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 1pig_1_A DATA FIRST_RESID 2 DATA SEQUENCE YAPQTQSGRT SIVHLFEWRW VDIALEcERY LGPKGFGGVQ VSPPNENVVV DATA SEQUENCE TNPSRPWWER YQPVSYKLcT RSGNENEFRD MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGSGAAAGT GTTcGSYCNP GSREFPAVPY SAWDFNDGKc KTASGGIESY DATA SEQUENCE NDPYQVRDcQ LVGLLDLALE KDYVRSMIAD YLNKLIDIGV AGFRIDASKH DATA SEQUENCE MWPGDIKAVL DKLHNLNTNW FPAGSRPFIF QEVIDLGGEA ISSSEYFGNG DATA SEQUENCE RVTEFKYGAK LGTVVRKWSG EKMSYLKNWG EGWGFMPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGSS ILTFWDARLY KVAVGFMLAH PYGFTRVMSS YRWARNFVNG DATA SEQUENCE EDVNDWIGPP NNNGVIKEVT INADTTcGND WVcEHRWREI RNMVWFRNVV DATA SEQUENCE DGQPFANWWD NGSNQVAFGR GNRGFIVFNN DDWQLSSTLQ TGLPGGTYcN DATA SEQUENCE VISGDKVGNS cTGIKVYVSS DGTAQFSISN SAQDPFIAIH AESKL 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.972 175.900 0.121 0.000 1.272 2 Y CA 0.000 58.208 58.100 0.179 0.000 1.940 2 Y CB 0.000 38.490 38.460 0.051 0.000 1.050 3 A N 3.826 126.719 122.820 0.122 0.000 2.354 3 A HA 0.447 4.767 4.320 -0.001 0.000 0.281 3 A C -1.355 175.949 177.584 -0.466 0.000 1.174 3 A CA -1.094 50.858 52.037 -0.142 0.000 0.828 3 A CB 0.217 19.183 19.000 -0.056 0.000 1.099 3 A HN 0.089 nan 8.150 nan 0.000 0.516 4 P HA -0.194 nan 4.420 nan 0.000 0.221 4 P C -0.045 176.970 177.300 -0.474 0.000 1.145 4 P CA 0.980 63.114 63.100 -1.610 0.000 0.795 4 P CB 0.106 30.727 31.700 -1.798 0.000 0.775 5 Q N -1.264 118.399 119.800 -0.228 0.000 2.460 5 Q HA -0.121 4.218 4.340 -0.001 0.000 0.248 5 Q C 0.256 176.336 176.000 0.133 0.000 0.847 5 Q CA 1.409 57.230 55.803 0.030 0.000 1.214 5 Q CB -3.254 25.526 28.738 0.070 0.000 1.523 5 Q HN 0.504 nan 8.270 nan 0.000 0.602 6 T N -2.536 112.041 114.554 0.038 0.000 2.860 6 T HA 0.338 4.688 4.350 -0.001 0.000 0.299 6 T C 0.522 175.245 174.700 0.039 0.000 1.045 6 T CA -0.489 61.661 62.100 0.082 0.000 1.071 6 T CB 1.661 70.587 68.868 0.098 0.000 0.985 6 T HN 0.273 nan 8.240 nan 0.000 0.537 7 Q N 1.120 120.929 119.800 0.016 0.000 2.333 7 Q HA 0.084 4.424 4.340 -0.001 0.000 0.299 7 Q C 0.266 176.256 176.000 -0.016 0.000 1.067 7 Q CA -0.104 55.692 55.803 -0.012 0.000 0.943 7 Q CB 0.303 29.026 28.738 -0.025 0.000 1.233 7 Q HN 0.806 nan 8.270 nan 0.000 0.401 8 S N 2.299 117.986 115.700 -0.022 0.000 2.626 8 S HA 0.211 4.680 4.470 -0.001 0.000 0.303 8 S C 0.996 175.561 174.600 -0.059 0.000 1.256 8 S CA 1.130 59.310 58.200 -0.034 0.000 1.069 8 S CB -0.412 62.770 63.200 -0.031 0.000 0.807 8 S HN 1.021 nan 8.310 nan 0.000 0.500 9 G N 4.911 113.666 108.800 -0.075 0.000 2.268 9 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.240 9 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.240 9 G C 0.055 174.862 174.900 -0.154 0.000 1.010 9 G CA -0.025 44.999 45.100 -0.128 0.000 0.618 9 G HN 0.742 nan 8.290 nan 0.000 0.516 10 R N 1.288 121.730 120.500 -0.097 0.000 2.216 10 R HA 0.468 4.807 4.340 -0.001 0.000 0.332 10 R C 1.287 177.563 176.300 -0.039 0.000 1.056 10 R CA 0.557 56.606 56.100 -0.086 0.000 0.901 10 R CB 0.657 30.944 30.300 -0.020 0.000 1.039 10 R HN 0.375 nan 8.270 nan 0.000 0.456 11 T N -2.323 112.162 114.554 -0.116 0.000 3.054 11 T HA 0.186 4.535 4.350 -0.001 0.000 0.255 11 T C 0.457 174.899 174.700 -0.430 0.000 1.035 11 T CA -0.242 61.769 62.100 -0.148 0.000 0.941 11 T CB 0.432 69.191 68.868 -0.182 0.000 1.026 11 T HN 0.273 nan 8.240 nan 0.000 0.533 12 S N 0.243 115.756 115.700 -0.312 0.000 2.627 12 S HA 0.764 5.233 4.470 -0.001 0.000 0.283 12 S C -1.015 173.533 174.600 -0.086 0.000 1.127 12 S CA -0.877 57.079 58.200 -0.406 0.000 0.863 12 S CB 1.748 64.782 63.200 -0.276 0.000 1.121 12 S HN 0.334 nan 8.310 nan 0.000 0.479 13 I N 1.346 121.873 120.570 -0.071 0.000 2.646 13 I HA 0.584 4.753 4.170 -0.001 0.000 0.299 13 I C -1.186 174.991 176.117 0.100 0.000 1.036 13 I CA -0.930 60.428 61.300 0.096 0.000 1.074 13 I CB 2.072 40.103 38.000 0.052 0.000 1.258 13 I HN 0.257 nan 8.210 nan 0.000 0.430 14 V N 3.734 123.720 119.914 0.120 0.000 2.540 14 V HA 0.255 4.375 4.120 -0.001 0.000 0.302 14 V C -0.373 175.752 176.094 0.052 0.000 1.035 14 V CA -0.652 61.680 62.300 0.053 0.000 0.873 14 V CB 1.688 33.441 31.823 -0.117 0.000 0.992 14 V HN 0.666 nan 8.190 nan 0.000 0.428 15 H N 5.394 124.433 119.070 -0.051 0.000 2.761 15 H HA 0.411 4.966 4.556 -0.001 0.000 0.284 15 H C -0.532 174.733 175.328 -0.105 0.000 1.105 15 H CA -0.756 55.282 56.048 -0.016 0.000 1.352 15 H CB 0.699 30.475 29.762 0.023 0.000 1.423 15 H HN 0.536 nan 8.280 nan 0.000 0.464 16 L N 7.429 128.577 121.223 -0.125 0.000 2.422 16 L HA 0.055 4.394 4.340 -0.001 0.000 0.256 16 L C -0.103 176.656 176.870 -0.185 0.000 1.202 16 L CA -0.538 53.934 54.840 -0.615 0.000 1.119 16 L CB -0.555 40.867 42.059 -1.061 0.000 1.383 16 L HN 0.561 nan 8.230 nan 0.000 0.411 17 F N 4.269 124.001 119.950 -0.364 0.000 2.571 17 F HA -0.037 4.489 4.527 -0.001 0.000 0.390 17 F C 1.406 177.436 175.800 0.383 0.000 1.043 17 F CA 0.205 58.080 58.000 -0.208 0.000 1.164 17 F CB -0.091 38.700 39.000 -0.347 0.000 1.049 17 F HN 0.506 nan 8.300 nan 0.000 0.552 18 E N 2.373 122.617 120.200 0.073 0.000 3.370 18 E HA -0.308 4.041 4.350 -0.001 0.000 0.291 18 E C -0.496 176.234 176.600 0.217 0.000 0.916 18 E CA 0.927 57.350 56.400 0.038 0.000 0.981 18 E CB -1.676 27.915 29.700 -0.181 0.000 1.498 18 E HN 0.601 nan 8.360 nan 0.000 0.452 19 W N 1.365 122.619 121.300 -0.077 0.000 2.150 19 W HA 0.219 4.879 4.660 -0.001 0.000 0.341 19 W C 1.515 177.894 176.519 -0.233 0.000 1.276 19 W CA -0.033 57.161 57.345 -0.252 0.000 1.238 19 W CB 0.290 29.612 29.460 -0.230 0.000 1.128 19 W HN -0.105 nan 8.180 nan 0.000 0.581 20 R N 1.321 121.773 120.500 -0.080 0.000 2.500 20 R HA 0.150 4.489 4.340 -0.001 0.000 0.275 20 R C 1.065 177.437 176.300 0.120 0.000 1.051 20 R CA -0.460 55.528 56.100 -0.187 0.000 1.088 20 R CB 0.632 30.827 30.300 -0.176 0.000 1.063 20 R HN 0.685 nan 8.270 nan 0.000 0.511 21 W N 0.454 121.810 121.300 0.094 0.000 2.335 21 W HA -0.239 4.420 4.660 -0.001 0.000 0.311 21 W C 1.964 178.506 176.519 0.038 0.000 1.213 21 W CA 0.231 57.623 57.345 0.079 0.000 1.274 21 W CB -0.334 29.193 29.460 0.110 0.000 1.148 21 W HN 0.418 nan 8.180 nan 0.000 0.498 22 V N 1.162 121.231 119.914 0.258 0.000 2.407 22 V HA -0.276 3.843 4.120 -0.001 0.000 0.248 22 V C 1.758 177.911 176.094 0.098 0.000 1.055 22 V CA 2.404 64.786 62.300 0.137 0.000 1.049 22 V CB -0.571 31.300 31.823 0.080 0.000 0.662 22 V HN 0.069 nan 8.190 nan 0.000 0.455 23 D N -0.147 120.298 120.400 0.076 0.000 2.144 23 D HA -0.088 4.552 4.640 -0.001 0.000 0.200 23 D C 2.058 178.487 176.300 0.215 0.000 0.978 23 D CA 1.728 55.757 54.000 0.048 0.000 0.833 23 D CB -0.106 40.595 40.800 -0.166 0.000 0.961 23 D HN 0.509 nan 8.370 nan 0.000 0.470 24 I N 1.238 121.979 120.570 0.285 0.000 2.252 24 I HA -0.217 3.952 4.170 -0.001 0.000 0.245 24 I C 2.551 178.726 176.117 0.097 0.000 1.102 24 I CA 0.760 62.191 61.300 0.218 0.000 1.385 24 I CB -0.235 37.886 38.000 0.202 0.000 1.064 24 I HN -0.097 nan 8.210 nan 0.000 0.414 25 A N 1.298 124.168 122.820 0.083 0.000 1.883 25 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 25 A C 2.317 179.924 177.584 0.039 0.000 1.186 25 A CA 1.610 53.663 52.037 0.026 0.000 0.624 25 A CB -0.933 18.084 19.000 0.028 0.000 0.822 25 A HN 0.370 nan 8.150 nan 0.000 0.444 26 L N -1.197 120.064 121.223 0.064 0.000 2.017 26 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 26 L C 2.694 179.618 176.870 0.089 0.000 1.073 26 L CA 1.800 56.678 54.840 0.064 0.000 0.745 26 L CB -0.520 41.573 42.059 0.056 0.000 0.894 26 L HN 0.455 nan 8.230 nan 0.000 0.432 27 E N -0.311 119.965 120.200 0.127 0.000 2.118 27 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 27 E C 2.224 178.891 176.600 0.112 0.000 0.992 27 E CA 1.573 58.067 56.400 0.157 0.000 0.804 27 E CB -0.289 29.535 29.700 0.207 0.000 0.741 27 E HN 0.443 nan 8.360 nan 0.000 0.458 28 c N 0.380 119.010 118.600 0.049 0.000 2.432 28 c HA -0.099 4.470 4.570 -0.001 0.000 0.277 28 c C 2.369 176.483 174.090 0.041 0.000 1.249 28 c CA 1.197 57.536 56.329 0.017 0.000 1.725 28 c CB -0.891 41.600 42.510 -0.032 0.000 2.028 28 c HN 0.545 nan 8.230 nan 0.000 0.477 29 E N 0.476 120.702 120.200 0.044 0.000 2.072 29 E HA -0.167 4.183 4.350 -0.001 0.000 0.190 29 E C 2.347 178.990 176.600 0.071 0.000 0.982 29 E CA 0.976 57.404 56.400 0.046 0.000 0.803 29 E CB -0.242 29.479 29.700 0.036 0.000 0.755 29 E HN 0.699 nan 8.360 nan 0.000 0.453 30 R N -0.807 119.754 120.500 0.101 0.000 2.200 30 R HA -0.026 4.314 4.340 -0.001 0.000 0.208 30 R C 1.266 177.690 176.300 0.207 0.000 1.033 30 R CA 1.059 57.236 56.100 0.128 0.000 1.000 30 R CB 0.034 30.407 30.300 0.122 0.000 0.906 30 R HN 0.249 nan 8.270 nan 0.000 0.462 31 Y N 0.134 120.468 120.300 0.055 0.000 3.087 31 Y HA 0.257 4.807 4.550 -0.001 0.000 0.227 31 Y C 1.782 177.741 175.900 0.098 0.000 1.015 31 Y CA -0.248 57.896 58.100 0.074 0.000 1.399 31 Y CB 0.119 38.619 38.460 0.067 0.000 1.483 31 Y HN -0.163 nan 8.280 nan 0.000 0.420 32 L N 0.428 121.720 121.223 0.115 0.000 2.043 32 L HA -0.179 4.160 4.340 -0.001 0.000 0.212 32 L C 2.449 179.388 176.870 0.116 0.000 1.075 32 L CA 1.811 56.670 54.840 0.031 0.000 0.752 32 L CB -1.122 40.920 42.059 -0.029 0.000 0.891 32 L HN 0.515 nan 8.230 nan 0.000 0.432 33 G N 0.243 109.085 108.800 0.070 0.000 2.434 33 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.214 33 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.214 33 G C -0.629 174.321 174.900 0.083 0.000 1.202 33 G CA 0.661 45.804 45.100 0.071 0.000 0.788 33 G HN 0.311 nan 8.290 nan 0.000 0.539 34 P HA -0.044 nan 4.420 nan 0.000 0.216 34 P C 1.592 178.920 177.300 0.048 0.000 1.150 34 P CA 1.117 64.239 63.100 0.036 0.000 0.837 34 P CB 0.121 31.820 31.700 -0.001 0.000 0.786 35 K N -1.477 118.921 120.400 -0.003 0.000 2.487 35 K HA 0.188 4.507 4.320 -0.001 0.000 0.192 35 K C 1.273 178.077 176.600 0.340 0.000 1.027 35 K CA 0.756 57.073 56.287 0.051 0.000 1.054 35 K CB -0.972 31.405 32.500 -0.204 