -0.003 0.000 0.192 92 E C 1.747 178.513 176.600 0.277 0.000 0.984 92 E CA 0.880 57.355 56.400 0.125 0.000 0.806 92 E CB -1.170 28.612 29.700 0.137 0.000 0.750 92 E HN 0.129 nan 8.360 nan 0.000 0.458 93 F N 2.363 122.374 119.950 0.101 0.000 2.091 93 F HA -0.167 4.358 4.527 -0.003 0.000 0.299 93 F C 2.766 178.643 175.800 0.129 0.000 1.103 93 F CA 1.500 59.575 58.000 0.123 0.000 1.228 93 F CB -1.310 37.785 39.000 0.157 0.000 0.984 93 F HN 0.074 nan 8.300 nan 0.000 0.477 94 V N -1.920 118.189 119.914 0.325 0.000 3.217 94 V HA -0.014 4.105 4.120 -0.003 0.000 0.264 94 V C 0.613 176.741 176.094 0.057 0.000 1.135 94 V CA 1.226 63.623 62.300 0.161 0.000 1.142 94 V CB -0.675 31.224 31.823 0.127 0.000 0.754 94 V HN 0.145 nan 8.190 nan 0.000 0.484 95 D N 0.763 121.209 120.400 0.076 0.000 2.563 95 D HA 0.210 4.849 4.640 -0.003 0.000 0.222 95 D C 1.495 177.812 176.300 0.029 0.000 1.145 95 D CA -0.201 53.820 54.000 0.035 0.000 1.001 95 D CB 0.376 41.198 40.800 0.036 0.000 1.049 95 D HN 0.349 nan 8.370 nan 0.000 0.515 96 R N 1.075 121.575 120.500 0.001 0.000 2.178 96 R HA -0.205 4.133 4.340 -0.003 0.000 0.257 96 R C 1.047 177.345 176.300 -0.004 0.000 1.163 96 R CA 1.433 57.526 56.100 -0.011 0.000 0.981 96 R CB -0.110 30.166 30.300 -0.040 0.000 0.878 96 R HN 0.277 nan 8.270 nan 0.000 0.454 97 D N 0.087 120.485 120.400 -0.004 0.000 2.332 97 D HA 0.124 4.762 4.640 -0.003 0.000 0.244 97 D C -0.836 175.469 176.300 0.008 0.000 1.136 97 D CA 0.170 54.168 54.000 -0.003 0.000 0.884 97 D CB 0.100 40.896 40.800 -0.007 0.000 0.906 97 D HN 0.293 nan 8.370 nan 0.000 0.520 98 A N 0.694 123.527 122.820 0.021 0.000 2.475 98 A HA 0.605 4.923 4.320 -0.003 0.000 0.301 98 A C -2.749 174.861 177.584 0.044 0.000 1.059 98 A CA -1.338 50.718 52.037 0.031 0.000 0.710 98 A CB 1.770 20.794 19.000 0.040 0.000 1.288 98 A HN -0.024 nan 8.150 nan 0.000 0.408 99 P HA 0.206 nan 4.420 nan 0.000 0.276 99 P C 0.090 177.435 177.300 0.074 0.000 1.243 99 P CA 0.115 63.238 63.100 0.040 0.000 0.768 99 P CB 1.198 32.912 31.700 0.023 0.000 0.856 100 S N 1.239 116.989 115.700 0.083 0.000 3.051 100 S HA 0.036 4.504 4.470 -0.003 0.000 0.250 100 S C 1.056 175.709 174.600 0.087 0.000 0.906 100 S CA -0.378 57.917 58.200 0.158 0.000 1.234 100 S CB -0.694 62.696 63.200 0.317 0.000 1.175 100 S HN 0.226 nan 8.310 nan 0.000 0.635 101 L N 2.712 123.936 121.223 0.002 0.000 2.046 101 L HA 0.010 4.348 4.340 -0.003 0.000 0.208 101 L C 1.523 178.356 176.870 -0.062 0.000 1.077 101 L CA 2.169 56.964 54.840 -0.075 0.000 0.747 101 L CB -0.582 41.404 42.059 -0.122 0.000 0.896 101 L HN 0.168 nan 8.230 nan 0.000 0.432 102 D N -0.054 120.337 120.400 -0.015 0.000 2.123 102 D HA -0.173 4.466 4.640 -0.003 0.000 0.196 102 D C 2.217 178.560 176.300 0.071 0.000 0.992 102 D CA 1.566 55.570 54.000 0.007 0.000 0.833 102 D CB -0.371 40.441 40.800 0.019 0.000 0.954 102 D HN 0.482 nan 8.370 nan 0.000 0.455 103 A N 0.583 123.492 122.820 0.149 0.000 2.015 103 A HA -0.150 4.168 4.320 -0.003 0.000 0.219 103 A C 2.119 179.848 177.584 0.241 0.000 1.163 103 A CA 1.115 53.292 52.037 0.233 0.000 0.646 103 A CB -0.277 18.950 19.000 0.378 0.000 0.806 103 A HN 0.121 nan 8.150 nan 0.000 0.448 104 R N -0.510 120.062 120.500 0.120 0.000 2.052 104 R HA 0.105 4.444 4.340 -0.003 0.000 0.226 104 R C 2.030 178.319 176.300 -0.018 0.000 1.145 104 R CA 1.278 57.333 56.100 -0.075 0.000 0.952 104 R CB -0.588 29.534 30.300 -0.297 0.000 0.847 104 R HN 0.433 nan 8.270 nan 0.000 0.431 105 L N 1.066 122.278 121.223 -0.019 0.000 2.079 105 L HA -0.229 4.110 4.340 -0.003 0.000 0.210 105 L C 1.707 178.637 176.870 0.100 0.000 1.081 105 L CA 1.264 56.143 54.840 0.065 0.000 0.752 105 L CB -0.547 41.534 42.059 0.036 0.000 0.896 105 L HN 0.171 nan 8.230 nan 0.000 0.433 106 D N 0.202 120.658 120.400 0.093 0.000 2.123 106 D HA -0.168 4.470 4.640 -0.003 0.000 0.196 106 D C 2.235 178.556 176.300 0.035 0.000 0.992 106 D CA 1.242 55.287 54.000 0.074 0.000 0.833 106 D CB -0.053 40.800 40.800 0.089 0.000 0.954 106 D HN 0.292 nan 8.370 nan 0.000 0.455 107 I N 0.349 120.949 120.570 0.051 0.000 2.353 107 I HA -0.167 4.001 4.170 -0.003 0.000 0.248 107 I C 2.295 178.415 176.117 0.005 0.000 1.119 107 I CA 0.731 62.069 61.300 0.063 0.000 1.417 107 I CB -0.171 37.899 38.000 0.116 0.000 1.078 107 I HN -0.041 nan 8.210 nan 0.000 0.421 108 A N 0.869 123.676 122.820 -0.021 0.000 1.969 108 A HA -0.095 4.224 4.320 -0.003 0.000 0.218 108 A C 2.563 180.075 177.584 -0.120 0.000 1.169 108 A CA 1.510 53.509 52.037 -0.064 0.000 0.635 108 A CB -0.656 18.330 19.000 -0.023 0.000 0.810 108 A HN 0.406 nan 8.150 nan 0.000 0.445 109 A N -0.060 122.635 122.820 -0.208 0.000 1.917 109 A HA -0.242 4.076 4.320 -0.003 0.000 0.219 109 A C 1.809 179.295 177.584 -0.163 0.000 1.182 109 A CA 2.148 53.972 52.037 -0.355 0.000 0.633 109 A CB -0.422 18.294 19.000 -0.474 0.000 0.819 109 A HN 0.490 nan 8.150 nan 0.000 0.448 110 D N -1.046 119.297 120.400 -0.095 0.000 2.269 110 D HA 0.198 4.837 4.640 -0.003 0.000 0.220 110 D C 2.382 178.644 176.300 -0.064 0.000 0.962 110 D CA 1.198 55.168 54.000 -0.050 0.000 0.884 110 D CB -0.562 40.233 40.800 -0.008 0.000 1.023 110 D HN 0.333 nan 8.370 nan 0.000 0.484 111 A N 1.171 123.928 122.820 -0.105 0.000 1.873 111 A HA -0.191 4.128 4.320 -0.003 0.000 0.218 111 A C 2.515 179.993 177.584 -0.178 0.000 1.193 111 A CA 1.817 53.716 52.037 -0.229 0.000 0.629 111 A CB -1.016 17.640 19.000 -0.574 0.000 0.826 111 A HN 0.128 nan 8.150 nan 0.000 0.447 112 V N 0.494 120.328 119.914 -0.134 0.000 2.252 112 V HA -0.212 3.906 4.120 -0.003 0.000 0.249 112 V C -0.033 176.034 176.094 -0.046 0.000 1.056 112 V CA 2.682 64.938 62.300 -0.073 0.000 1.022 112 V CB -1.687 30.115 31.823 -0.035 0.000 0.641 112 V HN 0.397 nan 8.190 nan 0.000 0.445 113 P HA -0.113 nan 4.420 nan 0.000 0.218 113 P C 1.637 178.922 177.300 -0.025 0.000 1.148 113 P CA 1.133 64.217 63.100 -0.026 0.000 0.822 113 P CB 0.001 31.688 31.700 -0.023 0.000 0.784 114 E N -0.699 119.483 120.200 -0.029 0.000 2.047 114 E HA -0.133 4.215 4.350 -0.003 0.000 0.191 114 E C 1.915 178.509 176.600 -0.009 0.000 0.987 114 E CA 0.929 57.320 56.400 -0.014 0.000 0.799 114 E CB -1.065 28.632 29.700 -0.006 0.000 0.752 114 E HN 0.175 nan 8.360 nan 0.000 0.449 115 L N 1.058 122.271 121.223 -0.018 0.000 2.056 115 L HA -0.038 4.301 4.340 -0.003 0.000 0.207 115 L C 2.185 179.054 176.870 -0.003 0.000 1.078 115 L CA 1.929 56.767 54.840 -0.002 0.000 0.749 115 L CB -0.766 41.292 42.059 -0.002 0.000 0.901 115 L HN 0.030 nan 8.230 nan 0.000 0.433 116 A N -0.514 122.301 122.820 -0.008 0.000 1.902 116 A HA -0.072 4.246 4.320 -0.003 0.000 0.217 116 A C 2.445 180.019 177.584 -0.016 0.000 1.181 116 A CA 1.651 53.682 52.037 -0.010 0.000 0.623 116 A CB -1.119 17.875 19.000 -0.010 0.000 0.818 116 A HN 0.543 nan 8.150 nan 0.000 0.443 117 A N -0.530 122.281 122.820 -0.015 0.000 1.972 117 A HA -0.185 4.133 4.320 -0.003 0.000 0.219 117 A C 2.015 179.592 177.584 -0.012 0.000 1.169 117 A CA 1.737 53.766 52.037 -0.015 0.000 0.635 117 A CB -0.473 18.518 19.000 -0.014 0.000 0.810 117 A HN 0.660 nan 8.150 nan 0.000 0.446 118 E N -0.338 119.855 120.200 -0.010 0.000 2.150 118 E HA -0.078 4.270 4.350 -0.003 0.000 0.193 118 E C 2.099 178.685 176.600 -0.024 0.000 0.985 118 E CA 0.828 57.221 56.400 -0.011 0.000 0.814 118 E CB -0.155 29.542 29.700 -0.005 0.000 0.752 118 E HN 0.573 nan 8.360 nan 0.000 0.466 119 A N 1.050 123.851 122.820 -0.033 0.000 1.898 119 A HA 0.053 4.372 4.320 -0.003 0.000 0.214 119 A C 2.331 179.884 177.584 -0.052 0.000 1.183 119 A CA 1.315 53.316 52.037 -0.060 0.000 0.622 119 A CB -0.522 18.436 19.000 -0.070 0.000 0.824 119 A HN 0.354 nan 8.150 nan 0.000 0.444 120 A N 0.285 123.084 122.820 -0.035 0.000 1.858 120 A HA -0.191 4.128 4.320 -0.003 0.000 0.216 120 A C 2.076 179.659 177.584 -0.003 0.000 1.190 120 A CA 1.916 53.937 52.037 -0.027 0.000 0.617 120 A CB -0.589 18.398 19.000 -0.022 0.000 0.827 120 A HN 0.502 nan 8.150 nan 0.000 0.443 121 K N -0.189 120.213 120.400 0.002 0.000 2.127 121 K HA -0.213 4.105 4.320 -0.003 0.000 0.208 121 K C 2.021 178.634 176.600 0.022 0.000 1.047 121 K CA 1.964 58.261 56.287 0.018 0.000 0.927 121 K CB -0.194 32.312 32.500 0.009 0.000 0.716 121 K HN 0.473 nan 8.250 nan 0.000 0.450 122 K N -0.158 120.242 120.400 0.001 0.000 2.155 122 K HA -0.025 4.293 4.320 -0.003 0.000 0.203 122 K C 2.120 178.727 176.600 0.010 0.000 1.052 122 K CA 0.928 57.213 56.287 -0.003 0.000 0.948 122 K CB 0.045 32.525 32.500 -0.032 0.000 0.728 122 K HN 0.122 nan 8.250 nan 0.000 0.448 123 A N 1.318 124.140 122.820 0.004 0.000 1.929 123 A HA -0.050 4.268 4.320 -0.003 0.000 0.216 123 A C 2.035 179.683 177.584 0.107 0.000 1.176 123 A CA 0.936 52.982 52.037 0.014 0.000 0.628 123 A CB -0.381 18.595 19.000 -0.040 0.000 0.816 123 A HN 0.130 nan 8.150 nan 0.000 0.444 124 I N -0.303 120.348 120.570 0.134 0.000 2.353 124 I HA -0.196 3.973 4.170 -0.003 0.000 0.248 124 I C 2.884 179.138 176.117 0.228 0.000 1.119 124 I CA 0.849 62.322 61.300 0.288 0.000 1.417 124 I CB -0.256 37.884 38.000 0.234 0.000 1.078 124 I HN 0.334 nan 8.210 nan 0.000 0.421 125 A N 0.363 123.254 122.820 0.118 0.000 1.898 125 A HA -0.245 4.074 4.320 -0.003 0.000 0.216 125 A C 2.355 179.982 177.584 0.072 0.000 1.181 125 A CA 1.751 53.828 52.037 0.067 0.000 0.620 125 A CB -0.563 18.459 19.000 0.036 0.000 0.819 125 A HN 0.461 nan 8.150 nan 0.000 0.442 126 E N -1.520 118.736 120.200 0.093 0.000 2.072 126 E HA -0.231 4.117 4.350 -0.003 0.000 0.191 126 E C 1.810 178.501 176.600 0.153 0.000 0.985 126 E CA 1.319 57.774 56.400 0.091 0.000 0.801 126 E CB -0.281 29.465 29.700 0.076 0.000 0.750 126 E HN 0.762 nan 8.360 nan 0.000 0.452 127 W N 0.617 121.909 121.300 -0.013 0.000 2.335 127 W HA -0.151 4.508 4.660 -0.002 0.000 0.311 127 W C 1.566 178.079 176.519 -0.009 0.000 1.213 127 W CA 2.935 60.275 57.345 -0.009 0.000 1.274 127 W CB -0.531 28.924 29.460 -0.007 0.000 1.148 127 W HN 0.323 nan 8.180 nan 0.000 0.498 128 G N -0.304 108.415 108.800 -0.136 0.000 2.213 128 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.226 128 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.226 