0.000 0.824 35 K HN 0.212 nan 8.250 nan 0.000 0.510 36 G N 1.576 110.573 108.800 0.329 0.000 2.160 36 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.244 36 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.244 36 G C -0.214 174.720 174.900 0.057 0.000 1.022 36 G CA -0.296 44.925 45.100 0.201 0.000 0.741 36 G HN 0.195 nan 8.290 nan 0.000 0.508 37 F N 0.353 120.329 119.950 0.043 0.000 2.412 37 F HA 0.509 5.035 4.527 -0.001 0.000 0.348 37 F C 1.809 177.624 175.800 0.025 0.000 1.102 37 F CA 0.796 58.816 58.000 0.034 0.000 1.196 37 F CB 1.410 40.439 39.000 0.048 0.000 1.144 37 F HN -0.001 nan 8.300 nan 0.000 0.541 38 G N 1.487 110.398 108.800 0.184 0.000 2.430 38 G HA2 0.381 4.341 3.960 -0.001 0.000 0.216 38 G HA3 0.381 4.341 3.960 -0.001 0.000 0.216 38 G C 0.489 175.521 174.900 0.220 0.000 1.146 38 G CA 0.699 45.898 45.100 0.165 0.000 0.793 38 G HN 1.019 nan 8.290 nan 0.000 0.537 39 G N -2.148 106.812 108.800 0.267 0.000 2.441 39 G HA2 0.454 4.413 3.960 -0.001 0.000 0.294 39 G HA3 0.454 4.413 3.960 -0.001 0.000 0.294 39 G C -2.182 172.863 174.900 0.243 0.000 1.393 39 G CA -0.283 44.993 45.100 0.293 0.000 0.796 39 G HN 0.466 nan 8.290 nan 0.000 0.494 40 V N 0.360 120.404 119.914 0.218 0.000 2.588 40 V HA 0.580 4.700 4.120 -0.001 0.000 0.304 40 V C -0.186 176.069 176.094 0.268 0.000 1.042 40 V CA -0.667 61.713 62.300 0.133 0.000 0.877 40 V CB 1.713 33.520 31.823 -0.028 0.000 0.996 40 V HN 0.829 nan 8.190 nan 0.000 0.425 41 Q N 3.460 123.419 119.800 0.265 0.000 2.331 41 Q HA 0.589 4.929 4.340 -0.001 0.000 0.257 41 Q C -0.606 175.599 176.000 0.342 0.000 0.957 41 Q CA -0.436 55.554 55.803 0.312 0.000 0.923 41 Q CB 1.764 30.622 28.738 0.199 0.000 1.212 41 Q HN 0.814 nan 8.270 nan 0.000 0.443 42 V N 1.239 121.346 119.914 0.322 0.000 2.997 42 V HA 0.574 4.694 4.120 -0.001 0.000 0.311 42 V C 0.163 176.542 176.094 0.476 0.000 1.066 42 V CA -0.733 61.821 62.300 0.423 0.000 1.039 42 V CB 1.655 33.716 31.823 0.398 0.000 1.081 42 V HN 0.727 nan 8.190 nan 0.000 0.467 43 S N 2.544 118.572 115.700 0.547 0.000 2.614 43 S HA 0.385 4.855 4.470 -0.001 0.000 0.265 43 S C -2.395 172.434 174.600 0.381 0.000 1.303 43 S CA -0.488 57.975 58.200 0.438 0.000 1.000 43 S CB 0.416 63.816 63.200 0.335 0.000 0.935 43 S HN 0.845 nan 8.310 nan 0.000 0.551 44 P HA 0.025 nan 4.420 nan 0.000 0.258 44 P C -1.888 175.564 177.300 0.254 0.000 1.172 44 P CA -0.579 62.607 63.100 0.143 0.000 0.762 44 P CB 0.106 31.762 31.700 -0.074 0.000 0.764 45 P HA -0.020 nan 4.420 nan 0.000 0.255 45 P C -0.259 177.134 177.300 0.155 0.000 1.248 45 P CA 0.406 63.697 63.100 0.318 0.000 0.807 45 P CB 0.055 31.700 31.700 -0.091 0.000 1.150 46 N N -0.284 118.483 118.700 0.112 0.000 2.515 46 N HA 0.106 4.846 4.740 -0.001 0.000 0.279 46 N C -0.068 175.432 175.510 -0.017 0.000 1.164 46 N CA -0.814 52.239 53.050 0.005 0.000 0.982 46 N CB 0.712 39.122 38.487 -0.129 0.000 1.170 46 N HN -0.138 nan 8.380 nan 0.000 0.474 47 E N 0.661 120.833 120.200 -0.047 0.000 2.452 47 E HA -0.108 4.241 4.350 -0.001 0.000 0.261 47 E C -0.617 175.953 176.600 -0.050 0.000 0.987 47 E CA -0.012 56.365 56.400 -0.038 0.000 0.926 47 E CB 0.276 29.951 29.700 -0.042 0.000 0.934 47 E HN 0.795 nan 8.360 nan 0.000 0.452 48 N N 2.286 120.973 118.700 -0.021 0.000 2.469 48 N HA 0.251 4.990 4.740 -0.001 0.000 0.286 48 N C -0.903 174.612 175.510 0.008 0.000 1.275 48 N CA -0.789 52.258 53.050 -0.005 0.000 0.790 48 N CB 1.403 39.894 38.487 0.006 0.000 1.446 48 N HN 0.279 nan 8.380 nan 0.000 0.501 49 V N 0.574 120.506 119.914 0.031 0.000 2.775 49 V HA 0.151 4.271 4.120 -0.001 0.000 0.299 49 V C -0.244 175.854 176.094 0.008 0.000 1.062 49 V CA -0.369 61.946 62.300 0.025 0.000 1.063 49 V CB 1.282 33.135 31.823 0.051 0.000 0.994 49 V HN 0.457 nan 8.190 nan 0.000 0.483 50 V N 6.839 126.746 119.914 -0.011 0.000 2.383 50 V HA 0.315 4.434 4.120 -0.001 0.000 0.275 50 V C -0.070 176.001 176.094 -0.038 0.000 1.036 50 V CA -0.342 61.939 62.300 -0.032 0.000 0.889 50 V CB 1.496 33.299 31.823 -0.034 0.000 0.985 50 V HN 0.609 nan 8.190 nan 0.000 0.459 51 V N 4.984 124.857 119.914 -0.068 0.000 2.370 51 V HA 0.294 4.414 4.120 -0.001 0.000 0.279 51 V C 1.105 177.124 176.094 -0.126 0.000 1.029 51 V CA 0.159 62.407 62.300 -0.087 0.000 0.870 51 V CB 1.506 33.247 31.823 -0.138 0.000 0.984 51 V HN 1.031 nan 8.190 nan 0.000 0.451 52 T N -0.054 114.439 114.554 -0.102 0.000 3.040 52 T HA 0.136 4.486 4.350 -0.001 0.000 0.250 52 T C 0.576 175.188 174.700 -0.147 0.000 1.058 52 T CA 0.097 62.131 62.100 -0.110 0.000 0.988 52 T CB -0.124 68.700 68.868 -0.075 0.000 0.993 52 T HN 0.564 nan 8.240 nan 0.000 0.519 53 N N 1.922 120.530 118.700 -0.154 0.000 2.609 53 N HA 0.360 5.100 4.740 -0.001 0.000 0.268 53 N C -3.104 172.288 175.510 -0.197 0.000 1.106 53 N CA -1.246 51.692 53.050 -0.186 0.000 0.823 53 N CB 1.700 40.120 38.487 -0.113 0.000 1.263 53 N HN 0.061 nan 8.380 nan 0.000 0.533 54 P HA 0.158 nan 4.420 nan 0.000 0.275 54 P C -0.655 176.351 177.300 -0.489 0.000 1.266 54 P CA -0.386 62.278 63.100 -0.726 0.000 0.793 54 P CB 0.575 31.341 31.700 -1.556 0.000 1.074 55 S N 2.367 117.827 115.700 -0.401 0.000 2.437 55 S HA 0.089 4.558 4.470 -0.001 0.000 0.304 55 S C -0.139 174.438 174.600 -0.039 0.000 1.167 55 S CA -0.324 57.795 58.200 -0.135 0.000 1.106 55 S CB -0.709 62.478 63.200 -0.022 0.000 1.099 55 S HN 0.316 nan 8.310 nan 0.000 0.524 56 R N -0.393 120.032 120.500 -0.125 0.000 3.079 56 R HA -0.125 4.215 4.340 -0.001 0.000 0.254 56 R C -2.991 173.225 176.300 -0.141 0.000 0.900 56 R CA 0.063 56.085 56.100 -0.129 0.000 0.641 56 R CB -2.667 27.588 30.300 -0.074 0.000 1.307 56 R HN 0.405 nan 8.270 nan 0.000 0.477 57 P HA 0.018 nan 4.420 nan 0.000 0.274 57 P C 1.437 178.464 177.300 -0.454 0.000 1.237 57 P CA -0.535 62.243 63.100 -0.537 0.000 0.793 57 P CB 0.144 30.845 31.700 -1.665 0.000 0.977 58 W N 2.359 123.548 121.300 -0.185 0.000 2.374 58 W HA -0.095 4.564 4.660 -0.001 0.000 0.288 58 W C 1.221 177.872 176.519 0.220 0.000 1.218 58 W CA 0.843 58.199 57.345 0.018 0.000 1.245 58 W CB -1.495 28.076 29.460 0.184 0.000 1.126 58 W HN 0.485 nan 8.180 nan 0.000 0.545 59 W N 3.419 124.261 121.300 -0.764 0.000 2.825 59 W HA 0.012 4.672 4.660 -0.001 0.000 0.243 59 W C 1.566 178.049 176.519 -0.059 0.000 1.293 59 W CA 0.888 57.897 57.345 -0.561 0.000 1.403 59 W CB -1.309 27.470 29.460 -1.134 0.000 1.134 59 W HN 0.196 nan 8.180 nan 0.000 0.666 60 E N 1.865 122.106 120.200 0.068 0.000 2.265 60 E HA -0.172 4.177 4.350 -0.001 0.000 0.196 60 E C 1.814 178.505 176.600 0.151 0.000 0.996 60 E CA 0.860 57.340 56.400 0.133 0.000 0.832 60 E CB -0.577 29.087 29.700 -0.061 0.000 0.756 60 E HN 0.251 nan 8.360 nan 0.000 0.491 61 R N -0.390 120.191 120.500 0.135 0.000 2.339 61 R HA -0.033 4.307 4.340 -0.001 0.000 0.199 61 R C 0.362 176.587 176.300 -0.126 0.000 1.018 61 R CA 0.696 56.796 56.100 0.000 0.000 1.036 61 R CB -0.056 30.217 30.300 -0.046 0.000 0.899 61 R HN 0.331 nan 8.270 nan 0.000 0.473 62 Y N 0.106 120.554 120.300 0.245 0.000 2.658 62 Y HA 0.213 4.762 4.550 -0.001 0.000 0.276 62 Y C 0.096 176.162 175.900 0.276 0.000 1.167 62 Y CA -0.111 58.158 58.100 0.280 0.000 1.230 62 Y CB 0.633 39.289 38.460 0.326 0.000 1.144 62 Y HN -0.102 nan 8.280 nan 0.000 0.529 63 Q N 1.138 121.091 119.800 0.255 0.000 2.932 63 Q HA 0.279 4.619 4.340 -0.001 0.000 0.248 63 Q C -2.757 173.302 176.000 0.098 0.000 0.982 63 Q CA -2.039 53.884 55.803 0.200 0.000 0.730 63 Q CB 1.415 30.261 28.738 0.179 0.000 1.249 63 Q HN 0.078 nan 8.270 nan 0.000 0.476 64 P HA -0.064 nan 4.420 nan 0.000 0.269 64 P C 0.420 177.650 177.300 -0.116 0.000 1.209 64 P CA 0.078 63.125 63.100 -0.089 0.000 0.776 64 P CB 0.987 32.581 31.700 -0.176 0.000 0.876 65 V N -0.737 119.111 119.914 -0.110 0.000 3.485 65 V HA 0.371 4.491 4.120 -0.001 0.000 0.280 65 V C 0.196 176.256 176.094 -0.058 0.000 1.495 65 V CA 0.741 63.065 62.300 0.041 0.000 1.018 65 V CB -0.096 31.799 31.823 0.120 0.000 0.818 65 V HN 0.678 nan 8.190 nan 0.000 0.436 66 S N -1.198 114.325 115.700 -0.295 0.000 2.656 66 S HA 0.573 5.042 4.470 -0.001 0.000 0.265 66 S C -1.005 173.220 174.600 -0.626 0.000 1.132 66 S CA -0.252 57.694 58.200 -0.423 0.000 0.819 66 S CB 0.749 63.850 63.200 -0.164 0.000 1.119 66 S HN 0.106 nan 8.310 nan 0.000 0.476 67 Y N 1.021 121.162 120.300 -0.265 0.000 2.658 67 Y HA 0.454 5.003 4.550 -0.001 0.000 0.276 67 Y C 0.577 176.333 175.900 -0.240 0.000 1.167 67 Y CA -0.729 57.099 58.100 -0.453 0.000 1.230 67 Y CB -0.053 38.067 38.460 -0.567 0.000 1.144 67 Y HN 0.391 nan 8.280 nan 0.000 0.529 68 K N 1.151 121.524 120.400 -0.044 0.000 2.298 68 K HA 0.265 4.585 4.320 -0.001 0.000 0.280 68 K C -0.277 176.332 176.600 0.016 0.000 1.032 68 K CA -0.224 56.067 56.287 0.007 0.000 0.958 68 K CB 0.860 33.363 32.500 0.005 0.000 0.978 68 K HN 0.171 nan 8.250 nan 0.000 0.472 69 L N 3.767 125.009 121.223 0.032 0.000 2.395 69 L HA 0.150 4.489 4.340 -0.001 0.000 0.268 69 L C -0.270 176.658 176.870 0.097 0.000 1.223 69 L CA -0.483 54.368 54.840 0.018 0.000 1.093 69 L CB -0.125 41.880 42.059 -0.090 0.000 1.349 69 L HN 0.620 nan 8.230 nan 0.000 0.427 70 c N 2.531 121.190 118.600 0.098 0.000 2.982 70 c HA 0.596 5.166 4.570 -0.001 0.000 0.372 70 c C 0.335 174.463 174.090 0.063 0.000 1.061 70 c CA -0.129 56.257 56.329 0.095 0.000 1.309 70 c CB 0.489 43.034 42.510 0.058 0.000 1.766 70 c HN 0.878 nan 8.230 nan 0.000 0.504 71 T N 1.803 116.392 114.554 0.058 0.000 2.618 71 T HA 0.512 4.861 4.350 -0.001 0.000 0.286 71 T C 0.943 175.588 174.700 -0.091 0.000 1.027 71 T CA -0.612 61.480 62.100 -0.014 0.000 1.063 71 T CB 1.024 69.888 68.868 -0.006 0.000 1.440 71 T HN 0.507 nan 8.240 nan 0.000 0.505 72 R N 0.055 120.479 120.500 -0.127 0.000 2.280 72 R HA 0.103 4.443 4.340 -0.001 0.000 0.207 72 R C 1.959 178.098 176.300 -0.269 0.000 1.043 72 R CA 0.701 56.708 56.100 -0.154 0.000 1.006 72 R CB -0.310 29.916 30.300 -0.124 0.000 0.885 72 R HN 0.528 nan 8.270 nan 0.000 0.467 73 S N -0.544 114.874 115.700 -0.470 0.000 2.478 73 S HA 0.158 4.627 4.470 -0.001 0.000 0.222 73 S C 0.695 174.681 174.600 -1.023 0.000 1.008 73 S CA 0.642 58.286 58.200 -0.926 0.000 0.928 73 S CB 0.832 62.958 63.200 -1.790 0.000 0.781 73 S HN 0.620 nan 8.310 nan 0.000 0.518 74 G N 1.499 109.969 108.800 -0.552 0.000 2.368 74 G HA2 0.173 4.132 3.960 -0.001 0.000 0.302 74 G HA3 0.173 4.132 3.960 -0.001 0.000 0.302 74 G C -1.506 173.526 174.900 0.220 0.000 1.329 74 G CA -0.715 44.319 45.100 -0.111 0.000 0.935 74 G HN 0.300 nan 8.290 nan 0.000 0.590 75 N N -0.701 118.173 118.700 0.291 0.000 2.538 75 N HA 0.401 5.140 4.740 -0.001 0.000 0.292 75 N C 1.044 176.754 175.510 0.332 0.000 1.262 75 N CA 0.008 53.210 53.050 0.254 0.000 0.976 75 N CB 1.001 39.582 38.487 0.156 0.000 1.161 75 N HN 0.759 nan 8.380 nan 0.000 0.598 76 E N -0.283 120.049 120.200 0.220 0.000 2.118 76 E HA -0.228 4.121 4.350 -0.001 0.000 0.195 76 E C 1.036 177.769 176.600 0.222 0.000 0.992 76 E CA 1.209 57.731 56.400 0.203 0.000 0.804 76 E CB -0.181 29.596 29.700 0.129 0.000 0.741 76 E HN 0.621 nan 8.360 nan 0.000 0.458 77 N N -0.137 118.671 118.700 0.179 0.000 2.120 77 N HA -0.171 4.569 4.740 -0.001 0.000 0.188 77 N C 1.695 177.300 175.510 0.160 0.000 1.024 77 N CA 1.251 54.389 53.050 0.146 0.000 0.852 77 N CB -0.015 38.541 38.487 0.115 0.000 1.003 77 N HN 0.243 nan 8.380 nan 0.000 0.424 78 E N 0.150 120.484 120.200 0.224 0.000 2.106 78 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 78 E C 1.582 178.313 176.600 0.218 0.000 0.984 78 E CA 0.694 57.249 56.400 0.258 0.000 0.806 78 E CB -0.108 29.810 29.700 0.363 0.000 0.750 78 E HN 0.337 nan 8.360 nan 0.000 0.458 79 F N 1.870 121.831 119.950 0.017 0.000 2.084 79 F HA -0.132 4.395 4.527 -0.001 0.000 0.296 79 F C 2.236 177.896 175.800 -0.233 0.000 1.111 79 F CA 1.486 59.244 58.000 -0.403 0.000 1.224 79 F CB 0.052 38.785 39.000 -0.446 0.000 0.991 79 F HN -0.216 nan 8.300 nan 0.000 0.471 80 R N -0.006 120.502 120.500 0.013 0.000 2.083 80 R HA -0.219 4.120 4.340 -0.001 0.000 0.237 80 R C 1.986 178.222 176.300 -0.106 0.000 1.137 80 R CA 1.877 57.955 56.100 -0.037 0.000 0.951 80 R CB -0.892 29.460 30.300 0.085 0.000 0.851 80 R HN 0.339 nan 8.270 nan 0.000 0.434 81 D N 0.498 120.870 120.400 -0.046 0.000 2.123 81 D HA -0.209 4.430 4.640 -0.001 0.000 0.196 81 D C 1.931 178.168 176.300 -0.104 0.000 0.992 81 D CA 1.342 55.322 54.000 -0.033 0.000 0.833 81 D CB 0.011 40.824 40.800 0.023 0.000 0.954 81 D HN 0.109 nan 8.370 nan 0.000 0.455 82 M N -0.272 119.223 119.600 -0.176 0.000 2.067 82 M HA -0.179 4.300 4.480 -0.001 0.000 0.260 82 M C 1.907 177.997 176.300 -0.349 0.000 1.069 82 M CA 1.454 56.614 55.300 -0.233 0.000 1.117 82 M CB -0.155 32.270 32.600 -0.291 0.000 1.334 82 M HN 0.004 nan 8.290 nan 0.000 0.407 83 V N 0.708 120.306 119.914 -0.527 0.000 2.332 83 V HA -0.284 3.836 4.120 -0.001 0.000 0.248 83 V C 2.345 178.132 176.094 -0.510 0.000 1.055 83 V CA 2.415 64.379 62.300 -0.561 0.000 1.038 83 V CB -1.439 30.014 31.823 -0.617 0.000 0.651 83 V HN 0.610 nan 8.190 nan 0.000 0.450 84 T N -0.298 114.063 114.554 -0.321 0.000 2.674 84 T HA -0.195 4.155 4.350 -0.001 0.000 0.265 84 T C 2.077 176.684 174.700 -0.155 0.000 1.039 84 T CA 1.653 63.653 62.100 -0.167 0.000 1.150 84 T CB -0.266 68.652 68.868 0.082 0.000 0.864 84 T HN 0.410 nan 8.240 nan 0.000 0.427 85 R N 0.126 120.555 120.500 -0.118 0.000 2.091 85 R HA -0.070 4.270 4.340 -0.001 0.000 0.238 85 R C 2.815 179.039 176.300 -0.126 0.000 1.136 85 R CA 1.496 57.548 56.100 -0.079 0.000 0.959 85 R CB -0.832 29.438 30.300 -0.050 0.000 0.856 85 R HN 0.386 nan 8.270 nan 0.000 0.437 86 c N 0.544 119.023 118.600 -0.202 0.000 2.453 86 c HA -0.023 4.547 4.570 -0.001 0.000 0.277 86 c C 2.346 176.266 174.090 -0.283 0.000 1.262 86 c CA 0.395 56.598 56.329 -0.210 0.000 1.718 86 c CB -1.008 41.360 42.510 -0.236 0.000 2.031 86 c HN 0.512 nan 8.230 nan 0.000 0.480 87 N N 1.647 120.050 118.700 -0.495 0.000 2.104 87 N HA -0.112 4.628 4.740 -0.001 0.000 0.190 87 N C 1.345 176.609 175.510 -0.410 0.000 1.024 87 N CA 1.257 53.855 53.050 -0.752 0.000 0.853 87 N CB -0.658 36.737 38.487 -1.821 0.000 1.008 87 N HN 0.522 nan 8.380 nan 0.000 0.424 88 N N 0.403 119.000 118.700 -0.170 0.000 2.289 88 N HA -0.101 4.638 4.740 -0.001 0.000 0.184 88 N C 1.437 176.949 175.510 0.003 0.000 1.016 88 N CA 0.770 53.855 53.050 0.057 0.000 0.872 88 N CB -0.136 38.412 38.487 0.101 0.000 0.973 88 N HN 0.284 nan 8.380 nan 0.000 0.433 89 V N -3.858 116.028 119.914 -0.046 0.000 3.421 89 V HA 0.534 4.654 4.120 -0.001 0.000 0.316 89 V C 1.171 177.246 176.094 -0.031 0.000 1.347 89 V CA 0.241 62.528 62.300 -0.022 0.000 1.183 89 V CB -0.198 31.619 31.823 -0.010 0.000 1.092 89 V HN 0.235 nan 8.190 nan 0.000 0.433 90 G N 0.111 108.869 108.800 -0.070 0.000 2.143 90 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.249 90 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.249 90 G C 0.003 174.862 174.900 -0.068 0.000 0.981 90 G CA 0.073 45.131 45.100 -0.069 0.000 0.665 90 G HN 0.955 nan 8.290 nan 0.000 0.528 91 V N 0.844 120.701 119.914 -0.096 0.000 2.347 91 V HA 0.619 4.739 4.120 -0.001 0.000 0.280 91 V C 0.818 176.822 176.094 -0.150 0.000 1.021 91 V CA -0.971 61.290 62.300 -0.066 0.000 0.847 91 V CB 1.353 33.152 31.823 -0.040 0.000 0.990 91 V HN 0.344 nan 8.190 nan 0.000 0.444 92 R N 3.857 124.295 120.500 -0.103 0.000 2.615 92 R HA 0.512 4.851 4.340 -0.001 0.000 0.270 92 R C -0.434 175.660 176.300 -0.344 0.000 1.081 92 R CA -0.229 55.732 56.100 -0.232 0.000 1.154 92 R CB 0.503 30.696 30.300 -0.179 0.000 1.063 92 R HN 0.513 nan 8.270 nan 0.000 0.519 93 I N 3.191 123.441 120.570 -0.533 0.000 2.433 93 I HA 0.250 4.419 4.170 -0.001 0.000 0.292 93 I C -0.865 174.852 176.117 -0.667 0.000 1.001 93 I CA -0.711 60.316 61.300 -0.455 0.000 1.119 93 I CB 1.288 39.043 38.000 -0.407 0.000 1.289 93 I HN 0.522 nan 8.210 nan 0.000 0.438 94 Y N 4.677 124.972 120.300 -0.008 0.000 2.331 94 Y HA 0.468 5.017 4.550 -0.001 0.000 0.334 94 Y C 0.205 176.124 175.900 0.032 0.000 0.960 94 Y CA -0.912 57.191 58.100 0.006 0.000 1.130 94 Y CB 1.902 40.500 38.460 0.230 0.000 1.164 94 Y HN 0.186 nan 8.280 nan 0.000 0.458 95 V N 3.082 123.051 119.914 0.091 0.000 2.509 95 V HA 0.102 4.221 4.120 -0.001 0.000 0.284 95 V C -0.144 176.085 176.094 0.224 0.000 1.047 95 V CA -0.655 61.772 62.300 0.212 0.000 0.952 95 V CB 1.423 33.419 31.823 0.287 0.000 0.988 95 V HN 0.661 nan 8.190 nan 0.000 0.469 96 D N 4.138 124.658 120.400 0.201 0.000 2.352 96 D HA 0.344 4.984 4.640 -0.001 0.000 0.245 96 D C 0.070 176.467 176.300 0.161 0.000 1.224 96 D CA -0.107 53.984 54.000 0.151 0.000 0.879 96 D CB 1.220 42.134 40.800 0.190 0.000 1.057 96 D HN 0.678 nan 8.370 nan 0.000 0.491 97 A N 4.269 127.155 122.820 0.110 0.000 2.316 97 A HA 0.398 4.717 4.320 -0.001 0.000 0.311 97 A C -0.160 177.466 177.584 0.069 0.000 1.339 97 A CA -0.671 51.409 52.037 0.071 0.000 0.960 97 A CB 0.520 19.443 19.000 -0.128 0.000 1.152 97 A HN 0.387 nan 8.150 nan 0.000 0.547 98 V N 5.500 125.473 119.914 0.098 0.000 2.304 98 V HA 0.183 4.302 4.120 -0.001 0.000 0.262 98 V C 0.881 176.944 176.094 -0.052 0.000 1.061 98 V CA 0.290 62.602 62.300 0.019 0.000 0.872 98 V CB -0.268 31.569 31.823 0.022 0.000 1.077 98 V HN 0.878 nan 8.190 nan 0.000 0.480 99 I N 0.816 121.333 120.570 -0.090 0.000 4.240 99 I HA 0.349 4.518 4.170 -0.001 0.000 0.331 99 I C 1.441 177.488 176.117 -0.116 0.000 1.381 99 I CA 0.218 61.473 61.300 -0.074 0.000 1.136 99 I CB 0.239 38.203 38.000 -0.059 0.000 1.137 99 I HN 0.477 nan 8.210 nan 0.000 0.411 100 N N 1.611 120.208 118.700 -0.173 0.000 2.416 100 N HA -0.051 4.688 4.740 -0.001 0.000 0.177 100 N C 0.323 175.823 175.510 -0.016 0.000 1.036 100 N CA 1.175 54.200 53.050 -0.042 0.000 0.901 100 N CB 0.059 38.625 38.487 0.132 0.000 0.976 100 N HN 0.790 nan 8.380 nan 0.000 0.444 101 H N -4.289 114.782 119.070 0.001 0.000 2.948 101 H HA 0.471 5.027 4.556 -0.001 0.000 0.315 101 H C -0.585 174.715 175.328 -0.046 0.000 1.360 101 H CA -1.060 54.980 56.048 -0.013 0.000 1.125 101 H CB 0.494 30.261 29.762 0.008 0.000 1.844 101 H HN -0.268 nan 8.280 nan 0.000 0.529 102 M N 0.351 120.018 119.600 0.112 0.000 2.391 102 M HA 0.393 4.872 4.480 -0.001 0.000 0.228 102 M C 0.825 177.192 176.300 0.112 0.000 0.847 102 M CA -0.767 54.479 55.300 -0.090 0.000 1.605 102 M CB 0.362 32.639 32.600 -0.538 0.000 1.220 102 M HN 0.948 nan 8.290 nan 0.000 0.822 103 C N -0.029 119.314 119.300 0.071 0.000 2.641 103 C HA 0.713 5.172 4.460 -0.001 0.000 0.318 103 C C 1.013 176.058 174.990 0.090 0.000 1.490 103 C CA -0.957 58.141 59.018 0.133 0.000 2.260 103 C CB -0.940 26.898 27.740 0.164 0.000 2.103 103 C HN 0.833 nan 8.230 nan 0.000 0.641 104 G N 0.868 109.698 108.800 0.050 0.000 2.365 104 G HA2 0.375 4.335 3.960 -0.001 0.000 0.249 104 G HA3 0.375 4.335 3.960 -0.001 0.000 0.249 104 G C 0.933 175.828 174.900 -0.008 0.000 1.288 104 G CA 0.400 45.496 45.100 -0.007 0.000 0.887 104 G HN 1.446 nan 8.290 nan 0.000 0.524 105 S N 1.624 117.301 115.700 -0.039 0.000 2.440 105 S HA -0.091 4.378 4.470 -0.001 0.000 0.238 105 S C 2.149 176.713 174.600 -0.060 0.000 1.010 105 S CA 1.119 59.284 58.200 -0.060 0.000 0.972 105 S CB -0.033 63.122 63.200 -0.076 0.000 0.774 105 S HN 0.808 nan 8.310 nan 0.000 0.501 106 G N 0.834 109.603 108.800 -0.050 0.000 2.880 106 G HA2 0.498 4.458 3.960 -0.001 0.000 0.209 106 G HA3 0.498 4.458 3.960 -0.001 0.000 0.209 106 G C 0.463 175.337 174.900 -0.043 0.000 1.157 106 G CA 0.090 45.162 45.100 -0.048 0.000 0.779 106 G HN 0.803 nan 8.290 nan 0.000 0.539 107 A N 0.233 123.031 122.820 -0.037 0.000 2.466 107 A HA 0.644 4.963 4.320 -0.001 0.000 0.238 107 A C 0.830 178.374 177.584 -0.066 0.000 1.074 107 A CA 0.393 52.408 52.037 -0.036 0.000 0.774 107 A CB 0.261 19.251 19.000 -0.016 0.000 1.015 107 A HN 0.900 nan 8.150 nan 0.000 0.498 108 A N 0.666 123.446 122.820 -0.067 0.000 2.322 108 A HA 0.631 4.950 4.320 -0.001 0.000 0.269 108 A C 0.740 178.247 177.584 -0.129 0.000 1.094 108 A CA 0.097 52.086 52.037 -0.080 0.000 