128 G C 0.564 175.165 174.900 -0.498 0.000 0.992 128 G CA 0.034 44.959 45.100 -0.291 0.000 0.632 128 G HN 0.391 nan 8.290 nan 0.000 0.511 129 R N 1.274 121.186 120.500 -0.981 0.000 2.720 129 R HA 0.559 4.897 4.340 -0.003 0.000 0.272 129 R C -2.294 173.697 176.300 -0.514 0.000 0.991 129 R CA -1.744 53.788 56.100 -0.947 0.000 1.010 129 R CB 1.442 30.800 30.300 -1.569 0.000 1.141 129 R HN 0.123 nan 8.270 nan 0.000 0.494 130 P HA -0.049 nan 4.420 nan 0.000 0.269 130 P C -0.095 177.267 177.300 0.103 0.000 1.215 130 P CA 0.184 63.253 63.100 -0.052 0.000 0.780 130 P CB 0.790 32.463 31.700 -0.044 0.000 0.898 131 A N 3.156 126.053 122.820 0.128 0.000 1.978 131 A HA -0.145 4.174 4.320 -0.003 0.000 0.220 131 A C 2.224 179.893 177.584 0.142 0.000 1.170 131 A CA 2.039 54.177 52.037 0.169 0.000 0.636 131 A CB -1.544 17.511 19.000 0.090 0.000 0.810 131 A HN 0.606 nan 8.150 nan 0.000 0.448 132 A N -0.486 122.388 122.820 0.090 0.000 2.178 132 A HA -0.123 4.196 4.320 -0.003 0.000 0.218 132 A C 1.443 179.086 177.584 0.097 0.000 1.157 132 A CA 1.739 53.817 52.037 0.068 0.000 0.689 132 A CB -0.437 18.585 19.000 0.036 0.000 0.787 132 A HN 0.446 nan 8.150 nan 0.000 0.465 133 D N -0.559 119.941 120.400 0.166 0.000 2.333 133 D HA 0.133 4.771 4.640 -0.003 0.000 0.208 133 D C 0.503 176.959 176.300 0.261 0.000 0.984 133 D CA 0.081 54.212 54.000 0.217 0.000 0.873 133 D CB -0.094 40.857 40.800 0.252 0.000 0.935 133 D HN 0.461 nan 8.370 nan 0.000 0.521 134 I N 1.373 122.079 120.570 0.227 0.000 2.683 134 I HA -0.075 4.093 4.170 -0.003 0.000 0.286 134 I C 1.701 177.865 176.117 0.078 0.000 1.175 134 I CA 0.453 61.811 61.300 0.097 0.000 1.429 134 I CB 1.135 39.151 38.000 0.026 0.000 1.371 134 I HN -0.017 nan 8.210 nan 0.000 0.569 135 T N 1.010 115.626 114.554 0.102 0.000 2.990 135 T HA 0.170 4.518 4.350 -0.003 0.000 0.249 135 T C 0.308 175.020 174.700 0.020 0.000 1.039 135 T CA 0.122 62.285 62.100 0.105 0.000 1.036 135 T CB 0.061 69.056 68.868 0.211 0.000 0.994 135 T HN 0.553 nan 8.240 nan 0.000 0.489 136 H N 0.064 119.119 119.070 -0.025 0.000 2.806 136 H HA 0.725 5.279 4.556 -0.003 0.000 0.367 136 H C -1.636 173.668 175.328 -0.040 0.000 1.136 136 H CA -1.080 54.953 56.048 -0.025 0.000 1.178 136 H CB 1.945 31.693 29.762 -0.025 0.000 1.718 136 H HN 0.151 nan 8.280 nan 0.000 0.540 137 L N 3.252 124.517 121.223 0.070 0.000 2.372 137 L HA 0.588 4.926 4.340 -0.003 0.000 0.274 137 L C -1.546 175.339 176.870 0.026 0.000 0.988 137 L CA -0.625 54.229 54.840 0.023 0.000 0.833 137 L CB 1.275 43.334 42.059 -0.001 0.000 1.236 137 L HN 0.471 nan 8.230 nan 0.000 0.410 138 V N 6.154 126.075 119.914 0.012 0.000 2.350 138 V HA 0.576 4.694 4.120 -0.003 0.000 0.285 138 V C -0.239 175.850 176.094 -0.009 0.000 1.014 138 V CA -0.571 61.733 62.300 0.007 0.000 0.831 138 V CB 1.566 33.394 31.823 0.007 0.000 1.000 138 V HN 0.553 nan 8.190 nan 0.000 0.433 139 V N 3.729 123.633 119.914 -0.016 0.000 2.581 139 V HA 0.753 4.871 4.120 -0.003 0.000 0.303 139 V C 0.040 176.112 176.094 -0.038 0.000 1.041 139 V CA -0.299 61.985 62.300 -0.026 0.000 0.907 139 V CB 2.222 34.027 31.823 -0.031 0.000 0.994 139 V HN 0.875 nan 8.190 nan 0.000 0.442 140 T N 2.257 116.795 114.554 -0.025 0.000 3.032 140 T HA 0.650 4.998 4.350 -0.003 0.000 0.312 140 T C -1.029 173.668 174.700 -0.004 0.000 1.078 140 T CA -0.173 61.913 62.100 -0.025 0.000 1.028 140 T CB 1.566 70.430 68.868 -0.007 0.000 1.091 140 T HN 1.016 nan 8.240 nan 0.000 0.457 141 T N 2.959 117.519 114.554 0.009 0.000 2.886 141 T HA 0.395 4.744 4.350 -0.003 0.000 0.330 141 T C -0.087 174.662 174.700 0.081 0.000 1.488 141 T CA -0.619 61.508 62.100 0.046 0.000 1.054 141 T CB 1.310 70.214 68.868 0.061 0.000 1.348 141 T HN 0.493 nan 8.240 nan 0.000 0.489 142 N N 1.009 119.745 118.700 0.059 0.000 2.405 142 N HA 0.081 4.819 4.740 -0.003 0.000 0.175 142 N C 0.692 176.280 175.510 0.131 0.000 1.051 142 N CA 0.313 53.387 53.050 0.039 0.000 0.899 142 N CB 0.307 38.773 38.487 -0.035 0.000 1.000 142 N HN 0.486 nan 8.380 nan 0.000 0.451 143 S N 0.650 116.409 115.700 0.098 0.000 3.456 143 S HA 0.473 4.942 4.470 -0.003 0.000 0.229 143 S C 0.639 175.329 174.600 0.150 0.000 1.416 143 S CA -0.527 57.725 58.200 0.086 0.000 1.197 143 S CB -0.041 63.172 63.200 0.021 0.000 1.201 143 S HN 0.383 nan 8.310 nan 0.000 0.479 144 G N -0.237 108.728 108.800 0.274 0.000 2.547 144 G HA2 0.626 4.585 3.960 -0.003 0.000 0.291 144 G HA3 0.626 4.585 3.960 -0.003 0.000 0.291 144 G C -1.379 173.670 174.900 0.249 0.000 1.471 144 G CA -0.167 45.139 45.100 0.342 0.000 0.798 144 G HN 0.575 nan 8.290 nan 0.000 0.504 145 A N 0.914 123.784 122.820 0.084 0.000 2.883 145 A HA 0.595 4.914 4.320 -0.003 0.000 0.238 145 A C -0.873 176.304 177.584 -0.677 0.000 1.307 145 A CA -0.326 51.359 52.037 -0.585 0.000 1.267 145 A CB -0.568 18.054 19.000 -0.629 0.000 1.294 145 A HN 1.040 nan 8.150 nan 0.000 0.834 146 H N -1.402 117.573 119.070 -0.158 0.000 2.946 146 H HA 0.805 5.359 4.556 -0.003 0.000 0.365 146 H C -0.736 174.638 175.328 0.077 0.000 1.197 146 H CA -0.969 55.066 56.048 -0.021 0.000 1.131 146 H CB 2.176 31.953 29.762 0.025 0.000 1.849 146 H HN 0.282 nan 8.280 nan 0.000 0.555 147 V N 2.749 122.738 119.914 0.125 0.000 2.610 147 V HA 0.281 4.399 4.120 -0.003 0.000 0.298 147 V C -1.938 174.139 176.094 -0.029 0.000 1.067 147 V CA -1.295 61.044 62.300 0.064 0.000 0.894 147 V CB 1.403 33.245 31.823 0.031 0.000 1.015 147 V HN 0.807 nan 8.190 nan 0.000 0.432 148 P HA 0.378 nan 4.420 nan 0.000 0.270 148 P C 0.223 177.587 177.300 0.106 0.000 1.223 148 P CA 0.141 63.181 63.100 -0.100 0.000 0.785 148 P CB 1.089 32.464 31.700 -0.542 0.000 0.923 149 G N -0.508 108.397 108.800 0.175 0.000 2.702 149 G HA2 0.305 4.264 3.960 -0.003 0.000 0.254 149 G HA3 0.305 4.264 3.960 -0.003 0.000 0.254 149 G C 0.941 175.944 174.900 0.172 0.000 1.380 149 G CA -0.527 44.700 45.100 0.211 0.000 1.042 149 G HN 0.261 nan 8.290 nan 0.000 0.557 150 V N 1.649 121.628 119.914 0.108 0.000 2.469 150 V HA -0.168 3.951 4.120 -0.003 0.000 0.251 150 V C 2.730 178.856 176.094 0.054 0.000 1.064 150 V CA 2.429 64.765 62.300 0.061 0.000 1.066 150 V CB -0.694 31.145 31.823 0.027 0.000 0.667 150 V HN 0.873 nan 8.190 nan 0.000 0.461 151 D N 0.131 120.565 120.400 0.056 0.000 2.092 151 D HA -0.303 4.335 4.640 -0.003 0.000 0.193 151 D C 2.160 178.509 176.300 0.082 0.000 0.994 151 D CA 1.708 55.737 54.000 0.049 0.000 0.828 151 D CB -0.550 40.276 40.800 0.043 0.000 0.963 151 D HN 0.433 nan 8.370 nan 0.000 0.450 152 F N 2.127 122.076 119.950 -0.001 0.000 2.102 152 F HA -0.089 4.436 4.527 -0.002 0.000 0.298 152 F C 2.434 178.235 175.800 0.001 0.000 1.105 152 F CA 1.305 59.307 58.000 0.004 0.000 1.239 152 F CB -0.113 38.896 39.000 0.015 0.000 0.991 152 F HN -0.245 nan 8.300 nan 0.000 0.474 153 R N 0.582 121.123 120.500 0.068 0.000 2.249 153 R HA -0.095 4.243 4.340 -0.003 0.000 0.230 153 R C 2.149 178.380 176.300 -0.115 0.000 1.121 153 R CA 0.823 56.897 56.100 -0.043 0.000 0.997 153 R CB -0.994 29.345 30.300 0.063 0.000 0.867 153 R HN 0.428 nan 8.270 nan 0.000 0.465 154 L N -0.110 121.053 121.223 -0.099 0.000 2.446 154 L HA -0.036 4.302 4.340 -0.003 0.000 0.219 154 L C 2.075 178.874 176.870 -0.119 0.000 1.116 154 L CA 0.159 54.949 54.840 -0.085 0.000 0.844 154 L CB -0.001 42.030 42.059 -0.048 0.000 0.970 154 L HN -0.100 nan 8.230 nan 0.000 0.457 155 V N 1.200 120.997 119.914 -0.196 0.000 2.255 155 V HA -0.179 3.940 4.120 -0.003 0.000 0.247 155 V C -0.116 175.880 176.094 -0.165 0.000 1.051 155 V CA 2.159 64.345 62.300 -0.191 0.000 1.018 155 V CB -1.793 29.864 31.823 -0.276 0.000 0.641 155 V HN 0.380 nan 8.190 nan 0.000 0.445 156 P HA -0.120 nan 4.420 nan 0.000 0.217 156 P C 1.971 179.221 177.300 -0.084 0.000 1.151 156 P CA 1.461 64.480 63.100 -0.135 0.000 0.828 156 P CB -0.011 31.600 31.700 -0.149 0.000 0.788 157 L N -0.956 120.218 121.223 -0.082 0.000 2.046 157 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 157 L C 2.629 179.479 176.870 -0.034 0.000 1.077 157 L CA 1.426 56.236 54.840 -0.049 0.000 0.747 157 L CB -0.761 41.272 42.059 -0.043 0.000 0.896 157 L HN -0.075 nan 8.230 nan 0.000 0.432 158 L N -0.933 120.267 121.223 -0.038 0.000 2.585 158 L HA 0.200 4.539 4.340 -0.003 0.000 0.226 158 L C 1.243 178.107 176.870 -0.011 0.000 1.113 158 L CA 0.418 55.248 54.840 -0.017 0.000 0.876 158 L CB -0.155 41.896 42.059 -0.013 0.000 1.072 158 L HN 0.465 nan 8.230 nan 0.000 0.468 159 G N 1.295 110.078 108.800 -0.028 0.000 2.182 159 G HA2 -0.255 3.704 3.960 -0.003 0.000 0.248 159 G HA3 -0.255 3.704 3.960 -0.003 0.000 0.248 159 G C 0.146 175.038 174.900 -0.014 0.000 1.042 159 G CA -0.191 44.896 45.100 -0.021 0.000 0.775 159 G HN 0.208 nan 8.290 nan 0.000 0.501 160 L N -0.044 121.164 121.223 -0.026 0.000 2.473 160 L HA 0.404 4.742 4.340 -0.003 0.000 0.268 160 L C 1.325 178.183 176.870 -0.021 0.000 1.215 160 L CA -0.846 53.984 54.840 -0.016 0.000 0.823 160 L CB 0.267 42.307 42.059 -0.031 0.000 1.099 160 L HN 0.090 nan 8.230 nan 0.000 0.483 161 R N 1.933 122.429 120.500 -0.007 0.000 2.590 161 R HA 0.110 4.448 4.340 -0.003 0.000 0.274 161 R C -1.621 174.668 176.300 -0.018 0.000 1.061 161 R CA -1.918 54.177 56.100 -0.008 0.000 1.081 161 R CB -0.152 30.149 30.300 0.002 0.000 0.984 161 R HN 0.340 nan 8.270 nan 0.000 0.448 162 P HA -0.111 nan 4.420 nan 0.000 0.223 162 P C 0.597 177.897 177.300 -0.001 0.000 1.144 162 P CA 1.252 64.347 63.100 -0.008 0.000 0.783 162 P CB 0.268 31.970 31.700 0.003 0.000 0.771 163 S N -2.511 113.182 115.700 -0.011 0.000 2.572 163 S HA 0.122 4.590 4.470 -0.003 0.000 0.228 163 S C 0.583 175.153 174.600 -0.049 0.000 0.963 163 S CA -0.500 57.688 58.200 -0.020 0.000 0.939 163 S CB -1.002 62.188 63.200 -0.018 0.000 0.804 163 S HN -0.031 nan 8.310 nan 0.000 0.480 164 V N 2.767 122.651 119.914 -0.049 0.000 2.788 164 V HA 0.178 4.296 4.120 -0.003 0.000 0.307 164 V C 0.101 176.127 176.094 -0.113 0.000 1.069 164 V CA -0.057 62.192 62.300 -0.084 0.000 1.173 164 V CB 0.212 32.006 31.823 -0.048 0.000 0.925 164 V HN 0.525 nan 8.190 nan 0.000 0.492 165 R N 6.368 126.730 120.500 -0.229 0.000 2.196 165 R HA 0.438 4.777 