0.807 108 A CB 0.032 18.998 19.000 -0.056 0.000 1.047 108 A HN 2.172 nan 8.150 nan 0.000 0.487 109 A N 0.446 123.183 122.820 -0.139 0.000 2.407 109 A HA 0.669 4.989 4.320 -0.001 0.000 0.248 109 A C 0.855 178.330 177.584 -0.183 0.000 1.082 109 A CA 0.691 52.590 52.037 -0.230 0.000 0.785 109 A CB -0.141 18.785 19.000 -0.123 0.000 1.020 109 A HN 2.661 nan 8.150 nan 0.000 0.489 110 G N -0.458 108.127 108.800 -0.359 0.000 2.339 110 G HA2 0.401 4.361 3.960 -0.001 0.000 0.275 110 G HA3 0.401 4.361 3.960 -0.001 0.000 0.275 110 G C -0.022 174.801 174.900 -0.127 0.000 1.323 110 G CA 0.395 45.434 45.100 -0.101 0.000 0.927 110 G HN 1.600 nan 8.290 nan 0.000 0.486 111 T N -2.085 112.478 114.554 0.015 0.000 3.266 111 T HA 0.499 4.849 4.350 -0.001 0.000 0.278 111 T C 1.109 175.807 174.700 -0.003 0.000 1.010 111 T CA 0.992 63.108 62.100 0.026 0.000 0.909 111 T CB 0.690 69.609 68.868 0.085 0.000 1.122 111 T HN 1.630 nan 8.240 nan 0.000 0.536 112 G N 2.545 111.328 108.800 -0.028 0.000 3.101 112 G HA2 0.451 4.411 3.960 -0.001 0.000 0.272 112 G HA3 0.451 4.411 3.960 -0.001 0.000 0.272 112 G C 0.147 175.031 174.900 -0.026 0.000 0.801 112 G CA -0.299 44.786 45.100 -0.025 0.000 1.978 112 G HN 0.648 nan 8.290 nan 0.000 0.591 113 T N -2.907 111.637 114.554 -0.017 0.000 2.901 113 T HA 0.467 4.817 4.350 -0.001 0.000 0.293 113 T C 1.451 176.146 174.700 -0.009 0.000 1.084 113 T CA 0.122 62.214 62.100 -0.012 0.000 1.008 113 T CB 1.550 70.413 68.868 -0.009 0.000 1.170 113 T HN 0.185 nan 8.240 nan 0.000 0.509 114 T N -2.355 112.193 114.554 -0.010 0.000 2.977 114 T HA -0.090 4.259 4.350 -0.001 0.000 0.271 114 T C 1.525 176.224 174.700 -0.001 0.000 1.105 114 T CA 1.026 63.120 62.100 -0.011 0.000 1.116 114 T CB -0.652 68.207 68.868 -0.015 0.000 0.878 114 T HN 0.683 nan 8.240 nan 0.000 0.509 115 c N 0.303 118.906 118.600 0.005 0.000 3.491 115 c HA 0.674 5.243 4.570 -0.001 0.000 0.298 115 c C 1.996 176.097 174.090 0.018 0.000 1.424 115 c CA 0.017 56.354 56.329 0.013 0.000 1.772 115 c CB -0.730 41.790 42.510 0.017 0.000 2.447 115 c HN 0.916 nan 8.230 nan 0.000 0.670 116 G N 1.500 110.310 108.800 0.016 0.000 2.141 116 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.242 116 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.242 116 G C 0.139 175.064 174.900 0.043 0.000 0.982 116 G CA 0.504 45.619 45.100 0.026 0.000 0.662 116 G HN 0.545 nan 8.290 nan 0.000 0.527 117 S N -0.619 115.104 115.700 0.038 0.000 2.593 117 S HA 0.531 5.001 4.470 -0.001 0.000 0.269 117 S C -0.101 174.545 174.600 0.077 0.000 1.334 117 S CA -0.298 57.938 58.200 0.061 0.000 1.015 117 S CB 1.133 64.358 63.200 0.042 0.000 0.912 117 S HN 0.588 nan 8.310 nan 0.000 0.541 118 Y N 1.424 121.717 120.300 -0.013 0.000 2.352 118 Y HA 0.537 5.086 4.550 -0.001 0.000 0.326 118 Y C 0.024 175.885 175.900 -0.064 0.000 1.166 118 Y CA -0.845 57.234 58.100 -0.036 0.000 1.182 118 Y CB 0.625 39.062 38.460 -0.038 0.000 1.216 118 Y HN 0.911 nan 8.280 nan 0.000 0.474 119 C N 3.959 122.649 119.300 -1.017 0.000 3.285 119 C HA 0.590 5.050 4.460 -0.001 0.000 0.325 119 C C -1.462 172.869 174.990 -1.098 0.000 1.304 119 C CA -1.043 57.454 59.018 -0.868 0.000 1.319 119 C CB 1.622 29.032 27.740 -0.550 0.000 1.640 119 C HN 0.911 nan 8.230 nan 0.000 0.477 120 N N 1.765 119.975 118.700 -0.817 0.000 2.707 120 N HA 0.375 5.115 4.740 -0.001 0.000 0.249 120 N C -1.785 173.433 175.510 -0.486 0.000 1.299 120 N CA -1.600 51.143 53.050 -0.512 0.000 0.769 120 N CB 1.538 39.889 38.487 -0.228 0.000 1.236 120 N HN 0.590 nan 8.380 nan 0.000 0.524 121 P HA -0.065 nan 4.420 nan 0.000 0.221 121 P C 1.293 178.467 177.300 -0.211 0.000 1.145 121 P CA 0.944 63.868 63.100 -0.292 0.000 0.795 121 P CB 0.208 31.838 31.700 -0.117 0.000 0.775 122 G N 0.100 108.795 108.800 -0.174 0.000 2.402 122 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.216 122 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.216 122 G C 1.469 176.300 174.900 -0.116 0.000 1.162 122 G CA 0.557 45.584 45.100 -0.121 0.000 0.777 122 G HN 0.270 nan 8.290 nan 0.000 0.539 123 S N -0.144 115.481 115.700 -0.125 0.000 2.597 123 S HA 0.251 4.721 4.470 -0.001 0.000 0.224 123 S C 0.797 175.335 174.600 -0.104 0.000 0.955 123 S CA -0.383 57.767 58.200 -0.083 0.000 0.933 123 S CB 0.237 63.412 63.200 -0.041 0.000 0.788 123 S HN 0.323 nan 8.310 nan 0.000 0.488 124 R N 2.045 122.421 120.500 -0.206 0.000 3.525 124 R HA -0.162 4.177 4.340 -0.001 0.000 0.276 124 R C -0.471 175.795 176.300 -0.057 0.000 1.116 124 R CA 0.830 56.782 56.100 -0.247 0.000 0.745 124 R CB -2.254 27.884 30.300 -0.270 0.000 1.185 124 R HN 0.738 nan 8.270 nan 0.000 0.454 125 E N -0.203 119.835 120.200 -0.269 0.000 2.129 125 E HA 0.430 4.779 4.350 -0.001 0.000 0.268 125 E C -0.876 175.454 176.600 -0.451 0.000 0.900 125 E CA -0.754 55.556 56.400 -0.150 0.000 0.755 125 E CB 0.910 30.592 29.700 -0.030 0.000 1.117 125 E HN 0.101 nan 8.360 nan 0.000 0.410 126 F N 3.680 123.710 119.950 0.132 0.000 2.564 126 F HA 0.313 4.839 4.527 -0.001 0.000 0.361 126 F C -1.959 173.886 175.800 0.076 0.000 1.161 126 F CA -2.331 55.727 58.000 0.097 0.000 1.198 126 F CB 1.694 40.789 39.000 0.158 0.000 1.424 126 F HN 0.415 nan 8.300 nan 0.000 0.517 127 P HA -0.234 nan 4.420 nan 0.000 0.217 127 P C 1.540 178.897 177.300 0.095 0.000 1.148 127 P CA 1.500 64.681 63.100 0.134 0.000 0.828 127 P CB 0.308 32.098 31.700 0.151 0.000 0.783 128 A N -1.309 121.564 122.820 0.089 0.000 2.209 128 A HA -0.044 4.276 4.320 -0.001 0.000 0.212 128 A C 2.052 179.621 177.584 -0.025 0.000 1.158 128 A CA 1.088 53.145 52.037 0.034 0.000 0.742 128 A CB -1.204 17.812 19.000 0.026 0.000 0.790 128 A HN 0.052 nan 8.150 nan 0.000 0.472 129 V N 0.422 120.299 119.914 -0.061 0.000 2.326 129 V HA 0.051 4.170 4.120 -0.001 0.000 0.238 129 V C -1.367 174.642 176.094 -0.142 0.000 1.038 129 V CA 1.123 63.298 62.300 -0.207 0.000 1.032 129 V CB -0.902 30.584 31.823 -0.561 0.000 0.675 129 V HN 0.497 nan 8.190 nan 0.000 0.467 130 P HA 0.430 nan 4.420 nan 0.000 0.292 130 P C -2.006 175.286 177.300 -0.014 0.000 1.300 130 P CA -0.234 62.862 63.100 -0.006 0.000 0.900 130 P CB 1.867 33.619 31.700 0.088 0.000 1.139 131 Y N -0.371 120.024 120.300 0.158 0.000 2.545 131 Y HA 0.532 5.081 4.550 -0.001 0.000 0.348 131 Y C 0.695 176.659 175.900 0.107 0.000 1.002 131 Y CA -0.342 57.808 58.100 0.083 0.000 1.039 131 Y CB 2.392 40.929 38.460 0.128 0.000 1.271 131 Y HN 0.524 nan 8.280 nan 0.000 0.467 132 S N -0.489 115.258 115.700 0.078 0.000 2.685 132 S HA 0.722 5.191 4.470 -0.001 0.000 0.282 132 S C 0.670 175.334 174.600 0.107 0.000 1.159 132 S CA -0.412 57.829 58.200 0.067 0.000 0.833 132 S CB 1.291 64.482 63.200 -0.016 0.000 1.151 132 S HN 0.857 nan 8.310 nan 0.000 0.485 133 A N 1.058 123.998 122.820 0.200 0.000 1.985 133 A HA -0.146 4.174 4.320 -0.001 0.000 0.223 133 A C 1.863 179.646 177.584 0.331 0.000 1.189 133 A CA 2.221 54.425 52.037 0.277 0.000 0.658 133 A CB -1.400 17.726 19.000 0.211 0.000 0.820 133 A HN 1.118 nan 8.150 nan 0.000 0.464 134 W N -0.592 120.821 121.300 0.189 0.000 2.825 134 W HA 0.060 4.719 4.660 -0.001 0.000 0.243 134 W C -0.361 176.209 176.519 0.083 0.000 1.293 134 W CA 0.698 58.113 57.345 0.116 0.000 1.403 134 W CB -0.702 28.789 29.460 0.053 0.000 1.134 134 W HN 0.315 nan 8.180 nan 0.000 0.666 135 D N 0.140 120.417 120.400 -0.204 0.000 2.340 135 D HA 0.117 4.756 4.640 -0.001 0.000 0.217 135 D C -0.503 175.394 176.300 -0.672 0.000 1.081 135 D CA 0.357 54.088 54.000 -0.448 0.000 0.842 135 D CB -0.261 40.132 40.800 -0.679 0.000 0.934 135 D HN 0.003 nan 8.370 nan 0.000 0.511 136 F N 0.170 120.086 119.950 -0.056 0.000 2.556 136 F HA 0.313 4.840 4.527 -0.001 0.000 0.327 136 F C 1.415 177.231 175.800 0.026 0.000 1.059 136 F CA -1.057 56.921 58.000 -0.036 0.000 0.953 136 F CB 0.920 39.904 39.000 -0.025 0.000 1.227 136 F HN -0.378 nan 8.300 nan 0.000 0.478 137 N N 0.861 119.688 118.700 0.211 0.000 2.383 137 N HA -0.058 4.681 4.740 -0.001 0.000 0.192 137 N C 0.920 176.518 175.510 0.147 0.000 1.141 137 N CA 0.359 53.504 53.050 0.159 0.000 0.851 137 N CB -0.283 38.289 38.487 0.142 0.000 0.976 137 N HN 0.569 nan 8.380 nan 0.000 0.465 138 D N 0.522 121.016 120.400 0.156 0.000 2.154 138 D HA -0.169 4.470 4.640 -0.001 0.000 0.190 138 D C 1.701 178.053 176.300 0.087 0.000 1.003 138 D CA 1.444 55.505 54.000 0.103 0.000 0.849 138 D CB -0.345 40.506 40.800 0.086 0.000 0.942 138 D HN 0.337 nan 8.370 nan 0.000 0.446 139 G N 0.120 108.978 108.800 0.096 0.000 2.679 139 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.212 139 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.212 139 G C 1.536 176.483 174.900 0.077 0.000 1.137 139 G CA 0.235 45.382 45.100 0.078 0.000 0.787 139 G HN 0.226 nan 8.290 nan 0.000 0.534 140 K N -0.616 119.841 120.400 0.095 0.000 2.202 140 K HA 0.069 4.388 4.320 -0.001 0.000 0.201 140 K C 0.963 177.627 176.600 0.105 0.000 1.051 140 K CA -0.175 56.176 56.287 0.105 0.000 0.977 140 K CB -0.037 32.544 32.500 0.136 0.000 0.792 140 K HN 0.222 nan 8.250 nan 0.000 0.469 141 c N 2.483 121.141 118.600 0.097 0.000 2.648 141 c HA 0.147 4.716 4.570 -0.001 0.000 0.419 141 c C 0.872 174.997 174.090 0.057 0.000 1.352 141 c CA -0.115 56.263 56.329 0.082 0.000 1.816 141 c CB -0.129 42.419 42.510 0.063 0.000 2.598 141 c HN 0.324 nan 8.230 nan 0.000 0.598 142 K N 2.770 123.201 120.400 0.052 0.000 2.387 142 K HA 0.134 4.453 4.320 -0.001 0.000 0.198 142 K C 1.004 177.615 176.600 0.018 0.000 1.022 142 K CA 0.169 56.474 56.287 0.029 0.000 1.128 142 K CB 0.134 32.644 32.500 0.018 0.000 0.853 142 K HN 0.929 nan 8.250 nan 0.000 0.523 143 T N -3.497 111.067 114.554 0.017 0.000 2.918 143 T HA 0.526 4.875 4.350 -0.001 0.000 0.283 143 T C 1.393 176.095 174.700 0.003 0.000 1.001 143 T CA -0.408 61.696 62.100 0.006 0.000 1.041 143 T CB 1.929 70.796 68.868 -0.002 0.000 1.028 143 T HN -0.021 nan 8.240 nan 0.000 0.511 144 A N 1.963 124.783 122.820 -0.001 0.000 1.877 144 A HA -0.037 4.283 4.320 -0.001 0.000 0.216 144 A C 2.588 180.169 177.584 -0.006 0.000 1.186 144 A CA 2.012 54.047 52.037 -0.002 0.000 0.620 144 A CB -1.415 17.583 19.000 -0.003 0.000 0.822 144 A HN 1.183 nan 8.150 nan 0.000 0.443 145 S N -1.876 113.818 115.700 -0.010 0.000 2.428 145 S HA 0.286 4.755 4.470 -0.001 0.000 0.230 145 S C 1.633 176.223 174.600 -0.017 0.000 1.014 145 S CA 1.330 59.520 58.200 -0.016 0.000 0.957 145 S CB -0.518 62.670 63.200 -0.021 0.000 0.784 145 S HN 2.001 nan 8.310 nan 0.000 0.499 146 G N 0.261 109.054 108.800 -0.012 0.000 2.157 146 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.248 146 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.248 146 G C 0.288 175.177 174.900 -0.019 0.000 0.979 146 G CA -0.007 45.088 45.100 -0.008 0.000 0.650 146 G HN 1.139 nan 8.290 nan 0.000 0.529 147 G N -0.968 107.814 108.800 -0.031 0.000 2.735 147 G HA2 0.668 4.627 3.960 -0.001 0.000 0.301 147 G HA3 0.668 4.627 3.960 -0.001 0.000 0.301 147 G C -0.076 174.788 174.900 -0.061 0.000 1.279 147 G CA -1.105 43.965 45.100 -0.050 0.000 1.019 147 G HN 0.610 nan 8.290 nan 0.000 0.497 148 I N 0.982 121.495 120.570 -0.095 0.000 2.406 148 I HA 0.099 4.268 4.170 -0.001 0.000 0.293 148 I C 0.875 176.926 176.117 -0.111 0.000 1.101 148 I CA 0.235 61.445 61.300 -0.150 0.000 1.334 148 I CB 0.933 38.765 38.000 -0.280 0.000 1.421 148 I HN 0.667 nan 8.210 nan 0.000 0.513 149 E N 2.863 123.017 120.200 -0.076 0.000 2.276 149 E HA 0.029 4.378 4.350 -0.001 0.000 0.193 149 E C 0.470 177.065 176.600 -0.008 0.000 0.983 149 E CA 0.252 56.635 56.400 -0.029 0.000 0.861 149 E CB 0.519 30.210 29.700 -0.015 0.000 0.817 149 E HN 0.526 nan 8.360 nan 0.000 0.485 150 S N -0.892 114.783 115.700 -0.040 0.000 2.614 150 S HA 0.227 4.696 4.470 -0.001 0.000 0.275 150 S C -0.769 173.813 174.600 -0.030 0.000 1.161 150 S CA -0.664 57.545 58.200 0.016 0.000 0.969 150 S CB 0.516 63.733 63.200 0.027 0.000 1.059 150 S HN 0.114 nan 8.310 nan 0.000 0.482 151 Y N 3.486 123.786 120.300 0.001 0.000 2.502 151 Y HA 0.232 4.781 4.550 -0.001 0.000 0.295 151 Y C 1.574 177.465 175.900 -0.016 0.000 1.193 151 Y CA 0.453 58.545 58.100 -0.014 0.000 1.295 151 Y CB -0.058 38.390 38.460 -0.021 0.000 1.059 151 Y HN 0.688 nan 8.280 nan 0.000 0.514 152 N N -0.694 118.069 118.700 0.106 0.000 2.280 152 N HA -0.051 4.688 4.740 -0.001 0.000 0.192 152 N C -0.431 175.112 175.510 0.056 0.000 1.109 152 N CA 0.071 53.165 53.050 0.072 0.000 0.855 152 N CB 0.405 38.930 38.487 0.063 0.000 0.974 152 N HN 0.039 nan 8.380 nan 0.000 0.482 153 D N 0.567 120.991 120.400 0.040 0.000 2.472 153 D HA 0.143 4.782 4.640 -0.001 0.000 0.234 153 D C -1.718 174.596 176.300 0.024 0.000 1.088 153 D CA -2.551 51.490 54.000 0.070 0.000 0.882 153 D CB 1.330 42.175 40.800 0.074 0.000 1.037 153 D HN -0.002 nan 8.370 nan 0.000 0.520 154 P HA -0.199 nan 4.420 nan 0.000 0.218 154 P C 0.944 178.048 177.300 -0.327 0.000 1.146 154 P CA 1.045 64.031 63.100 -0.191 0.000 0.813 154 P CB 0.189 31.776 31.700 -0.187 0.000 0.778 155 Y N 0.563 120.869 120.300 0.010 0.000 2.184 155 Y HA -0.116 4.434 4.550 -0.001 0.000 0.290 155 Y C 3.041 178.940 175.900 -0.002 0.000 1.129 155 Y CA 1.389 59.550 58.100 0.103 0.000 1.144 155 Y CB -1.082 37.490 38.460 0.186 0.000 0.995 155 Y HN -0.023 nan 8.280 nan 0.000 0.513 156 Q N -0.364 119.497 119.800 0.101 0.000 2.050 156 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 156 Q C 2.364 178.308 176.000 -0.093 0.000 0.980 156 Q CA 2.045 57.850 55.803 0.003 0.000 0.840 156 Q CB -0.504 28.207 28.738 -0.046 0.000 0.898 156 Q HN 0.315 nan 8.270 nan 0.000 0.424 157 V N 0.864 120.660 119.914 -0.195 0.000 2.324 157 V HA -0.311 3.809 4.120 -0.001 0.000 0.250 157 V C 2.119 178.116 176.094 -0.161 0.000 1.060 157 V CA 2.094 64.244 62.300 -0.249 0.000 1.042 157 V CB -0.457 31.156 31.823 -0.350 0.000 0.650 157 V HN 0.221 nan 8.190 nan 0.000 0.450 158 R N 0.064 120.371 120.500 -0.323 0.000 2.066 158 R HA 0.008 4.347 4.340 -0.001 0.000 0.224 158 R C 1.941 178.186 176.300 -0.091 0.000 1.122 158 R CA 1.257 57.119 56.100 -0.398 0.000 0.974 158 R CB -0.502 29.087 30.300 -1.184 0.000 0.871 158 R HN 0.516 nan 8.270 nan 0.000 0.435 159 D N -0.879 119.544 120.400 0.038 0.000 2.305 159 D HA 0.034 4.674 4.640 -0.001 0.000 0.206 159 D C 0.296 176.652 176.300 0.092 0.000 0.974 159 D CA 0.424 54.510 54.000 0.143 0.000 0.871 159 D CB 0.096 41.041 40.800 0.242 0.000 0.947 159 D HN 0.113 nan 8.370 nan 0.000 0.516 160 c N 0.847 119.473 118.600 0.044 0.000 2.328 160 c HA 0.347 4.916 4.570 -0.001 0.000 0.378 160 c C 0.615 174.700 174.090 -0.008 0.000 1.249 160 c CA -0.900 55.440 56.329 0.018 0.000 2.204 160 c CB 0.975 43.480 42.510 -0.008 0.000 2.218 160 c HN 0.160 nan 8.230 nan 0.000 0.564 161 Q N 0.891 120.674 119.800 -0.029 0.000 2.296 161 Q HA 0.340 4.679 4.340 -0.001 0.000 0.262 161 Q C -0.671 175.250 176.000 -0.131 0.000 0.981 161 Q CA -0.247 55.516 55.803 -0.066 0.000 0.905 161 Q CB 0.680 29.383 28.738 -0.059 0.000 1.186 161 Q HN 0.454 nan 8.270 nan 0.000 0.399 162 L N 4.625 125.722 121.223 -0.210 0.000 2.278 162 L HA 0.095 4.435 4.340 -0.001 0.000 0.287 162 L C 0.292 177.004 176.870 -0.263 0.000 1.072 162 L CA 0.002 54.658 54.840 -0.307 0.000 0.819 162 L CB 0.851 42.584 42.059 -0.544 0.000 1.176 162 L HN 0.613 nan 8.230 nan 0.000 0.435 163 V N 3.016 122.812 119.914 -0.197 0.000 4.614 163 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 163 V C 1.103 177.086 176.094 -0.185 0.000 0.564 163 V CA 1.109 63.296 62.300 -0.188 0.000 0.790 163 V CB -2.761 28.928 31.823 -0.224 0.000 0.747 163 V HN 2.257 nan 8.190 nan 0.000 1.119 164 G N -0.825 107.886 108.800 -0.149 0.000 2.148 164 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.254 164 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.254 164 G C -0.008 174.821 174.900 -0.119 0.000 0.981 164 G CA 0.276 45.304 45.100 -0.120 0.000 0.670 164 G HN 1.403 nan 8.290 nan 0.000 0.528 165 L N 0.633 121.755 121.223 -0.168 0.000 2.331 165 L HA 0.413 4.753 4.340 -0.001 0.000 0.278 165 L C 1.328 178.170 176.870 -0.047 0.000 1.106 165 L CA -0.871 53.874 54.840 -0.157 0.000 0.824 165 L CB 0.981 42.784 42.059 -0.427 0.000 1.142 165 L HN 0.050 nan 8.230 nan 0.000 0.443 166 L N 3.237 124.472 121.223 0.020 0.000 2.654 166 L HA -0.051 4.288 4.340 -0.001 0.000 0.271 166 L C 0.171 177.196 176.870 0.259 0.000 1.169 166 L CA 0.197 55.078 54.840 0.068 0.000 0.947 166 L CB -0.122 41.891 42.059 -0.076 0.000 1.232 166 L HN 0.569 nan 8.230 nan 0.000 0.486 167 D N 3.991 124.541 120.400 0.249 0.000 2.325 167 D HA 0.275 4.914 4.640 -0.001 0.000 0.251 167 D C -0.176 176.236 176.300 0.188 0.000 1.196 167 D CA -0.215 53.912 54.000 0.211 0.000 0.866 167 D CB 0.713 41.592 40.800 0.131 0.000 1.101 167 D HN 0.258 nan 8.370 nan 0.000 0.476 168 L N 2.558 123.760 121.223 -0.036 0.000 2.426 168 L HA 0.293 4.633 4.340 -0.001 0.000 0.271 168 L C 0.666 177.421 176.870 -0.192 0.000 1.169 168 L CA -0.743 53.871 54.840 -0.376 0.000 0.836 168 L CB 0.896 42.682 42.059 -0.455 0.000 1.112 168 L HN 0.479 nan 8.230 nan 0.000 0.465 169 A N 4.337 127.012 122.820 -0.243 0.000 2.915 169 A HA 0.263 4.582 4.320 -0.001 0.000 0.292 169 A C 0.877 178.444 177.584 -0.027 0.000 1.632 169 A CA -0.324 51.678 52.037 -0.058 0.000 1.337 169 A CB -0.367 18.621 19.000 -0.021 0.000 1.111 169 A HN 0.785 nan 8.150 nan 0.000 0.569 170 L N 1.014 122.247 121.223 0.018 0.000 2.549 170 L HA -0.091 4.249 4.340 -0.001 0.000 0.229 170 L C 2.558 179.468 176.870 0.067 0.000 1.158 170 L CA 1.270 56.133 54.840 0.039 0.000 0.842 170 L CB 0.009 42.105 42.059 0.063 0.000 0.952 170 L HN 0.815 nan 8.230 nan 0.000 0.452 171 E N 0.377 120.625 120.200 0.079 0.000 2.435 171 E HA -0.091 4.259 4.350 -0.001 0.000 0.195 171 E C 0.104 176.740 176.600 0.060 0.000 1.029 171 E CA 0.292 56.727 56.400 0.058 0.000 0.865 171 E CB -0.047 29.673 29.700 0.034 0.000 0.833 171 E HN 0.334 nan 8.360 nan 0.000 0.510 172 K N 1.478 121.926 120.400 0.080 0.000 2.234 172 K HA 0.086 4.405 4.320 -0.001 0.000 0.282 172 K C -0.018 176.655 176.600 0.121 0.000 1.039 172 K CA -0.063 56.296 56.287 0.120 0.000 0.928 172 K CB 1.252 33.856 32.500 0.173 0.000 1.039 172 K HN -0.145 nan 8.250 nan 0.000 0.470 173 D N 1.640 122.115 120.400 0.125 0.000 2.218 173 D HA -0.216 4.423 4.640 -0.001 0.000 0.204 173 D C 1.428 177.802 176.300 0.123 0.000 0.976 173 D CA 1.276 55.337 54.000 0.102 0.000 0.853 173 D CB 0.072 40.927 40.800 0.092 0.000 0.939 173 D HN 0.611 nan 8.370 nan 0.000 0.481 174 Y N 0.201 120.565 120.300 0.107 0.000 2.145 174 Y HA -0.198 4.352 4.550 -0.001 0.000 0.286 174 Y C 2.079 178.037 175.900 0.096 0.000 1.145 174 Y CA 1.410 59.583 58.100 0.123 0.000 1.148 174 Y CB -0.485 38.102 38.460 0.212 0.000 0.981 174 Y HN -0.106 nan 8.280 nan 0.000 0.507 175 V N 1.509 121.507 119.914 0.140 0.000 2.295 175 V HA -0.317 3.802 4.120 -0.001 0.000 0.246 175 V C 2.422 178.506 176.094 -0.017 0.000 1.049 175 V CA 2.327 64.676 62.300 0.082 0.000 1.024 175 V CB -0.647 31.188 31.823 0.020 0.000 0.648 175 V HN 0.392 nan 8.190 nan 0.000 0.447 176 R N 0.161 120.651 120.500 -0.017 0.000 2.105 176 R HA -0.136 4.204 4.340 -0.001 0.000 0.239 176 R C 2.440 178.684 176.300 -0.094 0.000 1.135 176 R CA 1.764 57.838 56.100 -0.044 0.000 0.967 176 R CB -0.685 29.606 30.300 -0.015 0.000 0.861 176 R HN 0.479 nan 8.270 nan 0.000 0.442 177 S N 0.559 116.188 115.700 -0.117 0.000 2.387 177 S HA -0.012 4.457 4.470 -0.001 0.000 0.226 177 S C 1.978 176.445 174.600 -0.221 0.000 1.026 177 S CA 0.870 58.978 58.200 -0.153 0.000 0.972 177 S CB 0.012 63.133 63.200 -0.131 0.000 0.814 177 S HN 0.159 nan 8.310 nan 0.000 0.477 178 M N 1.121 120.542 119.600 -0.299 0.000 2.132 178 M HA 0.050 4.529 4.480 -0.001 0.000 0.263 178 M C 2.032 178.153 176.300 -0.297 0.000 1.065 178 M CA 1.270 56.384 55.300 -0.310 0.000 1.122 178 M CB -1.299 31.084 32.600 -0.361 0.000 1.365 178 M HN 0.291 nan 8.290 nan 0.000 0.411 179 I N 0.097 120.522 120.570 -0.242 0.000 2.142 179 I HA -0.247 3.922 4.170 -0.001 0.000 0.240 179 I C 2.533 178.474 176.117 -0.292 0.000 1.078 