4.340 -0.003 0.000 0.340 165 R C -0.253 175.998 176.300 -0.083 0.000 1.043 165 R CA -0.276 55.703 56.100 -0.203 0.000 0.883 165 R CB 0.741 30.795 30.300 -0.410 0.000 1.078 165 R HN 0.692 nan 8.270 nan 0.000 0.462 166 R N 1.192 121.680 120.500 -0.021 0.000 2.536 166 R HA 0.388 4.727 4.340 -0.003 0.000 0.279 166 R C -0.401 175.915 176.300 0.026 0.000 1.001 166 R CA -0.460 55.649 56.100 0.014 0.000 1.027 166 R CB 1.806 32.127 30.300 0.035 0.000 1.096 166 R HN 0.362 nan 8.270 nan 0.000 0.502 167 T N 2.439 117.008 114.554 0.025 0.000 3.050 167 T HA 0.212 4.560 4.350 -0.003 0.000 0.310 167 T C -1.153 173.543 174.700 -0.006 0.000 0.978 167 T CA -0.617 61.495 62.100 0.020 0.000 1.013 167 T CB 1.058 69.945 68.868 0.032 0.000 1.000 167 T HN 0.286 nan 8.240 nan 0.000 0.447 168 M N 4.800 124.385 119.600 -0.025 0.000 2.080 168 M HA 0.528 5.007 4.480 -0.003 0.000 0.350 168 M C -1.557 174.668 176.300 -0.125 0.000 1.173 168 M CA -0.860 54.378 55.300 -0.104 0.000 1.052 168 M CB 0.005 32.520 32.600 -0.142 0.000 1.577 168 M HN 0.479 nan 8.290 nan 0.000 0.455 169 L N 6.193 127.340 121.223 -0.127 0.000 2.283 169 L HA 0.373 4.712 4.340 -0.003 0.000 0.281 169 L C -0.699 176.122 176.870 -0.080 0.000 1.033 169 L CA -0.389 54.414 54.840 -0.061 0.000 0.848 169 L CB 0.291 42.346 42.059 -0.007 0.000 1.226 169 L HN 0.677 nan 8.230 nan 0.000 0.429 170 H N 4.097 123.198 119.070 0.052 0.000 2.620 170 H HA 0.309 4.864 4.556 -0.002 0.000 0.313 170 H C -0.249 175.084 175.328 0.008 0.000 1.075 170 H CA -0.588 55.499 56.048 0.064 0.000 1.397 170 H CB 1.023 30.852 29.762 0.112 0.000 1.446 170 H HN 0.419 nan 8.280 nan 0.000 0.493 171 L N 3.797 125.076 121.223 0.094 0.000 3.389 171 L HA -0.295 4.044 4.340 -0.003 0.000 0.644 171 L C -0.835 175.968 176.870 -0.112 0.000 1.039 171 L CA 0.803 55.592 54.840 -0.085 0.000 1.211 171 L CB -0.640 41.256 42.059 -0.271 0.000 1.459 171 L HN 0.931 nan 8.230 nan 0.000 0.785 172 N N 2.486 121.085 118.700 -0.169 0.000 2.365 172 N HA 0.455 5.193 4.740 -0.003 0.000 0.257 172 N C 0.930 176.008 175.510 -0.720 0.000 1.287 172 N CA -0.041 52.823 53.050 -0.311 0.000 0.882 172 N CB 0.658 39.056 38.487 -0.149 0.000 1.250 172 N HN 1.003 nan 8.380 nan 0.000 0.507 173 G N 0.831 109.361 108.800 -0.449 0.000 2.575 173 G HA2 -0.359 3.599 3.960 -0.003 0.000 0.267 173 G HA3 -0.359 3.599 3.960 -0.003 0.000 0.267 173 G C 0.815 175.489 174.900 -0.377 0.000 1.264 173 G CA 0.090 44.943 45.100 -0.411 0.000 0.935 173 G HN 0.350 nan 8.290 nan 0.000 0.568 174 C N 0.404 119.520 119.300 -0.307 0.000 2.481 174 C HA 0.215 4.674 4.460 -0.003 0.000 0.275 174 C C 2.323 177.089 174.990 -0.373 0.000 1.419 174 C CA 1.449 60.278 59.018 -0.316 0.000 1.773 174 C CB -1.889 25.718 27.740 -0.222 0.000 1.862 174 C HN 0.609 nan 8.230 nan 0.000 0.530 175 F N 0.790 120.654 119.950 -0.144 0.000 2.765 175 F HA 0.503 5.028 4.527 -0.003 0.000 0.302 175 F C 1.835 177.584 175.800 -0.085 0.000 1.111 175 F CA -0.202 57.720 58.000 -0.129 0.000 1.359 175 F CB -1.289 37.659 39.000 -0.088 0.000 1.097 175 F HN 0.016 nan 8.300 nan 0.000 0.577 176 A N 1.876 124.609 122.820 -0.146 0.000 1.903 176 A HA -0.095 4.223 4.320 -0.003 0.000 0.219 176 A C 2.565 180.182 177.584 0.055 0.000 1.191 176 A CA 2.220 54.240 52.037 -0.028 0.000 0.638 176 A CB -1.637 17.293 19.000 -0.117 0.000 0.823 176 A HN 0.526 nan 8.150 nan 0.000 0.451 177 G N -1.084 107.730 108.800 0.023 0.000 2.459 177 G HA2 -0.312 3.647 3.960 -0.003 0.000 0.217 177 G HA3 -0.312 3.647 3.960 -0.003 0.000 0.217 177 G C 1.638 176.567 174.900 0.048 0.000 1.183 177 G CA 1.368 46.488 45.100 0.034 0.000 0.776 177 G HN 0.548 nan 8.290 nan 0.000 0.552 178 C N 0.849 120.186 119.300 0.063 0.000 2.432 178 C HA 0.182 4.640 4.460 -0.003 0.000 0.277 178 C C 3.570 178.594 174.990 0.057 0.000 1.249 178 C CA 0.863 59.912 59.018 0.051 0.000 1.725 178 C CB -1.035 26.729 27.740 0.039 0.000 2.028 178 C HN 0.589 nan 8.230 nan 0.000 0.477 179 A N 0.595 123.481 122.820 0.109 0.000 1.948 179 A HA -0.064 4.255 4.320 -0.003 0.000 0.220 179 A C 2.321 179.942 177.584 0.061 0.000 1.177 179 A CA 2.358 54.451 52.037 0.093 0.000 0.636 179 A CB -0.863 18.266 19.000 0.216 0.000 0.815 179 A HN 0.613 nan 8.150 nan 0.000 0.449 180 A N -0.323 122.533 122.820 0.059 0.000 1.855 180 A HA -0.029 4.290 4.320 -0.003 0.000 0.215 180 A C 2.167 179.760 177.584 0.015 0.000 1.191 180 A CA 1.481 53.537 52.037 0.032 0.000 0.613 180 A CB -0.682 18.332 19.000 0.023 0.000 0.829 180 A HN 0.467 nan 8.150 nan 0.000 0.442 181 L N -0.854 120.377 121.223 0.013 0.000 2.079 181 L HA -0.211 4.127 4.340 -0.003 0.000 0.210 181 L C 2.770 179.643 176.870 0.004 0.000 1.081 181 L CA 1.768 56.609 54.840 0.002 0.000 0.752 181 L CB -0.446 41.615 42.059 0.004 0.000 0.896 181 L HN 0.528 nan 8.230 nan 0.000 0.433 182 R N 0.262 120.769 120.500 0.012 0.000 2.091 182 R HA -0.224 4.115 4.340 -0.003 0.000 0.238 182 R C 2.270 178.571 176.300 0.002 0.000 1.136 182 R CA 1.575 57.682 56.100 0.010 0.000 0.959 182 R CB -0.301 30.003 30.300 0.006 0.000 0.856 182 R HN 0.169 nan 8.270 nan 0.000 0.437 183 L N 0.537 121.761 121.223 0.002 0.000 2.056 183 L HA -0.020 4.319 4.340 -0.003 0.000 0.207 183 L C 2.383 179.242 176.870 -0.018 0.000 1.078 183 L CA 2.036 56.875 54.840 -0.001 0.000 0.749 183 L CB -0.609 41.456 42.059 0.010 0.000 0.901 183 L HN 0.355 nan 8.230 nan 0.000 0.433 184 A N -0.990 121.815 122.820 -0.024 0.000 2.015 184 A HA -0.246 4.073 4.320 -0.003 0.000 0.219 184 A C 2.381 179.928 177.584 -0.062 0.000 1.163 184 A CA 1.757 53.763 52.037 -0.051 0.000 0.646 184 A CB -0.528 18.443 19.000 -0.047 0.000 0.806 184 A HN 0.455 nan 8.150 nan 0.000 0.448 185 K N -0.154 120.225 120.400 -0.035 0.000 2.009 185 K HA -0.228 4.090 4.320 -0.003 0.000 0.210 185 K C 1.258 177.833 176.600 -0.042 0.000 1.049 185 K CA 1.927 58.196 56.287 -0.029 0.000 0.929 185 K CB -0.275 32.222 32.500 -0.006 0.000 0.714 185 K HN 0.320 nan 8.250 nan 0.000 0.440 186 D N 0.874 121.252 120.400 -0.037 0.000 2.144 186 D HA -0.131 4.507 4.640 -0.003 0.000 0.199 186 D C 1.997 178.254 176.300 -0.072 0.000 0.984 186 D CA 0.969 54.946 54.000 -0.039 0.000 0.834 186 D CB -0.112 40.674 40.800 -0.023 0.000 0.955 186 D HN 0.262 nan 8.370 nan 0.000 0.465 187 L N 0.370 121.525 121.223 -0.113 0.000 2.056 187 L HA -0.098 4.241 4.340 -0.003 0.000 0.207 187 L C 2.433 179.124 176.870 -0.299 0.000 1.078 187 L CA 1.209 55.908 54.840 -0.235 0.000 0.749 187 L CB -0.467 41.398 42.059 -0.323 0.000 0.901 187 L HN -0.008 nan 8.230 nan 0.000 0.433 188 A N -0.473 122.219 122.820 -0.212 0.000 2.016 188 A HA -0.139 4.180 4.320 -0.003 0.000 0.217 188 A C 2.159 179.690 177.584 -0.089 0.000 1.162 188 A CA 1.116 53.059 52.037 -0.157 0.000 0.662 188 A CB -0.236 18.697 19.000 -0.111 0.000 0.812 188 A HN 0.407 nan 8.150 nan 0.000 0.450 189 E N -0.680 119.478 120.200 -0.071 0.000 2.170 189 E HA -0.106 4.242 4.350 -0.003 0.000 0.191 189 E C 1.328 177.908 176.600 -0.033 0.000 0.981 189 E CA 0.761 57.137 56.400 -0.040 0.000 0.830 189 E CB -0.068 29.615 29.700 -0.029 0.000 0.775 189 E HN 0.584 nan 8.360 nan 0.000 0.470 190 N N -0.037 118.638 118.700 -0.043 0.000 2.461 190 N HA -0.008 4.731 4.740 -0.003 0.000 0.188 190 N C -1.126 174.377 175.510 -0.012 0.000 1.134 190 N CA 0.149 53.185 53.050 -0.023 0.000 0.878 190 N CB 0.544 39.020 38.487 -0.018 0.000 0.972 190 N HN -0.176 nan 8.380 nan 0.000 0.456 191 S N -0.190 115.498 115.700 -0.021 0.000 2.736 191 S HA 0.238 4.706 4.470 -0.003 0.000 0.285 191 S C -0.732 173.875 174.600 0.012 0.000 1.163 191 S CA -0.843 57.363 58.200 0.010 0.000 1.025 191 S CB 1.918 65.143 63.200 0.042 0.000 1.030 191 S HN 0.289 nan 8.310 nan 0.000 0.486 192 R N 1.644 122.157 120.500 0.021 0.000 2.504 192 R HA 0.321 4.659 4.340 -0.003 0.000 0.291 192 R C 1.341 177.664 176.300 0.038 0.000 0.974 192 R CA 1.794 57.908 56.100 0.024 0.000 1.077 192 R CB -0.368 29.946 30.300 0.023 0.000 0.926 192 R HN 1.073 nan 8.270 nan 0.000 0.407 193 G N 2.252 111.076 108.800 0.040 0.000 2.212 193 G HA2 -0.370 3.588 3.960 -0.003 0.000 0.266 193 G HA3 -0.370 3.588 3.960 -0.003 0.000 0.266 193 G C 0.264 175.208 174.900 0.073 0.000 0.978 193 G CA 0.174 45.312 45.100 0.062 0.000 0.632 193 G HN 1.030 nan 8.290 nan 0.000 0.537 194 A N 0.363 123.212 122.820 0.047 0.000 2.580 194 A HA 0.462 4.781 4.320 -0.003 0.000 0.244 194 A C 0.751 178.344 177.584 0.016 0.000 1.045 194 A CA 0.730 52.788 52.037 0.036 0.000 0.761 194 A CB 0.128 19.081 19.000 -0.078 0.000 0.962 194 A HN 0.402 nan 8.150 nan 0.000 0.512 195 R N 2.588 123.116 120.500 0.048 0.000 2.412 195 R HA 0.373 4.712 4.340 -0.003 0.000 0.304 195 R C -1.298 174.954 176.300 -0.081 0.000 1.066 195 R CA -0.497 55.577 56.100 -0.044 0.000 0.923 195 R CB 1.180 31.491 30.300 0.018 0.000 1.156 195 R HN 0.464 nan 8.270 nan 0.000 0.513 196 V N 4.402 124.237 119.914 -0.131 0.000 2.383 196 V HA 0.279 4.397 4.120 -0.003 0.000 0.275 196 V C 0.248 176.249 176.094 -0.155 0.000 1.036 196 V CA -0.953 61.290 62.300 -0.094 0.000 0.889 196 V CB 1.389 33.154 31.823 -0.097 0.000 0.985 196 V HN 0.457 nan 8.190 nan 0.000 0.459 197 L N 7.515 128.664 121.223 -0.123 0.000 2.268 197 L HA 0.523 4.861 4.340 -0.003 0.000 0.289 197 L C -0.208 176.615 176.870 -0.080 0.000 1.064 197 L CA 0.404 55.161 54.840 -0.138 0.000 0.824 197 L CB 1.043 43.031 42.059 -0.118 0.000 1.202 197 L HN 0.448 nan 8.230 nan 0.000 0.433 198 V N 5.838 125.703 119.914 -0.081 0.000 2.509 198 V HA 0.550 4.669 4.120 -0.003 0.000 0.284 198 V C -0.195 175.872 176.094 -0.044 0.000 1.047 198 V CA -0.492 61.779 62.300 -0.049 0.000 0.952 198 V CB 1.601 33.398 31.823 -0.042 0.000 0.988 198 V HN 0.537 nan 8.190 nan 0.000 0.469 199 V N 3.626 123.523 119.914 -0.028 0.000 2.612 199 V HA 0.783 4.901 4.120 -0.003 0.000 0.301 199 V C -0.071 176.021 176.094 -0.004 0.000 1.059 199 V CA -0.544 61.744 62.300 -0.021 0.000 0.886 199 V CB 1.713 33.523 31.823 -0.023 0.000 1.007 199 V HN 0.996 nan 8.190 nan 0.000 0.426 200 A N 3.650 126.477 122.820 0.012 0.000 2.331 200 A HA 1.014 5.333 4.320 -0.003 0.000 0.320 200 A C -0.200 177.416 177.584 0.052 0.000 1.138 200 A CA -0.164 51.891 52.037 0.030 0.000 0.790 200 