179 I CA 1.302 62.420 61.300 -0.304 0.000 1.343 179 I CB -0.614 37.282 38.000 -0.173 0.000 1.046 179 I HN 0.208 nan 8.210 nan 0.000 0.405 180 A N 0.234 122.914 122.820 -0.234 0.000 2.019 180 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 180 A C 1.864 179.296 177.584 -0.254 0.000 1.164 180 A CA 1.941 53.834 52.037 -0.239 0.000 0.644 180 A CB -0.552 18.348 19.000 -0.167 0.000 0.805 180 A HN 0.352 nan 8.150 nan 0.000 0.449 181 D N -1.598 118.670 120.400 -0.220 0.000 2.117 181 D HA -0.146 4.493 4.640 -0.001 0.000 0.197 181 D C 1.660 177.853 176.300 -0.178 0.000 0.987 181 D CA 1.546 55.435 54.000 -0.186 0.000 0.829 181 D CB -0.434 40.279 40.800 -0.145 0.000 0.961 181 D HN 0.600 nan 8.370 nan 0.000 0.460 182 Y N 1.600 121.674 120.300 -0.376 0.000 2.114 182 Y HA -0.135 4.414 4.550 -0.001 0.000 0.284 182 Y C 2.052 177.766 175.900 -0.310 0.000 1.143 182 Y CA 1.313 59.182 58.100 -0.386 0.000 1.135 182 Y CB -0.697 37.323 38.460 -0.733 0.000 0.980 182 Y HN -0.082 nan 8.280 nan 0.000 0.499 183 L N 0.309 121.117 121.223 -0.691 0.000 2.046 183 L HA -0.261 4.079 4.340 -0.001 0.000 0.208 183 L C 2.261 178.918 176.870 -0.355 0.000 1.077 183 L CA 1.549 55.938 54.840 -0.752 0.000 0.747 183 L CB -0.802 40.748 42.059 -0.848 0.000 0.896 183 L HN 0.252 nan 8.230 nan 0.000 0.432 184 N N 0.363 118.855 118.700 -0.347 0.000 2.223 184 N HA -0.200 4.540 4.740 -0.001 0.000 0.185 184 N C 1.781 177.137 175.510 -0.257 0.000 1.016 184 N CA 1.124 53.934 53.050 -0.401 0.000 0.863 184 N CB -0.138 37.944 38.487 -0.675 0.000 0.983 184 N HN 0.345 nan 8.380 nan 0.000 0.429 185 K N 0.946 121.235 120.400 -0.185 0.000 2.057 185 K HA -0.037 4.283 4.320 -0.001 0.000 0.207 185 K C 1.975 178.563 176.600 -0.019 0.000 1.049 185 K CA 0.699 56.943 56.287 -0.070 0.000 0.931 185 K CB -0.025 32.453 32.500 -0.036 0.000 0.714 185 K HN 0.100 nan 8.250 nan 0.000 0.440 186 L N 0.800 121.986 121.223 -0.062 0.000 2.027 186 L HA -0.172 4.168 4.340 -0.001 0.000 0.206 186 L C 2.463 179.374 176.870 0.070 0.000 1.074 186 L CA 1.062 55.926 54.840 0.039 0.000 0.745 186 L CB -0.423 41.654 42.059 0.031 0.000 0.898 186 L HN 0.194 nan 8.230 nan 0.000 0.433 187 I N 0.125 120.732 120.570 0.062 0.000 2.127 187 I HA -0.330 3.839 4.170 -0.001 0.000 0.241 187 I C 2.085 178.254 176.117 0.087 0.000 1.075 187 I CA 1.423 62.746 61.300 0.039 0.000 1.334 187 I CB -0.458 37.574 38.000 0.054 0.000 1.040 187 I HN 0.275 nan 8.210 nan 0.000 0.405 188 D N 0.774 121.240 120.400 0.110 0.000 2.218 188 D HA -0.121 4.519 4.640 -0.001 0.000 0.204 188 D C 2.180 178.583 176.300 0.172 0.000 0.976 188 D CA 1.164 55.260 54.000 0.160 0.000 0.853 188 D CB -0.167 40.730 40.800 0.162 0.000 0.939 188 D HN 0.374 nan 8.370 nan 0.000 0.481 189 I N -0.594 120.065 120.570 0.148 0.000 2.394 189 I HA -0.077 4.092 4.170 -0.001 0.000 0.251 189 I C 1.676 177.905 176.117 0.186 0.000 1.136 189 I CA 1.246 62.644 61.300 0.163 0.000 1.425 189 I CB 0.112 38.213 38.000 0.169 0.000 1.079 189 I HN 0.177 nan 8.210 nan 0.000 0.425 190 G N -0.102 108.789 108.800 0.152 0.000 2.370 190 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.174 190 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.174 190 G C 0.153 175.028 174.900 -0.042 0.000 1.002 190 G CA -0.438 44.748 45.100 0.144 0.000 0.730 190 G HN 0.026 nan 8.290 nan 0.000 0.497 191 V N 1.283 121.127 119.914 -0.117 0.000 2.763 191 V HA 0.420 4.540 4.120 -0.001 0.000 0.306 191 V C 1.695 177.560 176.094 -0.382 0.000 1.059 191 V CA 1.215 63.349 62.300 -0.276 0.000 1.138 191 V CB 1.494 33.163 31.823 -0.257 0.000 0.940 191 V HN 0.801 nan 8.190 nan 0.000 0.489 192 A N 3.123 125.638 122.820 -0.509 0.000 2.169 192 A HA 0.646 4.966 4.320 -0.001 0.000 0.210 192 A C 0.930 178.271 177.584 -0.405 0.000 1.168 192 A CA 0.853 52.570 52.037 -0.533 0.000 0.813 192 A CB 0.024 18.786 19.000 -0.396 0.000 0.861 192 A HN 1.301 nan 8.150 nan 0.000 0.481 193 G N -2.026 106.449 108.800 -0.541 0.000 2.340 193 G HA2 0.487 4.446 3.960 -0.001 0.000 0.299 193 G HA3 0.487 4.446 3.960 -0.001 0.000 0.299 193 G C -1.578 172.856 174.900 -0.777 0.000 1.291 193 G CA -0.695 44.159 45.100 -0.410 0.000 0.841 193 G HN 0.219 nan 8.290 nan 0.000 0.500 194 F N -0.643 119.296 119.950 -0.018 0.000 2.613 194 F HA 0.709 5.236 4.527 -0.001 0.000 0.310 194 F C 0.188 175.560 175.800 -0.714 0.000 1.085 194 F CA -0.889 56.974 58.000 -0.228 0.000 0.945 194 F CB 2.481 41.352 39.000 -0.215 0.000 1.298 194 F HN 0.477 nan 8.300 nan 0.000 0.455 195 R N 2.833 122.987 120.500 -0.576 0.000 2.207 195 R HA 0.507 4.846 4.340 -0.001 0.000 0.334 195 R C -1.195 174.905 176.300 -0.333 0.000 1.013 195 R CA -0.514 55.002 56.100 -0.973 0.000 0.858 195 R CB 0.479 30.408 30.300 -0.618 0.000 1.094 195 R HN 0.562 nan 8.270 nan 0.000 0.457 196 I N 4.318 124.725 120.570 -0.272 0.000 2.308 196 I HA 0.049 4.219 4.170 -0.001 0.000 0.293 196 I C 0.224 176.324 176.117 -0.029 0.000 1.078 196 I CA -0.425 60.808 61.300 -0.111 0.000 1.292 196 I CB 0.339 38.284 38.000 -0.091 0.000 1.423 196 I HN 0.650 nan 8.210 nan 0.000 0.493 197 D N 5.792 126.221 120.400 0.047 0.000 2.424 197 D HA 0.317 4.957 4.640 -0.001 0.000 0.244 197 D C 0.908 177.292 176.300 0.140 0.000 1.134 197 D CA 0.337 54.426 54.000 0.148 0.000 0.881 197 D CB 0.796 41.758 40.800 0.270 0.000 1.191 197 D HN 0.777 nan 8.370 nan 0.000 0.445 198 A N 2.981 125.904 122.820 0.172 0.000 2.687 198 A HA -0.234 4.086 4.320 -0.001 0.000 0.299 198 A C 1.819 179.485 177.584 0.136 0.000 1.497 198 A CA 1.131 53.306 52.037 0.230 0.000 0.751 198 A CB -2.071 17.117 19.000 0.312 0.000 1.048 198 A HN 0.468 nan 8.150 nan 0.000 0.464 199 S N -0.547 115.145 115.700 -0.014 0.000 2.399 199 S HA -0.179 4.290 4.470 -0.001 0.000 0.231 199 S C 1.789 176.234 174.600 -0.258 0.000 1.022 199 S CA 1.675 59.791 58.200 -0.140 0.000 0.983 199 S CB -0.155 62.875 63.200 -0.284 0.000 0.803 199 S HN 0.895 nan 8.310 nan 0.000 0.480 200 K N 0.833 121.026 120.400 -0.344 0.000 2.281 200 K HA -0.127 4.193 4.320 -0.001 0.000 0.203 200 K C 1.054 177.406 176.600 -0.413 0.000 1.046 200 K CA 1.153 57.211 56.287 -0.381 0.000 0.938 200 K CB -0.093 32.167 32.500 -0.400 0.000 0.737 200 K HN 0.453 nan 8.250 nan 0.000 0.458 201 H N -0.414 118.621 119.070 -0.059 0.000 2.538 201 H HA 0.199 4.755 4.556 -0.001 0.000 0.286 201 H C -0.182 175.079 175.328 -0.111 0.000 1.035 201 H CA 0.374 56.371 56.048 -0.086 0.000 1.169 201 H CB -0.024 29.727 29.762 -0.020 0.000 1.417 201 H HN 0.190 nan 8.280 nan 0.000 0.567 202 M N -0.467 119.105 119.600 -0.047 0.000 2.550 202 M HA 0.193 4.673 4.480 -0.001 0.000 0.292 202 M C -1.236 175.050 176.300 -0.024 0.000 1.221 202 M CA -0.832 54.458 55.300 -0.018 0.000 0.873 202 M CB 2.566 35.224 32.600 0.096 0.000 1.727 202 M HN -0.002 nan 8.290 nan 0.000 0.459 203 W N 2.027 123.358 121.300 0.051 0.000 2.216 203 W HA 0.259 4.919 4.660 -0.001 0.000 0.326 203 W C -1.812 174.685 176.519 -0.037 0.000 1.319 203 W CA -0.952 56.376 57.345 -0.028 0.000 1.213 203 W CB -0.267 29.160 29.460 -0.055 0.000 1.171 203 W HN 0.473 nan 8.180 nan 0.000 0.557 204 P HA -0.236 nan 4.420 nan 0.000 0.217 204 P C 1.738 179.056 177.300 0.030 0.000 1.151 204 P CA 2.581 65.605 63.100 -0.128 0.000 0.849 204 P CB 0.084 31.540 31.700 -0.407 0.000 0.787 205 G N -0.585 108.250 108.800 0.058 0.000 2.408 205 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 205 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 205 G C 1.191 176.128 174.900 0.062 0.000 1.150 205 G CA 0.808 45.934 45.100 0.043 0.000 0.776 205 G HN 0.190 nan 8.290 nan 0.000 0.542 206 D N 0.592 121.061 120.400 0.116 0.000 2.144 206 D HA -0.034 4.605 4.640 -0.001 0.000 0.200 206 D C 2.560 178.902 176.300 0.071 0.000 0.978 206 D CA 0.326 54.386 54.000 0.100 0.000 0.833 206 D CB -0.126 40.769 40.800 0.158 0.000 0.961 206 D HN 0.359 nan 8.370 nan 0.000 0.470 207 I N 0.615 121.239 120.570 0.090 0.000 2.179 207 I HA -0.272 3.898 4.170 -0.001 0.000 0.242 207 I C 2.321 178.458 176.117 0.034 0.000 1.088 207 I CA 0.915 62.253 61.300 0.064 0.000 1.357 207 I CB -0.158 37.911 38.000 0.116 0.000 1.051 207 I HN -0.079 nan 8.210 nan 0.000 0.409 208 K N 1.804 122.230 120.400 0.044 0.000 2.032 208 K HA -0.173 4.146 4.320 -0.001 0.000 0.209 208 K C 2.058 178.665 176.600 0.012 0.000 1.048 208 K CA 2.003 58.306 56.287 0.027 0.000 0.927 208 K CB -0.632 31.886 32.500 0.030 0.000 0.712 208 K HN 0.288 nan 8.250 nan 0.000 0.441 209 A N -0.012 122.817 122.820 0.014 0.000 1.908 209 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 209 A C 2.387 179.965 177.584 -0.010 0.000 1.181 209 A CA 2.038 54.078 52.037 0.005 0.000 0.627 209 A CB -0.810 18.197 19.000 0.011 0.000 0.818 209 A HN 0.144 nan 8.150 nan 0.000 0.445 210 V N 0.100 120.002 119.914 -0.020 0.000 2.307 210 V HA -0.233 3.886 4.120 -0.001 0.000 0.245 210 V C 2.546 178.602 176.094 -0.064 0.000 1.045 210 V CA 1.889 64.156 62.300 -0.055 0.000 1.024 210 V CB -0.738 31.039 31.823 -0.076 0.000 0.651 210 V HN 0.586 nan 8.190 nan 0.000 0.449 211 L N -0.145 121.049 121.223 -0.048 0.000 2.127 211 L HA -0.195 4.144 4.340 -0.001 0.000 0.211 211 L C 2.201 179.058 176.870 -0.022 0.000 1.089 211 L CA 1.402 56.218 54.840 -0.041 0.000 0.757 211 L CB -0.807 41.236 42.059 -0.026 0.000 0.899 211 L HN 0.343 nan 8.230 nan 0.000 0.434 212 D N 0.345 120.737 120.400 -0.012 0.000 2.310 212 D HA -0.126 4.513 4.640 -0.001 0.000 0.212 212 D C 1.858 178.160 176.300 0.003 0.000 0.965 212 D CA 1.040 55.039 54.000 -0.001 0.000 0.879 212 D CB 0.029 40.831 40.800 0.003 0.000 0.921 212 D HN 0.334 nan 8.370 nan 0.000 0.510 213 K N -0.185 120.209 120.400 -0.010 0.000 2.404 213 K HA 0.151 4.471 4.320 -0.001 0.000 0.194 213 K C 0.584 177.191 176.600 0.011 0.000 1.023 213 K CA -0.079 56.206 56.287 -0.003 0.000 1.094 213 K CB 0.615 33.095 32.500 -0.033 0.000 0.841 213 K HN 0.089 nan 8.250 nan 0.000 0.523 214 L N 1.503 122.728 121.223 0.003 0.000 2.397 214 L HA 0.123 4.462 4.340 -0.001 0.000 0.271 214 L C 0.650 177.599 176.870 0.132 0.000 1.148 214 L CA -0.265 54.586 54.840 0.019 0.000 0.825 214 L CB 0.351 42.415 42.059 0.009 0.000 1.117 214 L HN 0.219 nan 8.230 nan 0.000 0.456 215 H N 1.509 120.571 119.070 -0.013 0.000 2.679 215 H HA 0.103 4.659 4.556 -0.001 0.000 0.369 215 H C -0.156 175.161 175.328 -0.019 0.000 1.178 215 H CA -0.952 55.090 56.048 -0.011 0.000 1.419 215 H CB 0.803 30.563 29.762 -0.005 0.000 1.458 215 H HN 0.530 nan 8.280 nan 0.000 0.605 216 N N 1.040 119.785 118.700 0.076 0.000 2.444 216 N HA 0.067 4.806 4.740 -0.001 0.000 0.255 216 N C -0.106 175.410 175.510 0.011 0.000 1.255 216 N CA -0.271 52.788 53.050 0.015 0.000 0.933 216 N CB 0.654 39.139 38.487 -0.004 0.000 1.143 216 N HN 0.319 nan 8.380 nan 0.000 0.453 217 L N 1.113 122.293 121.223 -0.072 0.000 2.467 217 L HA 0.059 4.398 4.340 -0.001 0.000 0.270 217 L C 1.233 178.154 176.870 0.085 0.000 1.205 217 L CA -0.373 54.380 54.840 -0.145 0.000 0.828 217 L CB 0.112 41.789 42.059 -0.638 0.000 1.101 217 L HN 0.465 nan 8.230 nan 0.000 0.479 218 N N 1.413 120.253 118.700 0.235 0.000 2.417 218 N HA -0.083 4.656 4.740 -0.001 0.000 0.272 218 N C 1.115 176.827 175.510 0.337 0.000 1.304 218 N CA 0.362 53.599 53.050 0.313 0.000 0.906 218 N CB 0.935 39.684 38.487 0.436 0.000 1.135 218 N HN 0.711 nan 8.380 nan 0.000 0.483 219 T N 0.735 115.370 114.554 0.135 0.000 3.052 219 T HA -0.111 4.239 4.350 -0.001 0.000 0.270 219 T C 1.247 175.902 174.700 -0.076 0.000 1.147 219 T CA 1.108 63.245 62.100 0.063 0.000 1.089 219 T CB -0.324 68.550 68.868 0.010 0.000 0.875 219 T HN 0.530 nan 8.240 nan 0.000 0.541 220 N N -0.287 118.267 118.700 -0.244 0.000 2.309 220 N HA 0.008 4.748 4.740 -0.001 0.000 0.182 220 N C 1.036 176.123 175.510 -0.706 0.000 1.018 220 N CA 1.106 53.778 53.050 -0.630 0.000 0.876 220 N CB 0.009 37.784 38.487 -1.187 0.000 0.972 220 N HN 0.553 nan 8.380 nan 0.000 0.434 221 W N -1.124 120.094 121.300 -0.137 0.000 2.782 221 W HA 0.308 4.968 4.660 0.000 0.000 0.268 221 W C -0.423 175.768 176.519 -0.547 0.000 1.043 221 W CA -0.255 56.845 57.345 -0.409 0.000 1.387 221 W CB 0.163 29.217 29.460 -0.677 0.000 0.904 221 W HN -0.151 nan 8.180 nan 0.000 0.625 222 F N 0.966 121.017 119.950 0.169 0.000 2.538 222 F HA 0.512 5.038 4.527 -0.001 0.000 0.325 222 F C -2.074 173.749 175.800 0.038 0.000 1.066 222 F CA -2.716 55.337 58.000 0.089 0.000 0.946 222 F CB 0.153 39.201 39.000 0.080 0.000 1.199 222 F HN -0.483 nan 8.300 nan 0.000 0.473 223 P HA 0.189 nan 4.420 nan 0.000 0.272 223 P C -0.874 176.486 177.300 0.099 0.000 1.223 223 P CA -0.345 62.821 63.100 0.110 0.000 0.784 223 P CB 0.495 32.245 31.700 0.085 0.000 0.923 224 A N 1.957 124.811 122.820 0.055 0.000 2.483 224 A HA 0.425 4.744 4.320 -0.001 0.000 0.238 224 A C 1.472 179.075 177.584 0.031 0.000 1.070 224 A CA 0.665 52.724 52.037 0.037 0.000 0.770 224 A CB -1.376 17.633 19.000 0.016 0.000 1.008 224 A HN 0.884 nan 8.150 nan 0.000 0.497 225 G N 1.131 109.942 108.800 0.020 0.000 2.162 225 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.260 225 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.260 225 G C 0.426 175.333 174.900 0.011 0.000 0.976 225 G CA 0.437 45.544 45.100 0.012 0.000 0.655 225 G HN 1.180 nan 8.290 nan 0.000 0.533 226 S N 1.320 117.028 115.700 0.013 0.000 2.528 226 S HA 0.521 4.990 4.470 -0.001 0.000 0.277 226 S C 0.745 175.312 174.600 -0.054 0.000 1.297 226 S CA -0.408 57.785 58.200 -0.011 0.000 1.052 226 S CB 0.907 64.106 63.200 -0.001 0.000 0.917 226 S HN 0.416 nan 8.310 nan 0.000 0.492 227 R N 3.420 123.892 120.500 -0.047 0.000 2.428 227 R HA 0.403 4.743 4.340 -0.001 0.000 0.294 227 R C -2.575 173.682 176.300 -0.071 0.000 1.000 227 R CA -2.360 53.712 56.100 -0.046 0.000 0.960 227 R CB 0.324 30.609 30.300 -0.026 0.000 1.076 227 R HN 0.407 nan 8.270 nan 0.000 0.475 228 P HA -0.011 nan 4.420 nan 0.000 0.271 228 P C -0.474 176.856 177.300 0.050 0.000 1.218 228 P CA -0.196 62.863 63.100 -0.068 0.000 0.780 228 P CB 0.396 32.072 31.700 -0.040 0.000 0.901 229 F N 3.624 123.531 119.950 -0.072 0.000 2.456 229 F HA 0.370 4.897 4.527 -0.001 0.000 0.358 229 F C -0.382 175.458 175.800 0.068 0.000 1.095 229 F CA -0.649 57.348 58.000 -0.006 0.000 1.216 229 F CB 0.020 39.058 39.000 0.063 0.000 1.125 229 F HN 0.095 nan 8.300 nan 0.000 0.549 230 I N 7.833 128.171 120.570 -0.387 0.000 2.466 230 I HA 0.335 4.505 4.170 -0.001 0.000 0.289 230 I C -1.286 174.551 176.117 -0.466 0.000 1.026 230 I CA -0.486 60.598 61.300 -0.359 0.000 1.078 230 I CB 1.525 39.433 38.000 -0.154 0.000 1.249 230 I HN 0.396 nan 8.210 nan 0.000 0.429 231 F N 3.476 123.101 119.950 -0.542 0.000 2.539 231 F HA 0.736 5.262 4.527 -0.001 0.000 0.328 231 F C -0.598 175.116 175.800 -0.143 0.000 1.148 231 F CA -1.001 56.777 58.000 -0.370 0.000 0.940 231 F CB 0.804 39.551 39.000 -0.421 0.000 1.194 231 F HN 0.354 nan 8.300 nan 0.000 0.438 232 Q N 2.383 122.195 119.800 0.020 0.000 2.256 232 Q HA 0.215 4.554 4.340 -0.001 0.000 0.254 232 Q C -0.431 175.596 176.000 0.046 0.000 0.916 232 Q CA -0.651 55.139 55.803 -0.021 0.000 0.932 232 Q CB 2.050 30.770 28.738 -0.031 0.000 1.207 232 Q HN 0.706 nan 8.270 nan 0.000 0.426 233 E N 3.058 123.283 120.200 0.042 0.000 2.070 233 E HA 0.189 4.538 4.350 -0.001 0.000 0.282 233 E C -1.382 175.250 176.600 0.053 0.000 1.104 233 E CA -0.208 56.288 56.400 0.160 0.000 0.876 233 E CB 0.525 30.336 29.700 0.185 0.000 1.055 233 E HN 0.325 nan 8.360 nan 0.000 0.401 234 V N 7.284 127.257 119.914 0.099 0.000 2.447 234 V HA 0.295 4.415 4.120 -0.001 0.000 0.292 234 V C 0.030 176.164 176.094 0.067 0.000 1.021 234 V CA -0.658 61.607 62.300 -0.059 0.000 0.850 234 V CB 1.505 33.205 31.823 -0.205 0.000 1.005 234 V HN 0.635 nan 8.190 nan 0.000 0.426 235 I N 4.350 124.844 120.570 -0.128 0.000 2.322 235 I HA 0.369 4.539 4.170 -0.001 0.000 0.292 235 I C -0.453 175.597 176.117 -0.111 0.000 1.060 235 I CA 0.346 61.479 61.300 -0.278 0.000 1.309 235 I CB 0.833 38.486 38.000 -0.579 0.000 1.415 235 I HN 0.612 nan 8.210 nan 0.000 0.492 236 D N 7.310 127.716 120.400 0.010 0.000 2.386 236 D HA 0.252 4.891 4.640 -0.001 0.000 0.247 236 D C -0.075 176.254 176.300 0.049 0.000 1.336 236 D CA -0.375 53.636 54.000 0.018 0.000 0.976 236 D CB 1.064 41.892 40.800 0.046 0.000 1.257 236 D HN 0.377 nan 8.370 nan 0.000 0.570 237 L N 2.759 123.996 121.223 0.024 0.000 2.629 237 L HA 0.487 4.827 4.340 -0.001 0.000 0.230 237 L C 1.089 177.989 176.870 0.051 0.000 1.151 237 L CA 0.212 55.082 54.840 0.050 0.000 0.924 237 L CB -0.477 41.606 42.059 0.041 0.000 1.137 237 L HN 0.679 nan 8.230 nan 0.000 0.457 238 G N -0.854 107.970 108.800 0.041 0.000 2.692 238 G HA2 0.132 4.092 3.960 -0.001 0.000 0.686 238 G HA3 0.132 4.092 3.960 -0.001 0.000 0.686 238 G C 0.400 175.313 174.900 0.021 0.000 1.243 238 G CA -0.519 44.604 45.100 0.038 0.000 0.782 238 G HN 0.512 nan 8.290 nan 0.000 0.625 239 G N -0.208 108.603 108.800 0.018 0.000 2.272 239 G HA2 0.097 4.057 3.960 -0.001 0.000 0.280 239 G HA3 0.097 4.057 3.960 -0.001 0.000 0.280 239 G C 0.146 175.053 174.900 0.012 0.000 1.067 239 G CA 1.729 46.836 45.100 0.013 0.000 0.902 239 G HN 1.317 nan 8.290 nan 0.000 0.500 240 E N -1.814 118.394 120.200 0.014 0.000 2.456 240 E HA 0.737 5.086 4.350 -0.001 0.000 0.276 240 E C 1.351 177.967 176.600 0.026 0.000 0.981 240 E CA -0.328 56.084 56.400 0.021 0.000 0.814 240 E CB 1.138 30.844 29.700 0.010 0.000 1.382 240 E HN 0.487 nan 8.360 nan 0.000 0.459 241 A N 1.482 124.324 122.820 0.037 0.000 1.858 241 A HA 0.023 4.342 4.320 -0.001 0.000 0.216 241 A C 0.947 178.538 177.584 0.011 0.000 1.190 241 A CA 0.963 53.016 52.037 0.027 0.000 0.617 241 A CB -0.412 18.607 19.000 0.032 0.000 0.827 241 A HN 0.493 nan 8.150 nan 0.000 0.443 242 I N 0.831 121.407 120.570 0.009 0.000 2.428 242 I HA 0.223 4.392 4.170 -0.001 0.000 0.289 242 I C -0.283 175.848 176.117 0.025 0.000 1.019 242 I CA -0.134 61.170 61.300 0.007 0.000 1.351 242 I CB 1.568 39.567 38.000 -0.001 0.000 1.412 242 I HN 0.071 nan 8.210 nan 0.000 0.513 243 S N 3.031 118.745 115.700 0.023 0.000 2.532 243 S HA 0.231 4.700 4.470 -0.001 0.000 0.301 243 S C 0.900 175.521 174.600 0.036 0.000 1.083 243 S CA -0.684 57.522 58.200 0.010 0.000 1.025 243 S CB 1.987 65.167 63.200 -0.035 0.000 1.056 243 S HN 0.661 nan 8.310 nan 0.000 0.494 244 S N 2.161 117.877 115.700 0.027 0.000 2.383 244 S HA -0.148 4.321 4.470 -0.001 0.000 0.229 244 S C 2.188 176.646 174.600 -0.236 0.000 1.030 244 S CA 1.695 59.930 58.200 0.059 0.000 1.002 244 S CB -0.403 62.888 63.200 0.151 0.000 0.829 244 S HN 0.889 nan 8.310 nan 0.000 0.467 245 S N 1.877 117.192 115.700 -0.641 0.000 2.440 245 S HA -0.149 4.321 4.470 -0.001 0.000 0.238 245 S C 1.430 175.603 174.600 -0.712 0.000 1.010 245 S CA 0.960 58.321 58.200 -1.399 0.000 0.972 245 S CB -0.520 62.216 63.200 -0.774 0.000 0.774 245 S HN 0.593 nan 8.310 nan 0.000 0.501 246 E N 0.120 120.124 120.200 -0.328 0.000 2.265 246 E HA -0.105 4.244 4.350 -0.001 0.000 0.196 246 E C 0.596 176.974 176.600 -0.370 0.000 0.996 246 E CA 1.059 57.271 56.400 -0.312 0.000 0.832 246 E CB -0.222 29.263 29.700 -0.359 0.000 0.756 246 E HN 0.796 nan 8.360 nan 0.000 0.491 247 Y N -1.708 118.552 120.300 -0.068 0.000 2.507 247 Y HA 0.105 4.655 4.550 -0.001 0.000 0.254 247 Y C 1.166 177.234 175.900 0.279 0.000 1.171 247 Y CA -0.442 57.712 58.100 0.090 0.000 1.238 247 Y CB 0.323 38.840 38.460 0.095 0.000 1.148 247 Y HN -0.002 nan 8.280 nan 0.000 0.525 248 F N -0.001 120.071 119.950 0.203 0.000 2.216 248 F HA -0.079 4.447 4.527 -0.001 0.000 0.300 248 F C 2.297 178.251 175.800 0.257 0.000 1.085 248 F CA 1.066 59.191 58.000 0.208 0.000 1.326 248 F CB -1.219 37.857 39.000 0.127 0.000 1.027 248 F HN 0.138 nan 8.300 nan 0.000 0.497 249 G N -0.545 108.474 108.800 0.365 0.000 2.534 249 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.217 249 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.217 249 G C 1.563 176.592 174.900 0.214 0.000 1.128 249 G CA 0.489 45.752 45.100 0.273 0.000 0.784 249 G HN 0.255 nan 8.290 nan 0.000 0.542 250 N N 0.395 119.216 118.700 0.202 0.000 2.395 250 