A CB 1.608 20.631 19.000 0.039 0.000 1.206 200 A HN 1.572 nan 8.150 nan 0.000 0.470 201 A N 1.787 124.637 122.820 0.049 0.000 2.449 201 A HA 0.819 5.138 4.320 -0.003 0.000 0.302 201 A C -0.878 176.748 177.584 0.070 0.000 1.048 201 A CA -0.468 51.606 52.037 0.062 0.000 0.708 201 A CB 1.600 20.623 19.000 0.038 0.000 1.274 201 A HN 0.931 nan 8.150 nan 0.000 0.410 202 E N 1.291 121.545 120.200 0.090 0.000 2.275 202 E HA 0.647 4.995 4.350 -0.003 0.000 0.270 202 E C -2.016 174.656 176.600 0.120 0.000 0.882 202 E CA -0.283 56.187 56.400 0.116 0.000 0.758 202 E CB 1.364 31.166 29.700 0.170 0.000 1.195 202 E HN 0.513 nan 8.360 nan 0.000 0.419 203 L N 4.965 126.245 121.223 0.095 0.000 2.377 203 L HA 0.314 4.653 4.340 -0.003 0.000 0.270 203 L C 1.085 178.029 176.870 0.124 0.000 0.991 203 L CA -0.467 54.441 54.840 0.112 0.000 0.851 203 L CB 1.751 43.838 42.059 0.047 0.000 1.218 203 L HN 0.884 nan 8.230 nan 0.000 0.420 204 T N -0.808 113.915 114.554 0.282 0.000 3.077 204 T HA -0.136 4.213 4.350 -0.003 0.000 0.269 204 T C 1.546 176.428 174.700 0.303 0.000 1.146 204 T CA 0.818 63.161 62.100 0.405 0.000 1.091 204 T CB -0.345 68.859 68.868 0.562 0.000 0.892 204 T HN 0.540 nan 8.240 nan 0.000 0.533 205 L N -1.877 119.488 121.223 0.238 0.000 2.456 205 L HA 0.253 4.591 4.340 -0.003 0.000 0.224 205 L C 2.235 178.983 176.870 -0.203 0.000 1.148 205 L CA 1.028 55.860 54.840 -0.014 0.000 0.825 205 L CB -1.180 40.913 42.059 0.056 0.000 0.937 205 L HN 0.049 nan 8.230 nan 0.000 0.450 206 M N -0.920 118.544 119.600 -0.227 0.000 2.229 206 M HA -0.074 4.404 4.480 -0.003 0.000 0.264 206 M C 2.072 178.188 176.300 -0.307 0.000 1.063 206 M CA 1.702 56.797 55.300 -0.342 0.000 1.114 206 M CB -0.881 31.459 32.600 -0.434 0.000 1.387 206 M HN 0.391 nan 8.290 nan 0.000 0.420 207 Y N -1.515 118.751 120.300 -0.056 0.000 2.389 207 Y HA 0.128 4.677 4.550 -0.003 0.000 0.292 207 Y C 0.921 176.772 175.900 -0.081 0.000 1.117 207 Y CA -1.024 57.020 58.100 -0.094 0.000 1.195 207 Y CB -0.813 37.552 38.460 -0.158 0.000 1.076 207 Y HN -0.059 nan 8.280 nan 0.000 0.548 208 F N 2.067 122.009 119.950 -0.013 0.000 2.480 208 F HA 0.060 4.585 4.527 -0.003 0.000 0.409 208 F C 0.588 176.354 175.800 -0.056 0.000 0.979 208 F CA 1.042 58.999 58.000 -0.072 0.000 1.184 208 F CB 0.230 39.091 39.000 -0.233 0.000 0.925 208 F HN 0.005 nan 8.300 nan 0.000 0.543 209 T N 3.638 117.812 114.554 -0.632 0.000 2.733 209 T HA 0.526 4.875 4.350 -0.003 0.000 0.312 209 T C -0.211 174.245 174.700 -0.407 0.000 1.590 209 T CA -0.220 61.687 62.100 -0.323 0.000 1.005 209 T CB 0.462 69.242 68.868 -0.146 0.000 1.528 209 T HN 0.923 nan 8.240 nan 0.000 0.496 210 G N 2.267 110.927 108.800 -0.234 0.000 2.594 210 G HA2 0.547 4.505 3.960 -0.003 0.000 0.243 210 G HA3 0.547 4.505 3.960 -0.003 0.000 0.243 210 G C -2.390 172.375 174.900 -0.224 0.000 1.229 210 G CA -0.838 44.094 45.100 -0.280 0.000 0.843 210 G HN 0.635 nan 8.290 nan 0.000 0.578 211 P HA 0.187 nan 4.420 nan 0.000 0.272 211 P C -1.070 176.147 177.300 -0.138 0.000 1.230 211 P CA -0.115 62.866 63.100 -0.198 0.000 0.788 211 P CB 1.439 32.909 31.700 -0.383 0.000 0.949 212 D N -0.333 120.017 120.400 -0.082 0.000 2.696 212 D HA 0.119 4.758 4.640 -0.003 0.000 0.251 212 D C 0.723 176.941 176.300 -0.137 0.000 1.188 212 D CA -0.400 53.532 54.000 -0.112 0.000 0.876 212 D CB 1.052 41.767 40.800 -0.142 0.000 1.334 212 D HN 0.195 nan 8.370 nan 0.000 0.540 213 E N 1.565 121.708 120.200 -0.096 0.000 2.331 213 E HA -0.047 4.302 4.350 -0.003 0.000 0.199 213 E C 1.355 177.741 176.600 -0.356 0.000 1.008 213 E CA 0.829 57.191 56.400 -0.063 0.000 0.843 213 E CB 0.390 30.093 29.700 0.004 0.000 0.761 213 E HN 0.575 nan 8.360 nan 0.000 0.507 214 G N 0.037 108.561 108.800 -0.459 0.000 2.808 214 G HA2 -0.087 3.871 3.960 -0.003 0.000 0.210 214 G HA3 -0.087 3.871 3.960 -0.003 0.000 0.210 214 G C 0.233 174.653 174.900 -0.800 0.000 1.177 214 G CA -0.296 44.466 45.100 -0.563 0.000 0.853 214 G HN 0.283 nan 8.290 nan 0.000 0.625 215 C N 2.407 121.415 119.300 -0.487 0.000 2.218 215 C HA 0.493 4.952 4.460 -0.003 0.000 0.353 215 C C 1.244 176.069 174.990 -0.275 0.000 1.070 215 C CA -0.935 57.886 59.018 -0.329 0.000 1.497 215 C CB -2.230 25.406 27.740 -0.173 0.000 1.951 215 C HN 0.350 nan 8.230 nan 0.000 0.493 216 F N 2.445 122.396 119.950 0.002 0.000 2.407 216 F HA 0.033 4.558 4.527 -0.003 0.000 0.299 216 F C 2.449 178.250 175.800 0.002 0.000 1.097 216 F CA 0.651 58.662 58.000 0.018 0.000 1.422 216 F CB -0.672 38.355 39.000 0.045 0.000 1.067 216 F HN 0.593 nan 8.300 nan 0.000 0.539 217 R N 0.565 121.140 120.500 0.125 0.000 2.178 217 R HA -0.235 4.103 4.340 -0.003 0.000 0.257 217 R C 1.704 178.006 176.300 0.004 0.000 1.163 217 R CA 2.233 58.365 56.100 0.053 0.000 0.981 217 R CB -0.800 29.500 30.300 -0.001 0.000 0.878 217 R HN 0.234 nan 8.270 nan 0.000 0.454 218 T N 2.493 117.032 114.554 -0.024 0.000 2.759 218 T HA -0.109 4.240 4.350 -0.003 0.000 0.269 218 T C 1.515 176.139 174.700 -0.127 0.000 1.042 218 T CA 1.465 63.509 62.100 -0.093 0.000 1.140 218 T CB -0.125 68.683 68.868 -0.101 0.000 0.864 218 T HN 0.351 nan 8.240 nan 0.000 0.455 219 L N -0.142 121.060 121.223 -0.035 0.000 2.591 219 L HA 0.369 4.708 4.340 -0.003 0.000 0.228 219 L C 1.909 178.866 176.870 0.145 0.000 1.133 219 L CA 0.677 55.466 54.840 -0.085 0.000 0.880 219 L CB -1.581 40.474 42.059 -0.007 0.000 1.033 219 L HN 0.151 nan 8.230 nan 0.000 0.450 220 L N 0.509 121.798 121.223 0.110 0.000 2.131 220 L HA 0.001 4.339 4.340 -0.003 0.000 0.206 220 L C 2.376 179.332 176.870 0.144 0.000 1.087 220 L CA 1.342 56.265 54.840 0.138 0.000 0.767 220 L CB -0.361 41.756 42.059 0.098 0.000 0.917 220 L HN -0.007 nan 8.230 nan 0.000 0.441 221 V N -0.299 119.639 119.914 0.041 0.000 2.237 221 V HA -0.266 3.852 4.120 -0.003 0.000 0.245 221 V C 2.489 178.653 176.094 0.117 0.000 1.046 221 V CA 1.661 63.973 62.300 0.019 0.000 1.007 221 V CB -0.823 30.823 31.823 -0.294 0.000 0.638 221 V HN 0.480 nan 8.190 nan 0.000 0.445 222 Q N 0.324 120.098 119.800 -0.043 0.000 2.449 222 Q HA -0.133 4.205 4.340 -0.003 0.000 0.214 222 Q C 1.984 178.163 176.000 0.299 0.000 0.986 222 Q CA 1.569 57.328 55.803 -0.074 0.000 0.893 222 Q CB -0.582 27.668 28.738 -0.813 0.000 0.940 222 Q HN 0.735 nan 8.270 nan 0.000 0.477 223 G N -1.064 107.952 108.800 0.360 0.000 2.848 223 G HA2 0.130 4.089 3.960 -0.003 0.000 0.213 223 G HA3 0.130 4.089 3.960 -0.003 0.000 0.213 223 G C 1.076 176.059 174.900 0.139 0.000 1.101 223 G CA -0.068 45.205 45.100 0.288 0.000 0.778 223 G HN 0.273 nan 8.290 nan 0.000 0.536 224 L N -0.955 120.374 121.223 0.176 0.000 2.685 224 L HA 0.600 4.938 4.340 -0.003 0.000 0.235 224 L C -0.335 176.534 176.870 -0.001 0.000 1.070 224 L CA -0.283 54.601 54.840 0.074 0.000 0.888 224 L CB 0.201 42.290 42.059 0.050 0.000 1.203 224 L HN -0.043 nan 8.230 nan 0.000 0.499 225 F N 0.002 119.969 119.950 0.029 0.000 2.384 225 F HA 0.626 5.152 4.527 -0.003 0.000 0.338 225 F C 1.078 176.942 175.800 0.107 0.000 1.103 225 F CA -0.077 57.958 58.000 0.059 0.000 1.157 225 F CB 1.068 40.092 39.000 0.040 0.000 1.167 225 F HN -0.000 nan 8.300 nan 0.000 0.529 226 G N 1.120 110.046 108.800 0.209 0.000 2.730 226 G HA2 0.532 4.491 3.960 -0.003 0.000 0.289 226 G HA3 0.532 4.491 3.960 -0.003 0.000 0.289 226 G C -1.875 173.148 174.900 0.205 0.000 1.341 226 G CA -0.746 44.464 45.100 0.183 0.000 0.932 226 G HN 0.384 nan 8.290 nan 0.000 0.481 227 D N -1.051 119.464 120.400 0.193 0.000 2.217 227 D HA 0.747 5.385 4.640 -0.003 0.000 0.248 227 D C 0.496 176.872 176.300 0.126 0.000 1.008 227 D CA 0.490 54.596 54.000 0.177 0.000 0.914 227 D CB 1.814 42.728 40.800 0.191 0.000 1.182 227 D HN 0.848 nan 8.370 nan 0.000 0.451 228 G N -1.067 107.794 108.800 0.100 0.000 2.316 228 G HA2 0.621 4.580 3.960 -0.003 0.000 0.296 228 G HA3 0.621 4.580 3.960 -0.003 0.000 0.296 228 G C -1.985 173.007 174.900 0.153 0.000 1.399 228 G CA -0.226 44.937 45.100 0.106 0.000 0.833 228 G HN 0.609 nan 8.290 nan 0.000 0.565 229 A N -1.109 121.845 122.820 0.223 0.000 2.520 229 A HA 1.066 5.384 4.320 -0.003 0.000 0.298 229 A C -0.293 177.360 177.584 0.115 0.000 1.051 229 A CA 0.301 52.427 52.037 0.149 0.000 0.690 229 A CB 1.533 20.569 19.000 0.060 0.000 1.281 229 A HN 2.520 nan 8.150 nan 0.000 0.402 230 A N 0.606 123.459 122.820 0.056 0.000 2.414 230 A HA 0.954 5.272 4.320 -0.003 0.000 0.306 230 A C -0.240 177.297 177.584 -0.078 0.000 1.054 230 A CA 0.036 52.009 52.037 -0.107 0.000 0.724 230 A CB 1.454 20.396 19.000 -0.096 0.000 1.267 230 A HN 2.489 nan 8.150 nan 0.000 0.418 231 A N 1.010 123.760 122.820 -0.116 0.000 2.401 231 A HA 0.818 5.137 4.320 -0.003 0.000 0.310 231 A C -1.037 176.490 177.584 -0.096 0.000 1.075 231 A CA -0.551 51.434 52.037 -0.087 0.000 0.746 231 A CB 1.525 20.479 19.000 -0.076 0.000 1.277 231 A HN 1.491 nan 8.150 nan 0.000 0.425 232 V N 2.633 122.492 119.914 -0.092 0.000 2.760 232 V HA 0.421 4.539 4.120 -0.003 0.000 0.309 232 V C -0.890 175.114 176.094 -0.151 0.000 1.077 232 V CA -0.532 61.708 62.300 -0.100 0.000 0.910 232 V CB 1.885 33.666 31.823 -0.071 0.000 1.008 232 V HN 0.747 nan 8.190 nan 0.000 0.424 233 I N 4.232 124.675 120.570 -0.211 0.000 2.312 233 I HA 0.442 4.610 4.170 -0.003 0.000 0.290 233 I C -0.216 175.736 176.117 -0.275 0.000 1.008 233 I CA -0.318 60.755 61.300 -0.377 0.000 1.226 233 I CB 1.605 39.164 38.000 -0.735 0.000 1.371 233 I HN 0.297 nan 8.210 nan 0.000 0.468 234 V N 5.621 125.402 119.914 -0.222 0.000 2.483 234 V HA 0.930 5.049 4.120 -0.003 0.000 0.295 234 V C 0.406 176.419 176.094 -0.134 0.000 1.035 234 V CA -0.338 61.882 62.300 -0.132 0.000 0.896 234 V CB 1.805 33.575 31.823 -0.088 0.000 0.986 234 V HN 0.971 nan 8.190 nan 0.000 0.447 235 G N 2.497 111.252 108.800 -0.076 0.000 2.616 235 G HA2 0.711 4.669 3.960 -0.003 0.000 0.294 235 G HA3 0.711 4.669 3.960 -0.003 0.000 0.294 235 G C -1.194 173.703 174.900 -0.006 0.000 1.489 235 G CA 0.025 45.099 45.100 -0.044 0.000 0.836 235 G HN 1.016 nan 8.290 nan 0.000 0.527 236 A N 0.365 123.185 122.820 -0.001 0.000 2.269 236 A HA 0.786 5.104 4.320 -0.003 0.000 0.327 236 A C 0.048 177.646 177.584 0.023 0.000 1.112 236 A CA 0.048 52.089 52.037 0.006 0.000 0.865 236 A CB 0.477 19.474 19.000 -0.005 0.000 1.227 236 A HN 1.266 nan 8.150 nan 0.000 0.498 237 D N -0.812 119.598 120.400 0.017 0.000 2.812 237 D HA -0.139 4.499 4.640 -0.003 0.000 0.237 237 D C 0.322 176.646 176.300 0.039 0.000 1.162 237 D CA 1.244 55.257 54.000 0.021 0.000 0.740 237 D CB -1.739 39.072 40.800 0.019 0.000 1.000 237 D HN 1.097 nan 8.370 nan 0.000 0.416 238 A N 1.188 124.035 122.820 0.044 0.000 2.548 238 A HA 0.182 4.501 4.320 -0.003 0.000 0.247 238 A C 0.927 178.539 177.584 0.046 0.000 1.067 238 A CA 0.141 52.217 52.037 0.065 0.000 0.757 238 A CB 0.565 19.602 19.000 0.062 0.000 0.996 238 A HN 0.186 nan 8.150 nan 0.000 0.504 239 D N 1.747 122.178 120.400 0.052 0.000 2.206 239 D HA 0.071 4.709 4.640 -0.003 0.000 0.272 239 D C 0.587 176.891 176.300 0.006 0.000 1.196 239 D CA -0.171 53.842 54.000 0.021 0.000 1.012 239 D CB 0.130 40.936 40.800 0.010 0.000 1.139 239 D HN 0.542 nan 8.370 nan 0.000 0.522 240 D N -0.912 119.480 120.400 -0.014 0.000 2.137 240 D HA -0.050 4.588 4.640 -0.003 0.000 0.202 240 D C 1.997 178.279 176.300 -0.031 0.000 0.970 240 D CA 0.446 54.434 54.000 -0.021 0.000 0.837 240 D CB -0.117 40.668 40.800 -0.026 0.000 0.981 240 D HN -0.029 nan 8.370 nan 0.000 0.475 241 V N 0.998 120.878 119.914 -0.056 0.000 2.591 241 V HA -0.082 4.036 4.120 -0.003 0.000 0.249 241 V C 0.587 176.652 176.094 -0.049 0.000 1.053 241 V CA 0.828 63.084 62.300 -0.074 0.000 1.068 241 V CB -0.281 31.461 31.823 -0.135 0.000 0.689 241 V HN 0.171 nan 8.190 nan 0.000 0.462 242 E N 1.060 121.247 120.200 -0.023 0.000 2.392 242 E HA 0.195 4.543 4.350 -0.003 0.000 0.264 242 E C -0.118 176.521 176.600 0.065 0.000 1.024 242 E CA -0.015 56.428 56.400 0.073 0.000 0.903 242 E CB 0.408 30.204 29.700 0.160 0.000 0.963 242 E HN 0.159 nan 8.360 nan 0.000 0.432 243 R N 3.371 123.921 120.500 0.083 0.000 2.467 243 R HA 0.257 4.595 4.340 -0.003 0.000 0.299 243 R C -2.530 173.790 176.300 0.034 0.000 1.120 243 R CA -2.095 54.029 56.100 0.040 0.000 0.940 243 R CB 1.165 31.478 30.300 0.021 0.000 1.161 243 R HN 0.451 nan 8.270 nan 0.000 0.506 244 P HA 0.036 nan 4.420 nan 0.000 0.263 244 P C 0.436 177.696 177.300 -0.066 0.000 1.195 244 P CA 0.043 63.144 63.100 0.003 0.000 0.762 244 P CB 1.023 32.726 31.700 0.005 0.000 0.799 245 L N 2.505 123.680 121.223 -0.080 0.000 2.185 245 L HA 0.183 4.522 4.340 -0.003 0.000 0.198 245 L C 0.653 177.136 176.870 -0.646 0.000 1.079 245 L CA 1.098 55.756 54.840 -0.303 0.000 0.780 245 L CB -0.174 41.835 42.059 -0.083 0.000 0.955 245 L HN 0.232 nan 8.230 nan 0.000 0.462 246 F N -0.505 119.460 119.950 0.026 0.000 2.556 246 F HA 0.334 4.860 4.527 -0.002 0.000 0.314 246 F C -0.133 175.709 175.800 0.070 0.000 1.106 246 F CA -0.918 57.117 58.000 0.059 0.000 0.911 246 F CB 1.577 40.610 39.000 0.056 0.000 1.190 246 F HN -0.147 nan 8.300 nan 0.000 0.448 247 E N 3.721 124.075 120.200 0.257 0.000 2.227 247 E HA 0.378 4.726 4.350 -0.003 0.000 0.282 247 E C -0.548 176.145 176.600 0.154 0.000 1.015 247 E CA -0.435 56.059 56.400 0.157 0.000 0.823 247 E CB 2.120 31.879 29.700 0.098 0.000 1.081 247 E HN 0.507 nan 8.360 nan 0.000 0.396 248 I N 4.056 124.681 120.570 0.092 0.000 2.256 248 I HA -0.013 4.155 4.170 -0.003 0.000 0.294 248 I C 1.339 177.477 176.117 0.034 0.000 1.127 248 I CA -0.217 61.120 61.300 0.061 0.000 1.247 248 I CB 0.420 38.446 38.000 0.043 0.000 1.460 248 I HN 0.388 nan 8.210 nan 0.000 0.511 249 V N 3.284 123.212 119.914 0.023 0.000 2.270 249 V HA -0.148 3.971 4.120 -0.003 0.000 0.245 249 V C 1.048 177.152 176.094 0.017 0.000 1.043 249 V CA 1.322 63.624 62.300 0.003 0.000 1.014 249 V CB -0.277 31.535 31.823 -0.020 0.000 0.645 249 V HN 0.738 nan 8.190 nan 0.000 0.447 250 S N -1.088 114.623 115.700 0.019 0.000 2.572 250 S HA 0.737 5.206 4.470 -0.003 0.000 0.274 250 S C -0.904 173.830 174.600 0.223 0.000 1.150 250 S CA -0.071 58.205 58.200 0.127 0.000 0.944 250 S CB 1.594 64.930 63.200 0.227 0.000 1.071 250 S HN 0.581 nan 8.310 nan 0.000 0.479 251 A N 3.086 126.015 122.820 0.181 0.000 2.273 251 A HA 0.902 5.220 4.320 -0.003 0.000 0.315 251 A C 0.045 177.688 177.584 0.099 0.000 1.256 251 A CA -0.219 51.908 52.037 0.150 0.000 0.851 251 A CB 0.589 19.627 19.000 0.064 0.000 1.172 251 A HN 1.282 nan 8.150 nan 0.000 0.508 252 A N 2.020 124.873 122.820 0.055 0.000 2.437 252 A HA 0.936 5.255 4.320 -0.003 0.000 0.292 252 A C -0.542 176.937 177.584 -0.174 0.000 1.173 252 A CA -0.662 51.285 52.037 -0.149 0.000 0.785 252 A CB 1.615 20.327 19.000 -0.479 0.000 1.351 252 A HN 0.991 nan 8.150 nan 0.000 0.431 253 Q N -0.461 119.214 119.800 -0.208 0.000 2.438 253 Q HA 0.564 4.903 4.340 -0.003 0.000 0.272 253 Q C -1.378 174.502 176.000 -0.200 0.000 0.994 253 Q CA -0.299 55.374 55.803 -0.217 0.000 0.887 253 Q CB 2.145 30.753 28.738 -0.217 0.000 1.432 253 Q HN 1.005 nan 8.270 nan 0.000 0.392 254 T N 2.094 116.532 114.554 -0.194 0.000 2.681 254 T HA 0.742 5.090 4.350 -0.003 0.000 0.296 254 T C -1.522 173.111 174.700 -0.112 0.000 1.157 254 T CA -0.443 61.573 62.100 -0.140 0.000 1.025 254 T CB 1.276 70.073 68.868 -0.119 0.000 1.441 254 T HN 0.520 nan 8.240 nan 0.000 0.504 255 I N 1.664 122.193 120.570 -0.068 0.000 2.582 255 I HA 0.489 4.657 4.170 -0.003 0.000 0.292 255 I C -0.644 175.468 176.117 -0.008 0.000 1.066 255 I CA -1.011 60.267 61.300 -0.037 0.000 1.053 255 I CB 2.156 40.132 38.000 -0.040 0.000 1.241 255 I HN 0.532 nan 8.210 nan 0.000 0.421 256 I N 7.132 127.713 120.570 0.019 0.000 2.301 256 I HA 0.250 4.419 4.170 -0.003 0.000 0.292 256 I C -2.118 174.001 176.117 0.003 0.000 1.046 256 I CA -1.753 59.561 61.300 0.022 0.000 1.282 256 I CB 0.902 38.929 38.000 0.045 0.000 1.409 256 I HN 0.174 nan 8.210 nan 0.000 0.484 257 P HA -0.112 nan 4.420 nan 0.000 0.264 257 P C -0.260 177.024 177.300 -0.026 0.000 1.173 257 P CA 0.300 63.389 63.100 -0.018 0.000 0.761 257 P CB 0.187 31.878 31.700 -0.015 0.000 0.794 258 E N 0.057 120.230 120.200 -0.046 0.000 2.238 258 E HA -0.257 4.092 4.350 -0.003 0.000 0.219 258 E C 0.268 176.827 176.600 -0.068 0.000 1.275 258 E CA 0.564 56.919 56.400 -0.075 0.000 0.714 258 E CB -1.832 27.834 29.700 -0.058 0.000 1.154 258 E HN 0.273 nan 8.360 nan 0.000 0.363 259 S N -0.441 115.229 115.700 -0.049 0.000 2.603 259 S HA -0.024 4.444 4.470 -0.003 0.000 0.232 259 S C 1.278 175.881 174.600 0.006 0.000 1.016 259 S CA 0.289 58.482 58.200 -0.012 0.000 0.976 259 S CB 0.392 63.600 63.200 0.014 0.000 0.921 259 S HN 0.504 nan 8.310 nan 0.000 0.516 260 D N 0.774 121.153 120.400 -0.036 0.000 2.218 260 D HA -0.179 4.460 4.640 -0.003 0.000 0.204 260 D C 1.182 177.550 176.300 0.113 0.000 0.976 260 D CA 1.309 55.319 54.000 0.017 0.000 0.853 260 D CB -0.731 40.060 40.800 -0.014 0.000 0.939 260 D HN 0.617 nan 8.370 nan 0.000 0.481 261 H N -0.014 119.068 119.070 0.021 0.000 2.495 261 H HA 0.216 4.770 4.556 -0.003 0.000 0.287 261 H C 1.839 177.177 175.328 0.016 0.000 1.033 261 H CA 0.624 56.682 56.048 0.016 0.000 1.307 261 H CB 0.329 30.098 29.762 0.011 0.000 1.401 261 H HN 0.291 nan 8.280 nan 0.000 0.555 262 A N 0.558 123.461 122.820 0.140 0.000 2.238 262 A HA 0.208 4.526 4.320 -0.003 0.000 0.208 262 A C 0.499 178.126 177.584 0.071 0.000 1.177 262 A CA 0.420 52.508 52.037 0.084 0.000 0.804 262 A CB 0.374 19.410 19.000 0.060 0.000 0.823 262 A HN 0.232 nan 8.150 nan 0.000 0.482 263 L N 0.042 121.314 121.223 0.082 0.000 2.676 263 L HA 0.318 4.657 4.340 -0.003 0.000 0.262 263 L C -2.085 174.826 176.870 0.068 0.000 0.932 263 L CA -0.613 54.270 54.840 0.072 0.000 0.932 263 L CB 2.263 44.377 42.059 0.091 0.000 1.355 263 L HN 0.426 nan 8.230 nan 0.000 0.421 264 N N 3.895 122.620 118.700 0.042 0.000 2.598 264 N HA 0.744 5.483 4.740 -0.003 0.000 0.263 264 N C -1.421 174.087 175.510 -0.003 0.000 1.254 264 N CA -0.827 52.239 53.050 0.027 0.000 0.863 264 N CB 2.026 40.532 38.487 0.032 0.000 1.586 264 N HN 0.365 nan 8.380 nan 0.000 0.491 265 M N 0.802 120.386 119.600 -0.026 0.000 2.572 265 M HA 0.594 5.072 4.480 -0.003 0.000 0.299 265 M C -1.173 175.075 176.300 -0.087 0.000 1.205 265 M CA -0.531 54.735 55.300 -0.057 0.000 0.876 265 M CB 2.812 35.362 32.600 -0.083 0.000 1.728 265 M HN 0.428 nan 8.290 nan 0.000 0.458 266 R N 0.782 121.224 120.500 -0.096 0.000 2.561 266 R HA 0.478 4.817 4.340 -0.003 0.000 0.266 266 R C -1.822 174.456 176.300 -0.038 0.000 1.091 266 R CA -0.678 55.370 56.100 -0.087 0.000 0.927 266 R CB 2.056 32.346 30.300 -0.017 0.000 1.240 266 R HN 0.400 nan 8.270 nan 0.000 0.449 267 F N 1.446 121.379 119.950 -0.029 0.000 2.399 267 F HA 0.386 4.912 4.527 -0.003 0.000 0.342 267 F C 1.147 176.923 175.800 -0.040 0.000 1.106 267 F CA 0.047 58.019 58.000 -0.047 0.000 1.196 267 F CB 1.523 40.485 39.000 -0.063 0.000 1.163 267 F HN 0.494 nan 8.300 nan 0.000 0.547 268 T N -1.124 113.531 114.554 0.169 0.000 2.841 268 T HA 0.316 4.665 4.350 -0.003 0.000 0.296 268 T C 0.586 175.304 174.700 0.029 0.000 1.166 268 T CA -0.821 61.322 62.100 0.072 0.000 1.007 268 T CB 1.538 70.432 68.868 0.043 0.000 1.253 268 T HN 0.592 nan 8.240 nan 0.000 0.511 269 E N 0.744 120.950 120.200 0.010 0.000 2.171 269 E HA -0.210 4.139 4.350 -0.003 0.000 0.197 269 E C 1.769 178.369 176.600 0.001 0.000 0.997 269 E CA 1.033 57.431 56.400 -0.004 0.000 0.810 269 E CB -0.188 29.511 29.700 -0.001 0.000 0.738 269 E HN 0.599 nan 8.360 nan 0.000 0.467 270 R N 0.656 121.161 120.500 0.007 0.000 2.223 270 R HA 0.139 4.478 4.340 -0.003 0.000 0.198 270 R C 1.023 177.319 176.300 -0.006 0.000 0.984 270 R CA 0.579 56.685 56.100 0.009 0.000 1.018 270 R CB 0.133 30.436 30.300 0.006 0.000 0.945 270 R HN 0.196 nan 8.270 nan 0.000 0.479 271 R N -1.705 118.793 120.500 -0.004 0.000 3.324 271 R HA 0.054 4.392 4.340 -0.003 0.000 0.270 271 R C -1.906 174.426 176.300 0.054 0.000 0.893 271 R CA -0.976 55.114 56.100 -0.017 0.000 0.794 271 R CB -0.163 30.118 30.300 -0.031 0.000 1.510 271 R HN -0.066 nan 8.270 nan 0.000 0.493 272 L N 1.730 122.988 121.223 0.058 0.000 2.290 272 L HA 0.549 4.888 4.340 -0.003 0.000 0.284 272 L C -0.859 176.081 176.870 0.116 0.000 1.078 272 L CA 0.645 55.549 54.840 0.106 0.000 0.815 272 L CB 0.988 43.034 42.059 -0.021 0.000 1.162 272 L HN 0.652 nan 8.230 nan 0.000 0.435 273 D N 2.308 122.749 120.400 0.069 0.000 2.636 273 D HA 0.876 5.515 4.640 -0.003 0.000 0.275 273 D C -0.411 175.889 176.300 0.000 0.000 1.130 273 D CA 0.441 54.460 54.000 0.032 0.000 1.031 273 D CB 2.360 43.165 40.800 0.010 0.000 1.451 273 D HN 0.778 nan 8.370 nan 0.000 0.505 274 G N -1.053 107.732 108.800 -0.025 0.000 2.356 274 G HA2 0.418 4.376 3.960 -0.003 0.000 0.281 274 G HA3 0.418 4.376 3.960 -0.003 0.000 0.281 274 G C -1.855 173.025 174.900 -0.032 0.000 1.246 274 G CA -0.189 44.894 45.100 -0.028 0.000 0.889 274 G HN 0.459 nan 8.290 nan 0.000 0.486 275 V N 0.356 120.258 119.914 -0.020 0.000 2.735 275 V HA 0.663 4.782 4.120 -0.003 0.000 0.310 275 V C -0.403 175.691 176.094 0.000 0.000 1.061 275 V CA -0.518 61.775 62.300 -0.012 0.000 0.913 275 V CB 1.817 33.640 31.823 -0.000 0.000 1.005 275 V HN 0.631 nan 8.190 nan 0.000 0.428 276 L N 3.853 125.078 121.223 0.003 0.000 2.495 276 L HA 0.512 4.850 4.340 -0.003 0.000 0.248 276 L C 0.898 177.785 176.870 0.028 0.000 1.229 276 L CA -0.303 54.550 54.840 0.022 0.000 0.942 276 L CB 1.026 43.097 42.059 0.021 0.000 1.242 276 L HN 0.863 nan 8.230 nan 0.000 0.484 277 G N 0.870 109.688 108.800 0.029 0.000 2.380 277 G HA2 0.055 4.013 3.960 -0.003 0.000 0.242 277 G HA3 0.055 4.013 3.960 -0.003 0.000 0.242 277 G C 0.962 175.876 174.900 0.023 0.000 1.298 277 G CA -0.451 44.666 45.100 0.027 0.000 0.878 277 G HN 0.806 nan 8.290 nan 0.000 0.542 278 R N 1.005 121.518 120.500 0.021 0.000 2.328 278 R HA -0.014 4.324 4.340 -0.003 0.000 0.200 278 R C 1.334 177.635 176.300 0.001 0.000 0.983 278 R CA 0.797 56.905 56.100 0.013 0.000 1.062 278 R CB 0.125 30.435 30.300 0.017 0.000 0.956 278 R HN 0.663 nan 8.270 nan 0.000 0.479 279 Q N 0.304 120.106 119.800 0.003 0.000 2.282 279 Q HA 0.077 4.416 4.340 -0.003 0.000 0.206 279 Q C 1.164 177.153 176.000 -0.018 0.000 0.878 279 Q CA 0.082 55.881 55.803 -0.006 0.000 0.944 279 Q CB 0.407 29.147 28.738 0.003 0.000 1.100 279 Q HN 0.213 nan 8.270 nan 0.000 0.509 280 V N 2.187 122.092 119.914 -0.015 0.000 2.295 280 V HA -0.150 3.969 4.120 -0.003 0.000 0.246 280 V C -0.577 175.469 176.094 -0.081 0.000 1.049 280 V CA 1.934 64.216 62.300 -0.031 0.000 1.024 280 V CB -1.302 30.517 31.823 -0.006 0.000 0.648 280 V HN 0.285 nan 8.190 nan 0.000 0.447 281 P HA -0.106 nan 4.420 nan 0.000 0.216 281 P C 1.697 178.922 177.300 -0.125 0.000 1.150 281 P CA 1.766 64.794 63.100 -0.119 0.000 0.837 281 P CB -0.288 31.359 31.700 -0.088 0.000 0.786 282 G N -0.273 108.475 108.800 -0.086 0.000 2.418 282 G HA2 -0.215 3.744 3.960 -0.003 0.000 0.217 282 G HA3 -0.215 3.744 3.960 -0.003 0.000 0.217 282 G C 1.511 176.360 174.900 -0.086 0.000 1.158 282 G CA 0.432 45.487 45.100 -0.075 0.000 0.771 282 G HN 0.216 nan 8.290 nan 0.000 0.545 283 L N 0.059 121.231 121.223 -0.084 0.000 2.046 283 L HA -0.004 4.334 4.340 -0.003 0.000 0.208 283 L C 2.846 179.631 176.870 -0.141 0.000 1.077 283 L CA 0.719 55.510 54.840 -0.082 0.000 0.747 283 L CB -0.271 41.756 42.059 -0.054 0.000 0.896 283 L HN 0.215 nan 8.230 nan 0.000 0.432 284 I N -0.543 119.883 120.570 -0.240 0.000 2.315 284 I HA -0.184 3.985 4.170 -0.003 0.000 0.248 284 I C 2.486 178.419 176.117 -0.307 0.000 1.117 284 I CA 1.316 62.352 61.300 -0.441 0.000 1.404 284 I CB -0.619 36.968 38.000 -0.687 0.000 1.071 284 I HN 0.266 nan 8.210 nan 0.000 0.419 285 G N -0.055 108.619 108.800 -0.210 0.000 2.430 285 G HA2 -0.155 3.804 3.960 -0.003 0.000 0.216 285 G HA3 -0.155 3.804 3.960 -0.003 0.000 0.216 285 G C 1.191 176.025 174.900 -0.108 0.000 1.146 285 G CA 0.425 45.430 45.100 -0.157 0.000 0.793 285 G HN 0.294 nan 8.290 nan 0.000 0.537 286 D N 0.160 120.508 120.400 -0.087 0.000 2.355 286 D HA 0.024 4.662 4.640 -0.003 0.000 0.218 286 D C 1.377 177.656 176.300 -0.035 0.000 1.004 286 D CA 0.386 54.355 54.000 -0.051 0.000 0.880 286 D CB 0.210 40.986 40.800 -0.039 0.000 0.911 286 D HN 0.363 nan 8.370 nan 0.000 0.528 287 N N -0.249 118.425 118.700 -0.043 0.000 2.266 287 N HA -0.036 4.703 4.740 -0.003 0.000 0.217 287 N C 1.828 177.349 175.510 0.017 0.000 1.211 287 N CA 0.033 53.080 53.050 -0.005 0.000 0.881 287 N CB 1.305 39.798 38.487 0.009 0.000 1.153 287 N HN -0.093 nan 8.380 nan 0.000 0.489 288 V N 2.657 122.566 119.914 -0.009 0.000 2.233 288 V HA -0.334 3.785 4.120 -0.003 0.000 0.252 288 V C 2.312 178.396 176.094 -0.017 0.000 1.063 288 V CA 2.468 64.797 62.300 0.048 0.000 1.032 288 V CB -0.320 31.482 31.823 -0.035 0.000 0.645 288 V HN 0.327 nan 8.190 nan 0.000 0.446 289 E N -0.402 119.742 120.200 -0.094 0.000 2.058 289 E HA -0.296 4.052 4.350 -0.003 0.000 0.194 289 E C 2.497 179.150 176.600 0.087 0.000 0.997 289 E CA 1.626 57.976 56.400 -0.083 0.000 0.801 289 E CB -0.412 29.291 29.700 0.005 0.000 0.746 289 E HN 0.577 nan 8.360 nan 0.000 0.450 290 R N 0.781 121.327 120.500 0.076 0.000 2.081 290 R HA -0.147 4.192 4.340 -0.003 0.000 0.235 290 R C 2.199 178.541 176.300 0.070 0.000 1.131 290 R CA 1.827 57.979 56.100 0.086 0.000 0.960 290 R CB -1.118 29.215 30.300 0.055 0.000 0.856 290 R HN 0.366 nan 8.270 nan 0.000 0.436 291 C N 1.064 120.395 119.300 0.052 0.000 2.413 291 C HA -0.079 4.379 4.460 -0.003 0.000 0.277 291 C C 2.947 177.943 174.990 0.009 0.000 1.228 291 C CA 0.717 59.750 59.018 0.025 0.000 1.731 291 C CB -1.130 26.642 27.740 0.054 0.000 2.042 291 C HN 0.492 nan 8.230 nan 0.000 0.468 292 L N 0.179 121.441 121.223 0.066 0.000 2.079 292 L HA -0.191 4.148 4.340 -0.003 0.000 0.210 292 L C 2.482 179.491 176.870 0.232 0.000 1.081 292 L CA 1.412 56.346 54.840 0.157 0.000 0.752 292 L CB -0.542 41.620 42.059 0.172 0.000 0.896 292 L HN 0.448 nan 8.230 nan 0.000 0.433 293 L N -0.821 120.543 121.223 0.234 0.000 2.072 293 L HA -0.178 4.160 4.340 -0.003 0.000 0.205 293 L C 2.125 179.051 176.870 0.094 0.000 1.079 293 L CA 0.977 55.950 54.840 0.222 0.000 0.752 293 L CB -0.592 41.596 42.059 0.216 0.000 0.906 293 L HN 0.248 nan 8.230 nan 0.000 0.436 294 D N -0.239 120.180 120.400 0.032 0.000 2.264 294 D HA -0.136 4.503 4.640 -0.003 0.000 0.208 294 D C 2.228 178.467 176.300 -0.102 0.000 0.966 294 D CA 1.217 55.203 54.000 -0.022 0.000 0.864 294 D CB 0.049 40.831 40.800 -0.028 0.000 0.933 294 D HN 0.400 nan 8.370 nan 0.000 0.499 295 M N -0.956 118.519 119.600 -0.209 0.000 2.216 295 M HA 0.011 4.490 4.480 -0.003 0.000 0.264 295 M C 1.248 177.225 176.300 -0.538 0.000 1.080 295 M CA 1.102 56.101 55.300 -0.502 0.000 1.153 295 M CB 0.059 32.120 32.600 -0.898 0.000 1.356 295 M HN -0.073 nan 8.290 nan 0.000 0.432 296 F N -0.613 119.366 119.950 0.049 0.000 2.712 296 F HA 0.394 4.919 4.527 -0.002 0.000 0.297 296 F C 2.048 177.875 175.800 0.045 0.000 1.114 296 F CA 0.146 58.172 58.000 0.043 0.000 1.305 296 F CB -1.236 37.795 39.000 0.052 0.000 1.086 296 F HN 0.236 nan 8.300 nan 0.000 0.599 297 G N 1.533 110.449 108.800 0.194 0.000 3.130 297 G HA2 -0.378 3.580 3.960 -0.003 0.000 0.309 297 G HA3 -0.378 3.580 3.960 -0.003 0.000 0.309 297 G C -1.001 173.963 174.900 0.107 0.000 1.284 297 G CA 0.759 45.937 45.100 0.130 0.000 1.295 297 G HN 0.254 nan 8.290 nan 0.000 1.019 308 W N 0.176 121.575 121.300 0.165 0.000 2.424 308 W HA -0.051 4.608 4.660 -0.003 0.000 0.264 308 W C 1.905 178.651 176.519 0.378 0.000 1.229 308 W CA 0.335 57.867 57.345 0.311 0.000 1.208 308 W CB 0.256 29.872 29.460 0.259 0.000 1.127 308 W HN 0.397 nan 8.180 nan 0.000 0.588 309 N N 0.218 119.163 118.700 0.407 0.000 2.449 309 N HA -0.070 4.669 4.740 -0.003 0.000 0.191 309 N C 0.299 175.963 175.510 0.256 0.000 1.161 309 N CA 0.853 54.106 53.050 0.337 0.000 0.863 309 N CB -0.149 38.466 38.487 0.215 0.000 0.980 309 N HN 0.239 nan 8.380 nan 0.000 0.458 310 D N 0.172 120.691 120.400 0.199 0.000 2.349 310 D HA 0.177 4.815 4.640 -0.003 0.000 0.214 310 D C 0.384 176.707 176.300 0.038 0.000 1.063 310 D CA 0.194 54.254 54.000 0.100 0.000 0.847 310 D CB 1.050 41.869 40.800 0.032 0.000 0.933 310 D HN 0.208 nan 8.370 nan 0.000 0.513 311 L N 0.229 121.466 121.223 0.022 0.000 2.323 311 L HA 0.459 4.797 4.340 -0.003 0.000 0.265 311 L C -0.176 176.478 176.870 -0.359 0.000 1.012 311 L CA -1.430 53.205 54.840 -0.340 0.000 0.820 311 L CB 1.396 43.054 42.059 -0.667 0.000 1.334 311 L HN -0.197 nan 8.230 nan 0.000 0.427 312 F N -1.321 118.413 119.950 -0.359 0.000 2.380 312 F HA 0.698 5.223 4.527 -0.003 0.000 0.321 312 F C -1.137 174.365 175.800 -0.497 0.000 1.103 312 F CA -1.191 56.688 58.000 -0.202 0.000 1.067 312 F CB 0.497 39.482 39.000 -0.025 0.000 1.265 312 F HN 0.199 nan 8.300 nan 0.000 0.517 313 W N 0.913 122.388 121.300 0.291 0.000 2.781 313 W HA 0.706 5.365 4.660 -0.002 0.000 0.333 313 W C -1.101 175.506 176.519 0.147 0.000 1.047 313 W CA -1.257 56.183 57.345 0.158 0.000 1.236 313 W CB 2.081 31.594 29.460 0.088 0.000 1.394 313 W HN 0.800 nan 8.180 nan 0.000 0.466 314 A N 3.224 126.230 122.820 0.310 0.000 2.431 314 A HA 0.781 5.100 4.320 -0.003 0.000 0.318 314 A C -1.301 176.408 177.584 0.208 0.000 1.330 314 A CA -0.578 51.574 52.037 0.193 0.000 0.804 314 A CB 0.407 19.450 19.000 0.072 0.000 1.135 314 A HN 0.416 nan 8.150 nan 0.000 0.483 315 V N 2.208 122.251 119.914 0.216 0.000 2.628 315 V HA 0.274 4.393 4.120 -0.003 0.000 0.306 315 V C -0.003 176.203 176.094 0.187 0.000 1.045 315 V CA -0.735 61.693 62.300 0.213 0.000 0.905 315 V CB 1.692 33.640 31.823 0.209 0.000 0.997 315 V HN 0.954 nan 8.190 nan 0.000 0.436 316 H N 6.854 126.003 119.070 0.131 0.000 2.955 316 H HA 0.257 4.811 4.556 -0.003 0.000 0.290 316 H C -2.264 173.133 175.328 0.114 0.000 1.047 316 H CA -1.456 54.658 56.048 0.112 0.000 1.484 316 H CB 1.128 30.961 29.762 0.118 0.000 1.501 316 H HN 0.386 nan 8.280 nan 0.000 0.521 317 P HA 0.137 nan 4.420 nan 0.000 0.262 317 P C 0.907 177.867 177.300 -0.567 0.000 1.620 317 P CA -0.160 62.727 63.100 -0.356 0.000 1.089 317 P CB 0.896 32.479 31.700 -0.195 0.000 1.601 318 G N 3.626 112.148 108.800 -0.464 0.000 2.529 318 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.219 318 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.219 318 G C 0.508 175.270 174.900 -0.230 0.000 1.177 318 G CA 1.001 45.941 45.100 -0.267 0.000 0.773 318 G HN 0.671 nan 8.290 nan 0.000 0.573 319 S N -3.369 112.225 115.700 -0.176 0.000 2.636 319 S HA 0.513 4.981 4.470 -0.003 0.000 0.268 319 S C 0.567 175.097 174.600 -0.117 0.000 1.159 319 S CA 0.473 58.590 58.200 -0.138 0.000 0.815 319 S CB 1.138 64.284 63.200 -0.090 0.000 1.130 319 S HN -0.000 nan 8.310 nan 0.000 0.471 320 S N 0.182 115.824 115.700 -0.096 0.000 2.368 320 S HA -0.096 4.372 4.470 -0.003 0.000 0.225 320 S C 1.946 176.499 174.600 -0.079 0.000 1.030 320 S CA 2.211 60.362 58.200 -0.082 0.000 0.999 320 S CB -0.806 62.352 63.200 -0.070 0.000 0.844 320 S HN 0.888 nan 8.310 nan 0.000 0.459 321 T N 1.178 115.688 114.554 -0.074 0.000 2.881 321 T HA 0.014 4.363 4.350 -0.003 0.000 0.270 321 T C 1.599 176.246 174.700 -0.087 0.000 1.068 321 T CA 1.143 63.200 62.100 -0.072 0.000 1.131 321 T CB -0.371 68.461 68.868 -0.060 0.000 0.871 321 T HN 0.416 nan 8.240 nan 0.000 0.479 322 I N 0.466 120.977 120.570 -0.099 0.000 2.439 322 I HA -0.094 4.075 4.170 -0.003 0.000 0.251 322 I C 2.498 178.538 176.117 -0.128 0.000 1.139 322 I CA 0.757 61.982 61.300 -0.125 0.000 1.438 322 I CB -0.301 37.622 38.000 -0.130 0.000 1.085 322 I HN 0.286 nan 8.210 nan 0.000 0.427 323 M N 0.122 119.657 119.600 -0.108 0.000 2.117 323 M HA -0.187 4.292 4.480 -0.003 0.000 0.262 323 M C 1.809 178.044 176.300 -0.108 0.000 1.065 323 M CA 1.660 56.900 55.300 -0.100 0.000 1.114 323 M CB -1.101 31.451 32.600 -0.080 0.000 1.361 323 M HN 0.228 nan 8.290 nan 0.000 0.408 324 D N 0.050 120.393 120.400 -0.095 0.000 2.149 324 D HA -0.169 4.469 4.640 -0.003 0.000 0.198 324 D C 2.119 178.356 176.300 -0.104 0.000 0.990 324 D CA 1.029 54.976 54.000 -0.088 0.000 0.839 324 D CB -0.160 40.597 40.800 -0.073 0.000 0.948 324 D HN 0.381 nan 8.370 nan 0.000 0.460 325 Q N 0.509 120.239 119.800 -0.117 0.000 2.084 325 Q HA -0.086 4.253 4.340 -0.003 0.000 0.202 325 Q C 2.598 178.501 176.000 -0.161 0.000 0.978 325 Q CA 0.611 56.334 55.803 -0.133 0.000 0.844 325 Q CB -0.427 28.220 28.738 -0.153 0.000 0.898 325 Q HN 0.245 nan 8.270 nan 0.000 0.426 326 V N 1.710 121.515 119.914 -0.183 0.000 2.427 326 V HA -0.220 3.898 4.120 -0.003 0.000 0.248 326 V C 1.809 177.748 176.094 -0.258 0.000 1.051 326 V CA 1.786 63.947 62.300 -0.230 0.000 1.048 326 V CB -0.530 31.161 31.823 -0.221 0.000 0.666 326 V HN 0.224 nan 8.190 nan 0.000 0.456 327 D N 0.746 121.024 120.400 -0.203 0.000 2.087 327 D HA -0.157 4.482 4.640 -0.003 0.000 0.192 327 D C 2.286 178.504 176.300 -0.136 0.000 0.993 327 D CA 1.911 55.805 54.000 -0.177 0.000 0.828 327 D CB -0.452 40.277 40.800 -0.119 0.000 0.968 327 D HN 0.411 nan 8.370 nan 0.000 0.448 328 A N 1.270 124.026 122.820 -0.107 0.000 1.865 328 A HA -0.131 4.187 4.320 -0.003 0.000 0.217 328 A C 2.356 179.894 177.584 -0.077 0.000 1.191 328 A CA 2.830 54.822 52.037 -0.074 0.000 0.623 328 A CB -0.988 17.973 19.000 -0.065 0.000 0.826 328 A HN 0.256 nan 8.150 nan 0.000 0.444 329 A N -0.889 121.863 122.820 -0.112 0.000 1.986 329 A HA -0.024 4.294 4.320 -0.003 0.000 0.220 329 A C 1.868 179.373 177.584 -0.132 0.000 1.171 329 A CA 1.667 53.634 52.037 -0.116 0.000 0.640 329 A CB -0.431 18.476 19.000 -0.155 0.000 0.811 329 A HN 0.504 nan 8.150 nan 0.000 0.451 330 L N -1.550 119.553 121.223 -0.200 0.000 2.808 330 L HA 0.279 4.618 4.340 -0.003 0.000 0.246 330 L C 1.254 178.134 176.870 0.017 0.000 1.153 330 L CA 0.176 54.886 54.840 -0.217 0.000 0.956 330 L CB -0.022 41.678 42.059 -0.599 0.000 1.270 330 L HN 0.487 nan 8.230 nan 0.000 0.528 331 G N 1.993 110.793 108.800 -0.001 0.000 2.386 331 G HA2 -0.270 3.688 3.960 -0.003 0.000 0.295 331 G HA3 -0.270 3.688 3.960 -0.003 0.000 0.295 331 G C 0.065 174.995 174.900 0.050 0.000 0.979 331 G CA 0.239 45.363 45.100 0.041 0.000 1.193 331 G HN 0.252 nan 8.290 nan 0.000 0.508 332 L N -0.891 120.317 121.223 -0.024 0.000 2.454 332 L HA 0.500 4.838 4.340 -0.003 0.000 0.256 332 L C 1.076 177.956 176.870 0.016 0.000 1.136 332 L CA -0.930 53.902 54.840 -0.013 0.000 0.804 332 L CB 0.557 42.519 42.059 -0.162 0.000 1.181 332 L HN 0.327 nan 8.230 nan 0.000 0.469 333 E N 0.701 120.934 120.200 0.054 0.000 2.349 333 E HA 0.131 4.480 4.350 -0.003 0.000 0.262 333 E C -1.804 174.815 176.600 0.032 0.000 1.088 333 E CA -1.567 54.866 56.400 0.054 0.000 0.899 333 E CB 0.538 30.289 29.700 0.085 0.000 1.044 333 E HN 0.348 nan 8.360 nan 0.000 0.420 334 P HA -0.087 nan 4.420 nan 0.000 0.225 334 P C 0.799 178.115 177.300 0.027 0.000 1.148 334 P CA 0.889 63.997 63.100 0.014 0.000 0.779 334 P CB 0.200 31.906 31.700 0.011 0.000 0.780 335 G N -1.209 107.621 108.800 0.050 0.000 3.088 335 G HA2 -0.054 3.905 3.960 -0.003 0.000 0.217 335 G HA3 -0.054 3.905 3.960 -0.003 0.000 0.217 335 G C 1.401 176.367 174.900 0.111 0.000 1.159 335 G CA -0.053 45.088 45.100 0.068 0.000 0.760 335 G HN 0.088 nan 8.290 nan 0.000 0.550 336 K N 0.461 120.932 120.400 0.117 0.000 2.062 336 K HA 0.168 4.486 4.320 -0.003 0.000 0.205 336 K C 1.704 178.407 176.600 0.172 0.000 1.051 336 K CA 0.591 56.995 56.287 0.196 0.000 0.941 336 K CB -0.175 32.392 32.500 0.112 0.000 0.719 336 K HN 0.338 nan 8.250 nan 0.000 0.440 337 L N 0.251 121.511 121.223 0.062 0.000 2.818 337 L HA 0.245 4.583 4.340 -0.003 0.000 0.243 337 L C 1.761 178.666 176.870 0.057 0.000 1.185 337 L CA -0.172 54.700 54.840 0.054 0.000 0.988 337 L CB 0.045 42.088 42.059 -0.026 0.000 1.292 337 L HN -0.057 nan 8.230 nan 0.000 0.519 338 A N 0.972 123.833 122.820 0.067 0.000 1.883 338 A HA -0.195 4.124 4.320 -0.003 0.000 0.217 338 A C 2.571 180.194 177.584 0.065 0.000 1.186 338 A CA 1.984 54.053 52.037 0.053 0.000 0.624 338 A CB -0.332 18.700 19.000 0.053 0.000 0.822 338 A HN 0.412 nan 8.150 nan 0.000 0.444 339 A N -0.450 122.425 122.820 0.092 0.000 1.865 339 A HA -0.109 4.209 4.320 -0.003 0.000 0.217 339 A C 2.472 180.117 177.584 0.101 0.000 1.191 339 A CA 2.273 54.371 52.037 0.101 0.000 0.623 339 A CB -1.102 17.968 19.000 0.117 0.000 0.826 339 A HN 0.488 nan 8.150 nan 0.000 0.444 340 S N -0.294 115.467 115.700 0.101 0.000 2.353 340 S HA -0.214 4.255 4.470 -0.003 0.000 0.222 340 S C 2.051 176.678 174.600 0.044 0.000 1.035 340 S CA 1.627 59.876 58.200 0.081 0.000 1.025 340 S CB -0.399 62.846 63.200 0.076 0.000 0.902 340 S HN 0.594 nan 8.310 nan 0.000 0.440 341 R N 0.641 121.157 120.500 0.027 0.000 2.105 341 R HA -0.042 4.296 4.340 -0.003 0.000 0.239 341 R C 2.538 178.845 176.300 0.013 0.000 1.135 341 R CA 1.276 57.378 56.100 0.002 0.000 0.967 341 R CB -0.240 30.057 30.300 -0.005 0.000 0.861 341 R HN 0.134 nan 8.270 nan 0.000 0.442 342 R N 0.961 121.485 120.500 0.039 0.000 2.081 342 R HA -0.083 4.256 4.340 -0.003 0.000 0.235 342 R C 1.907 178.253 176.300 0.076 0.000 1.131 342 R CA 1.463 57.592 56.100 0.048 0.000 0.960 342 R CB -0.747 29.593 30.300 0.067 0.000 0.856 342 R HN 0.044 nan 8.270 nan 0.000 0.436 343 V N 0.951 120.942 119.914 0.129 0.000 2.343 343 V HA -0.191 3.928 4.120 -0.003 0.000 0.247 343 V C 2.270 178.438 176.094 0.124 0.000 1.051 343 V CA 1.633 64.066 62.300 0.222 0.000 1.036 343 V CB -0.664 31.293 31.823 0.223 0.000 0.654 343 V HN 0.301 nan 8.190 nan 0.000 0.451 344 L N 0.382 121.623 121.223 0.029 0.000 2.042 344 L HA -0.155 4.183 4.340 -0.003 0.000 0.210 344 L C 2.672 179.520 176.870 -0.037 0.000 1.076 344 L CA 2.468 57.288 54.840 -0.033 0.000 0.749 344 L CB -0.870 41.146 42.059 -0.070 0.000 0.893 344 L HN 0.367 nan 8.230 nan 0.000 0.432 345 S N -0.930 114.750 115.700 -0.034 0.000 2.359 345 S HA -0.201 4.267 4.470 -0.003 0.000 0.224 345 S C 1.678 176.218 174.600 -0.099 0.000 1.035 345 S CA 1.781 59.946 58.200 -0.059 0.000 1.018 345 S CB -0.437 62.736 63.200 -0.046 0.000 0.876 345 S HN 0.624 nan 8.310 nan 0.000 0.448 346 D N -1.110 119.210 120.400 -0.134 0.000 2.333 346 D HA 0.112 4.750 4.640 -0.003 0.000 0.208 346 D C 0.487 176.484 176.300 -0.505 0.000 0.984 346 D CA 0.761 54.551 54.000 -0.351 0.000 0.873 346 D CB 0.109 40.600 40.800 -0.514 0.000 0.935 346 D HN 0.592 nan 8.370 nan 0.000 0.521 347 Y N -0.738 119.571 120.300 0.016 0.000 2.590 347 Y HA 0.358 4.906 4.550 -0.003 0.000 0.263 347 Y C 1.382 177.240 175.900 -0.071 0.000 1.069 347 Y CA 0.068 58.173 58.100 0.008 0.000 1.242 347 Y CB 0.946 39.310 38.460 -0.159 0.000 1.357 347 Y HN -0.044 nan 8.280 nan 0.000 0.556 348 G N 1.498 110.311 108.800 0.022 0.000 2.681 348 G HA2 -0.278 3.681 3.960 -0.003 0.000 0.220 348 G HA3 -0.278 3.681 3.960 -0.003 0.000 0.220 348 G C -0.790 174.040 174.900 -0.116 0.000 1.353 348 G CA -0.436 44.635 45.100 -0.049 0.000 0.872 348 G HN 0.240 nan 8.290 nan 0.000 0.557 349 N N 0.327 118.884 118.700 -0.238 0.000 2.419 349 N HA 0.529 5.267 4.740 -0.003 0.000 0.264 349 N C 0.659 176.011 175.510 -0.265 0.000 1.031 349 N CA -0.278 52.544 53.050 -0.380 0.000 0.951 349 N CB 0.635 38.629 38.487 -0.821 0.000 1.101 349 N HN 0.495 nan 8.380 nan 0.000 0.488 350 M N 2.383 121.921 119.600 -0.102 0.000 2.869 350 M HA 0.113 4.591 4.480 -0.003 0.000 0.353 350 M C 0.797 177.164 176.300 0.111 0.000 1.224 350 M CA -0.325 54.986 55.300 0.018 0.000 0.917 350 M CB -0.084 32.452 32.600 -0.107 0.000 1.322 350 M HN 0.678 nan 8.290 nan 0.000 0.516 351 S N 1.093 116.888 115.700 0.160 0.000 3.938 351 S HA -0.274 4.194 4.470 -0.003 0.000 0.624 351 S C 1.489 176.088 174.600 -0.001 0.000 2.186 351 S CA 1.813 60.099 58.200 0.142 0.000 4.144 351 S CB -1.378 61.948 63.200 0.211 0.000 0.230 351 S HN 0.760 nan 8.310 nan 0.000 0.755 352 G N 0.814 109.599 108.800 -0.025 0.000 2.479 352 G HA2 0.123 4.082 3.960 -0.003 0.000 0.220 352 G HA3 0.123 4.082 3.960 -0.003 0.000 0.220 352 G C 1.623 176.546 174.900 0.038 0.000 1.115 352 G CA 1.390 46.467 45.100 -0.038 0.000 0.757 352 G HN 1.381 nan 8.290 nan 0.000 0.560 353 A N 0.100 122.974 122.820 0.090 0.000 2.021 353 A HA 0.159 4.477 4.320 -0.003 0.000 0.216 353 A C 2.460 180.198 177.584 0.257 0.000 1.163 353 A CA 1.901 54.044 52.037 0.177 0.000 0.676 353 A CB -0.557 18.585 19.000 0.236 0.000 0.818 353 A HN 0.261 nan 8.150 nan 0.000 0.453 354 T N -0.050 114.597 114.554 0.154 0.000 2.565 354 T HA -0.263 4.086 4.350 -0.003 0.000 0.265 354 T C 1.823 176.663 174.700 0.233 0.000 1.082 354 T CA 1.972 64.159 62.100 0.145 0.000 1.173 354 T CB -1.036 67.957 68.868 0.208 0.000 0.864 354 T HN 0.256 nan 8.240 nan 0.000 0.425 355 V N 1.368 121.423 119.914 0.235 0.000 2.370 355 V HA -0.197 3.922 4.120 -0.003 0.000 0.252 355 V C 2.247 178.421 176.094 0.134 0.000 1.068 355 V CA 1.730 64.139 62.300 0.181 0.000 1.061 355 V CB -0.614 31.299 31.823 0.150 0.000 0.656 355 V HN 0.554 nan 8.190 nan 0.000 0.455 356 I N -1.466 119.186 120.570 0.136 0.000 2.439 356 I HA -0.171 3.997 4.170 -0.003 0.000 0.251 356 I C 2.196 178.353 176.117 0.067 0.000 1.139 356 I CA 1.472 62.811 61.300 0.064 0.000 1.438 356 I CB -0.407 37.612 38.000 0.032 0.000 1.085 356 I HN 0.284 nan 8.210 nan 0.000 0.427 357 F N 1.153 121.083 119.950 -0.032 0.000 2.234 357 F HA -0.144 4.381 4.527 -0.002 0.000 0.299 357 F C 2.576 178.379 175.800 0.005 0.000 1.087 357 F CA 1.286 59.253 58.000 -0.055 0.000 1.340 357 F CB -0.574 38.361 39.000 -0.108 0.000 1.031 357 F HN -0.011 nan 8.300 nan 0.000 0.500 358 A N 0.273 123.226 122.820 0.222 0.000 1.845 358 A HA -0.168 4.151 4.320 -0.003 0.000 0.215 358 A C 2.229 179.861 177.584 0.079 0.000 1.195 358 A CA 1.396 53.522 52.037 0.150 0.000 0.616 358 A CB -1.194 17.888 19.000 0.137 0.000 0.832 358 A HN 0.316 nan 8.150 nan 0.000 0.443 359 L N 0.303 121.535 121.223 0.015 0.000 2.043 359 L HA -0.239 4.099 4.340 -0.003 0.000 0.212 359 L C 1.956 178.791 176.870 -0.058 0.000 1.075 359 L CA 3.069 57.841 54.840 -0.114 0.000 0.752 359 L CB -1.271 40.666 42.059 -0.203 0.000 0.891 359 L HN 0.567 nan 8.230 nan 0.000 0.432 360 D N -0.679 119.715 120.400 -0.010 0.000 2.117 360 D HA -0.241 4.397 4.640 -0.003 0.000 0.198 360 D C 2.071 178.401 176.300 0.051 0.000 0.982 360 D CA 1.178 55.184 54.000 0.010 0.000 0.828 360 D CB 0.168 40.925 40.800 -0.072 0.000 0.967 360 D HN 0.327 nan 8.370 nan 0.000 0.464 361 E N -0.246 120.002 120.200 0.080 0.000 2.110 361 E HA -0.138 4.210 4.350 -0.003 0.000 0.193 361 E C 1.967 178.617 176.600 0.083 0.000 0.988 361 E CA 0.628 57.091 56.400 0.105 0.000 0.804 361 E CB -0.555 29.233 29.700 0.146 0.000 0.745 361 E HN 0.351 nan 8.360 nan 0.000 0.458 362 L N 0.996 122.264 121.223 0.075 0.000 1.994 362 L HA -0.133 4.205 4.340 -0.003 0.000 0.208 362 L C 2.516 179.433 176.870 0.079 0.000 1.071 362 L CA 2.005 56.887 54.840 0.069 0.000 0.745 362 L CB -0.708 41.376 42.059 0.040 0.000 0.892 362 L HN 0.103 nan 8.230 nan 0.000 0.431 363 R N 0.144 120.720 120.500 0.127 0.000 2.103 363 R HA -0.209 4.130 4.340 -0.003 0.000 0.242 363 R C 2.329 178.664 176.300 0.059 0.000 1.142 363 R CA 2.035 58.217 56.100 0.137 0.000 0.960 363 R CB -0.362 30.056 30.300 0.196 0.000 0.858 363 R HN 0.424 nan 8.270 nan 0.000 0.439 364 R N 0.319 120.852 120.500 0.056 0.000 2.082 364 R HA -0.139 4.200 4.340 -0.003 0.000 0.234 364 R C 2.508 178.821 176.300 0.023 0.000 1.136 364 R CA 2.149 58.272 56.100 0.038 0.000 0.935 364 R CB -0.408 29.921 30.300 0.049 0.000 0.842 364 R HN 0.387 nan 8.270 nan 0.000 0.430 365 Q N -0.123 119.693 119.800 0.027 0.000 2.500 365 Q HA -0.022 4.316 4.340 -0.003 0.000 0.213 365 Q C 1.771 177.760 176.000 -0.018 0.000 0.974 365 Q CA 0.723 56.531 55.803 0.009 0.000 0.918 365 Q CB 0.279 29.030 28.738 0.022 0.000 0.980 365 Q HN 0.244 nan 8.270 nan 0.000 0.505 366 R N 0.028 120.518 120.500 -0.016 0.000 2.175 366 R HA 0.116 4.454 4.340 -0.003 0.000 0.202 366 R C 0.930 177.197 176.300 -0.055 0.000 1.018 366 R CA 0.228 56.299 56.100 -0.047 0.000 1.029 366 R CB 0.136 30.418 30.300 -0.029 0.000 0.959 366 R HN 0.054 nan 8.270 nan 0.000 0.480 376 P HA -0.046 nan 4.420 nan 0.000 0.265 376 P C 0.480 177.933 177.300 0.256 0.000 1.193 376 P CA 0.971 64.230 63.100 0.265 0.000 0.765 376 P CB 0.556 32.453 31.700 0.330 0.000 0.823 377 E N 2.929 123.176 120.200 0.079 0.000 2.299 377 E HA 0.028 4.376 4.350 -0.003 0.000 0.193 377 E C -0.104 176.466 176.600 -0.050 0.000 0.998 377 E CA 0.413 56.768 56.400 -0.075 0.000 0.851 377 E CB 0.078 29.682 29.700 -0.161 0.000 0.795 377 E HN 0.347 nan 8.360 nan 0.000 0.492 378 L N 0.579 121.767 121.223 -0.058 0.000 2.354 378 L HA 0.703 5.041 4.340 -0.003 0.000 0.269 378 L C 0.092 176.293 176.870 -1.116 0.000 1.005 378 L CA -0.750 53.892 54.840 -0.331 0.000 0.819 378 L CB 2.160 44.066 42.059 -0.254 0.000 1.311 378 L HN 0.155 nan 8.230 nan 0.000 0.423 379 G N 1.017 108.825 108.800 -1.654 0.000 2.682 379 G HA2 0.667 4.626 3.960 -0.003 0.000 0.290 379 G HA3 0.667 4.626 3.960 -0.003 0.000 0.290 379 G C -1.979 172.251 174.900 -1.115 0.000 1.425 379 G CA -0.415 43.349 45.100 -2.228 0.000 0.807 379 G HN 0.265 nan 8.290 nan 0.000 0.482 380 V N 0.748 120.100 119.914 -0.937 0.000 2.588 380 V HA 0.631 4.750 4.120 -0.003 0.000 0.304 380 V C -0.388 175.618 176.094 -0.147 0.000 1.042 380 V CA -0.532 61.477 62.300 -0.486 0.000 0.877 380 V CB 1.764 33.337 31.823 -0.417 0.000 0.996 380 V HN 0.804 nan 8.190 nan 0.000 0.425 381 M N 7.728 127.293 119.600 -0.059 0.000 2.125 381 M HA 0.752 5.230 4.480 -0.003 0.000 0.321 381 M C -0.917 175.416 176.300 0.055 0.000 0.983 381 M CA -0.426 54.888 55.300 0.023 0.000 0.934 381 M CB 1.012 33.598 32.600 -0.024 0.000 1.542 381 M HN 0.846 nan 8.290 nan 0.000 0.424 382 M N 4.277 123.929 119.600 0.086 0.000 2.484 382 M HA 0.941 5.420 4.480 -0.003 0.000 0.289 382 M C -2.012 174.284 176.300 -0.006 0.000 1.206 382 M CA -0.621 54.681 55.300 0.004 0.000 0.892 382 M CB 2.258 34.836 32.600 -0.038 0.000 1.712 382 M HN 0.586 nan 8.290 nan 0.000 0.462 383 A N 2.356 125.114 122.820 -0.103 0.000 2.401 383 A HA 0.914 5.232 4.320 -0.003 0.000 0.310 383 A C -1.903 175.574 177.584 -0.178 0.000 1.075 383 A CA -0.545 51.492 52.037 0.001 0.000 0.746 383 A CB 1.228 20.230 19.000 0.003 0.000 1.277 383 A HN 0.770 nan 8.150 nan 0.000 0.425 384 F N 0.643 120.727 119.950 0.222 0.000 2.469 384 F HA 0.714 5.240 4.527 -0.002 0.000 0.332 384 F C 0.899 176.833 175.800 0.224 0.000 1.103 384 F CA 0.371 58.495 58.000 0.206 0.000 0.979 384 F CB 2.649 41.756 39.000 0.178 0.000 1.137 384 F HN 0.861 nan 8.300 nan 0.000 0.463 385 G N 1.997 111.084 108.800 0.478 0.000 2.749 385 G HA2 0.602 4.561 3.960 -0.003 0.000 0.300 385 G HA3 0.602 4.561 3.960 -0.003 0.000 0.300 385 G C -3.259 171.865 174.900 0.373 0.000 1.352 385 G CA -1.722 43.626 45.100 0.413 0.000 0.789 385 G HN 0.237 nan 8.290 nan 0.000 0.509 386 P HA 0.350 nan 4.420 nan 0.000 0.267 386 P C 0.752 178.200 177.300 0.247 0.000 1.200 386 P CA 1.596 64.825 63.100 0.215 0.000 0.772 386 P CB 1.290 33.073 31.700 0.139 0.000 0.855 387 G N 1.192 110.082 108.800 0.150 0.000 4.278 387 G HA2 -0.098 3.861 3.960 -0.003 0.000 0.160 387 G HA3 -0.098 3.861 3.960 -0.003 0.000 0.160 387 G C -0.284 174.651 174.900 0.057 0.000 2.002 387 G CA -0.444 44.715 45.100 0.098 0.000 1.013 387 G HN 0.388 nan 8.290 nan 0.000 0.315 388 M N 2.690 122.331 119.600 0.068 0.000 2.217 388 M HA 0.381 4.859 4.480 -0.003 0.000 0.352 388 M C -0.302 176.065 176.300 0.112 0.000 1.376 388 M CA 0.724 56.096 55.300 0.120 0.000 1.107 388 M CB 0.668 33.341 32.600 0.121 0.000 1.723 388 M HN 0.250 nan 8.290 nan 0.000 0.461 389 T N 3.388 118.023 114.554 0.136 0.000 2.829 389 T HA 0.578 4.926 4.350 -0.003 0.000 0.282 389 T C -0.211 174.473 174.700 -0.026 0.000 0.990 389 T CA -0.600 61.487 62.100 -0.021 0.000 1.028 389 T CB 1.531 70.253 68.868 -0.244 0.000 0.951 389 T HN 0.453 nan 8.240 nan 0.000 0.460 390 V N 3.086 122.907 119.914 -0.156 0.000 2.448 390 V HA 0.503 4.621 4.120 -0.003 0.000 0.295 390 V C -0.486 175.414 176.094 -0.324 0.000 1.025 390 V CA -0.851 61.270 62.300 -0.298 0.000 0.859 390 V CB 1.845 33.529 31.823 -0.232 0.000 0.988 390 V HN 0.808 nan 8.190 nan 0.000 0.431 391 D N 3.040 123.248 120.400 -0.319 0.000 2.549 391 D HA 0.781 5.420 4.640 -0.003 0.000 0.251 391 D C -0.580 175.645 176.300 -0.126 0.000 1.153 391 D CA 0.114 53.983 54.000 -0.218 0.000 0.861 391 D CB 2.271 42.959 40.800 -0.187 0.000 1.207 391 D HN 0.846 nan 8.370 nan 0.000 0.543 392 A N 3.047 125.845 122.820 -0.037 0.000 2.587 392 A HA 0.802 5.121 4.320 -0.003 0.000 0.293 392 A C -1.170 176.602 177.584 0.313 0.000 1.087 392 A CA -0.656 51.450 52.037 0.115 0.000 0.692 392 A CB 1.570 20.677 19.000 0.177 0.000 1.291 392 A HN 0.503 nan 8.150 nan 0.000 0.407 393 M N 1.658 121.384 119.600 0.211 0.000 2.395 393 M HA 0.433 4.911 4.480 -0.003 0.000 0.307 393 M C -0.862 175.288 176.300 -0.250 0.000 1.091 393 M CA -0.328 55.032 55.300 0.100 0.000 0.919 393 M CB 2.128 34.748 32.600 0.034 0.000 1.662 393 M HN 0.653 nan 8.290 nan 0.000 0.440 394 L N 4.754 125.617 121.223 -0.599 0.000 2.281 394 L HA 0.554 4.893 4.340 -0.003 0.000 0.285 394 L C -1.525 175.162 176.870 -0.304 0.000 1.074 394 L CA -0.390 54.016 54.840 -0.724 0.000 0.817 394 L CB 0.437 41.955 42.059 -0.902 0.000 1.168 394 L HN 0.713 nan 8.230 nan 0.000 0.434 395 L N 4.756 125.837 121.223 -0.237 0.000 2.330 395 L HA 0.472 4.810 4.340 -0.003 0.000 0.271 395 L C -0.443 176.536 176.870 0.182 0.000 1.013 395 L CA -0.838 54.033 54.840 0.051 0.000 0.816 395 L CB 1.697 43.885 42.059 0.215 0.000 1.287 395 L HN 0.564 nan 8.230 nan 0.000 0.435 396 H N 2.265 121.468 119.070 0.222 0.000 2.511 396 H HA 0.503 5.057 4.556 -0.003 0.000 0.328 396 H C -0.922 174.569 175.328 0.273 0.000 1.044 396 H CA -0.689 55.487 56.048 0.214 0.000 1.212 396 H CB 1.844 31.651 29.762 0.075 0.000 1.428 396 H HN 0.728 nan 8.280 nan 0.000 0.483 397 A N 4.677 127.480 122.820 -0.028 0.000 2.409 397 A HA 0.327 4.645 4.320 -0.003 0.000 0.267 397 A C 0.845 178.295 177.584 -0.224 0.000 1.127 397 A CA 0.007 51.921 52.037 -0.206 0.000 0.795 397 A CB -0.149 18.686 19.000 -0.275 0.000 1.061 397 A HN 0.827 nan 8.150 nan 0.000 0.502 398 T N 0.600 115.054 114.554 -0.167 0.000 2.824 398 T HA 0.617 4.965 4.350 -0.003 0.000 0.277 398 T C 0.615 175.259 174.700 -0.094 0.000 0.975 398 T CA 0.035 62.115 62.100 -0.033 0.000 0.966 398 T CB 0.751 69.592 68.868 -0.044 0.000 1.054 398 T HN 1.066 nan 8.240 nan 0.000 0.533 399 S N 0.000 115.673 115.700 -0.045 0.000 2.498 399 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 399 S CA 0.000 58.171 58.200 -0.049 0.000 1.107 399 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 399 S HN 0.000 nan 8.310 nan 0.000 0.517