N HA 0.229 4.969 4.740 -0.001 0.000 0.175 250 N C 1.179 176.681 175.510 -0.014 0.000 1.029 250 N CA 1.041 54.150 53.050 0.098 0.000 0.897 250 N CB 0.792 39.361 38.487 0.137 0.000 0.991 250 N HN 0.452 nan 8.380 nan 0.000 0.441 251 G N -0.439 108.399 108.800 0.063 0.000 2.398 251 G HA2 0.147 4.106 3.960 -0.001 0.000 0.251 251 G HA3 0.147 4.106 3.960 -0.001 0.000 0.251 251 G C -1.334 173.721 174.900 0.259 0.000 1.277 251 G CA -0.913 44.107 45.100 -0.133 0.000 0.927 251 G HN 0.011 nan 8.290 nan 0.000 0.477 252 R N -1.138 119.468 120.500 0.177 0.000 2.577 252 R HA 0.675 5.014 4.340 -0.001 0.000 0.269 252 R C -0.541 175.875 176.300 0.193 0.000 1.084 252 R CA -0.436 55.790 56.100 0.211 0.000 1.163 252 R CB 1.317 31.723 30.300 0.177 0.000 1.100 252 R HN 0.338 nan 8.270 nan 0.000 0.547 253 V N 0.145 120.184 119.914 0.207 0.000 2.962 253 V HA 0.228 4.348 4.120 -0.001 0.000 0.313 253 V C -0.139 176.080 176.094 0.209 0.000 1.099 253 V CA -1.053 61.388 62.300 0.235 0.000 0.971 253 V CB 2.225 34.255 31.823 0.345 0.000 1.028 253 V HN 0.967 nan 8.190 nan 0.000 0.430 254 T N -0.012 114.687 114.554 0.241 0.000 2.799 254 T HA 0.292 4.641 4.350 -0.001 0.000 0.296 254 T C -0.133 174.672 174.700 0.175 0.000 0.947 254 T CA -0.248 62.001 62.100 0.249 0.000 1.141 254 T CB 0.761 69.830 68.868 0.334 0.000 0.891 254 T HN 0.675 nan 8.240 nan 0.000 0.533 255 E N 2.613 122.801 120.200 -0.021 0.000 1.998 255 E HA 0.296 4.646 4.350 -0.001 0.000 0.257 255 E C -0.335 176.062 176.600 -0.339 0.000 1.038 255 E CA -0.972 55.353 56.400 -0.124 0.000 0.869 255 E CB -0.633 28.962 29.700 -0.174 0.000 1.135 255 E HN 0.680 nan 8.360 nan 0.000 0.430 256 F N 2.370 122.247 119.950 -0.122 0.000 2.604 256 F HA 0.018 4.544 4.527 -0.001 0.000 0.298 256 F C 1.725 177.423 175.800 -0.169 0.000 1.131 256 F CA 0.708 58.634 58.000 -0.122 0.000 1.457 256 F CB 0.191 39.213 39.000 0.038 0.000 1.095 256 F HN 0.377 nan 8.300 nan 0.000 0.574 257 K N -0.971 119.364 120.400 -0.108 0.000 2.148 257 K HA -0.206 4.114 4.320 -0.001 0.000 0.204 257 K C 1.783 178.196 176.600 -0.312 0.000 1.050 257 K CA 1.137 57.328 56.287 -0.160 0.000 0.942 257 K CB -0.400 31.975 32.500 -0.208 0.000 0.724 257 K HN 0.235 nan 8.250 nan 0.000 0.446 258 Y N 1.347 121.185 120.300 -0.770 0.000 2.030 258 Y HA -0.287 4.263 4.550 -0.001 0.000 0.274 258 Y C 2.406 178.230 175.900 -0.127 0.000 1.153 258 Y CA 2.133 59.875 58.100 -0.597 0.000 1.115 258 Y CB -0.752 37.341 38.460 -0.613 0.000 0.969 258 Y HN 0.072 nan 8.280 nan 0.000 0.488 259 G N -0.933 107.852 108.800 -0.025 0.000 2.408 259 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.217 259 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.217 259 G C 1.753 176.672 174.900 0.031 0.000 1.150 259 G CA 0.868 45.975 45.100 0.011 0.000 0.776 259 G HN 0.630 nan 8.290 nan 0.000 0.542 260 A N 0.827 123.681 122.820 0.055 0.000 1.877 260 A HA 0.024 4.343 4.320 -0.001 0.000 0.216 260 A C 2.405 180.048 177.584 0.098 0.000 1.186 260 A CA 1.820 53.914 52.037 0.095 0.000 0.620 260 A CB -0.233 18.840 19.000 0.122 0.000 0.822 260 A HN 0.210 nan 8.150 nan 0.000 0.443 261 K N -0.666 119.818 120.400 0.140 0.000 2.031 261 K HA -0.033 4.286 4.320 -0.001 0.000 0.205 261 K C 1.906 178.522 176.600 0.027 0.000 1.049 261 K CA 1.069 57.486 56.287 0.216 0.000 0.939 261 K CB -0.919 31.847 32.500 0.443 0.000 0.717 261 K HN 0.415 nan 8.250 nan 0.000 0.438 262 L N 1.160 122.336 121.223 -0.079 0.000 2.083 262 L HA -0.059 4.280 4.340 -0.001 0.000 0.209 262 L C 2.090 178.770 176.870 -0.318 0.000 1.083 262 L CA 2.039 56.628 54.840 -0.419 0.000 0.752 262 L CB -1.016 40.741 42.059 -0.503 0.000 0.899 262 L HN 0.237 nan 8.230 nan 0.000 0.433 263 G N -1.944 106.752 108.800 -0.173 0.000 2.421 263 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.216 263 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.216 263 G C 1.434 176.176 174.900 -0.263 0.000 1.171 263 G CA 1.161 46.150 45.100 -0.186 0.000 0.775 263 G HN 0.423 nan 8.290 nan 0.000 0.543 264 T N 0.864 115.328 114.554 -0.150 0.000 2.746 264 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 264 T C 2.524 177.149 174.700 -0.125 0.000 1.039 264 T CA 1.241 63.284 62.100 -0.095 0.000 1.142 264 T CB -0.257 68.676 68.868 0.108 0.000 0.866 264 T HN 0.061 nan 8.240 nan 0.000 0.444 265 V N 1.150 120.977 119.914 -0.144 0.000 2.307 265 V HA -0.122 3.997 4.120 -0.001 0.000 0.245 265 V C 2.675 178.588 176.094 -0.302 0.000 1.045 265 V CA 1.276 63.461 62.300 -0.193 0.000 1.024 265 V CB -0.623 31.021 31.823 -0.298 0.000 0.651 265 V HN 0.311 nan 8.190 nan 0.000 0.449 266 V N -0.158 119.529 119.914 -0.379 0.000 2.515 266 V HA -0.199 3.920 4.120 -0.001 0.000 0.250 266 V C 2.464 178.366 176.094 -0.319 0.000 1.058 266 V CA 1.790 63.865 62.300 -0.374 0.000 1.064 266 V CB -0.799 30.793 31.823 -0.386 0.000 0.675 266 V HN 0.465 nan 8.190 nan 0.000 0.461 267 R N -0.129 120.135 120.500 -0.393 0.000 2.236 267 R HA 0.038 4.377 4.340 -0.001 0.000 0.208 267 R C 0.628 176.729 176.300 -0.332 0.000 1.036 267 R CA 0.209 56.002 56.100 -0.511 0.000 1.001 267 R CB -0.061 29.571 30.300 -1.113 0.000 0.896 267 R HN 0.412 nan 8.270 nan 0.000 0.464 268 K N -0.730 119.545 120.400 -0.207 0.000 3.161 268 K HA -0.151 4.169 4.320 -0.001 0.000 0.270 268 K C -1.095 175.619 176.600 0.190 0.000 1.115 268 K CA 0.323 56.588 56.287 -0.037 0.000 0.789 268 K CB -1.029 31.446 32.500 -0.042 0.000 1.256 268 K HN 0.124 nan 8.250 nan 0.000 0.492 269 W N 0.267 121.556 121.300 -0.019 0.000 2.415 269 W HA 0.311 4.970 4.660 -0.001 0.000 0.355 269 W C 1.185 177.717 176.519 0.022 0.000 1.161 269 W CA -0.845 56.501 57.345 0.001 0.000 1.315 269 W CB 0.947 30.410 29.460 0.006 0.000 1.261 269 W HN 0.194 nan 8.180 nan 0.000 0.636 270 S N 0.604 116.445 115.700 0.236 0.000 3.533 270 S HA -0.112 4.357 4.470 -0.001 0.000 0.347 270 S C 0.985 175.667 174.600 0.135 0.000 1.101 270 S CA 1.604 59.891 58.200 0.144 0.000 1.009 270 S CB -1.611 61.680 63.200 0.153 0.000 0.916 270 S HN 1.645 nan 8.310 nan 0.000 0.496 271 G N -0.320 108.558 108.800 0.129 0.000 2.155 271 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.257 271 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.257 271 G C -0.257 174.745 174.900 0.170 0.000 0.983 271 G CA 0.464 45.639 45.100 0.125 0.000 0.676 271 G HN 0.627 nan 8.290 nan 0.000 0.528 272 E N 0.584 120.881 120.200 0.162 0.000 2.354 272 E HA 0.467 4.816 4.350 -0.001 0.000 0.269 272 E C 0.520 177.038 176.600 -0.137 0.000 1.036 272 E CA 0.210 56.708 56.400 0.163 0.000 0.876 272 E CB 0.965 30.786 29.700 0.202 0.000 1.009 272 E HN 0.535 nan 8.360 nan 0.000 0.416 273 K N 2.112 122.189 120.400 -0.539 0.000 2.375 273 K HA 0.369 4.688 4.320 -0.001 0.000 0.249 273 K C 1.079 177.407 176.600 -0.452 0.000 0.942 273 K CA -0.693 55.237 56.287 -0.594 0.000 0.806 273 K CB 1.828 33.815 32.500 -0.855 0.000 1.227 273 K HN 0.271 nan 8.250 nan 0.000 0.430 274 M N 0.991 120.392 119.600 -0.331 0.000 2.279 274 M HA -0.157 4.323 4.480 -0.001 0.000 0.264 274 M C 1.756 178.002 176.300 -0.089 0.000 1.062 274 M CA 1.664 56.792 55.300 -0.287 0.000 1.099 274 M CB -0.152 32.252 32.600 -0.327 0.000 1.394 274 M HN 0.748 nan 8.290 nan 0.000 0.426 275 S N -0.545 115.109 115.700 -0.076 0.000 2.474 275 S HA -0.142 4.327 4.470 -0.001 0.000 0.235 275 S C 1.407 176.192 174.600 0.309 0.000 0.997 275 S CA 0.695 58.997 58.200 0.170 0.000 0.949 275 S CB -0.684 62.551 63.200 0.058 0.000 0.766 275 S HN 0.443 nan 8.310 nan 0.000 0.517 276 Y N 1.708 122.083 120.300 0.124 0.000 2.571 276 Y HA 0.282 4.832 4.550 -0.001 0.000 0.294 276 Y C 1.765 177.830 175.900 0.275 0.000 1.141 276 Y CA -0.714 57.490 58.100 0.174 0.000 1.308 276 Y CB -0.805 37.794 38.460 0.231 0.000 1.002 276 Y HN 0.314 nan 8.280 nan 0.000 0.551 277 L N -0.202 121.145 121.223 0.207 0.000 2.610 277 L HA -0.093 4.246 4.340 -0.001 0.000 0.232 277 L C 2.362 179.049 176.870 -0.304 0.000 1.149 277 L CA 0.517 55.299 54.840 -0.096 0.000 0.872 277 L CB -0.354 41.438 42.059 -0.446 0.000 0.992 277 L HN 0.091 nan 8.230 nan 0.000 0.447 278 K N 1.877 121.922 120.400 -0.592 0.000 2.127 278 K HA -0.208 4.111 4.320 -0.001 0.000 0.208 278 K C 1.087 177.282 176.600 -0.675 0.000 1.047 278 K CA 1.866 57.361 56.287 -1.320 0.000 0.927 278 K CB 0.004 31.900 32.500 -1.006 0.000 0.716 278 K HN 0.450 nan 8.250 nan 0.000 0.450 279 N N -0.285 118.254 118.700 -0.269 0.000 2.380 279 N HA -0.075 4.665 4.740 -0.001 0.000 0.255 279 N C -0.499 174.980 175.510 -0.052 0.000 1.158 279 N CA -0.491 52.458 53.050 -0.169 0.000 0.878 279 N CB -0.583 37.848 38.487 -0.094 0.000 1.138 279 N HN 0.250 nan 8.380 nan 0.000 0.509 280 W N 1.339 122.359 121.300 -0.467 0.000 2.231 280 W HA 0.316 4.975 4.660 -0.001 0.000 0.341 280 W C 0.567 176.701 176.519 -0.642 0.000 1.298 280 W CA 2.029 58.894 57.345 -0.801 0.000 1.266 280 W CB 0.522 29.435 29.460 -0.911 0.000 1.172 280 W HN 0.462 nan 8.180 nan 0.000 0.568 281 G N 3.795 111.773 108.800 -1.370 0.000 2.456 281 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.204 281 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.204 281 G C 0.326 174.684 174.900 -0.902 0.000 1.193 281 G CA 0.131 44.509 45.100 -1.202 0.000 1.220 281 G HN 0.465 nan 8.290 nan 0.000 0.565 282 E N 0.944 120.934 120.200 -0.350 0.000 2.204 282 E HA 0.121 4.470 4.350 -0.001 0.000 0.195 282 E C 2.485 178.958 176.600 -0.212 0.000 0.990 282 E CA 1.549 57.854 56.400 -0.159 0.000 0.821 282 E CB -0.529 29.170 29.700 -0.002 0.000 0.750 282 E HN 0.776 nan 8.360 nan 0.000 0.477 283 G N -0.455 108.209 108.800 -0.226 0.000 2.470 283 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.220 283 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.220 283 G C 0.438 175.209 174.900 -0.215 0.000 1.121 283 G CA 0.250 45.249 45.100 -0.168 0.000 0.766 283 G HN 0.256 nan 8.290 nan 0.000 0.553 284 W N 0.066 120.953 121.300 -0.688 0.000 3.223 284 W HA 0.457 5.116 4.660 -0.001 0.000 0.389 284 W C 1.537 177.704 176.519 -0.587 0.000 1.118 284 W CA -0.447 56.446 57.345 -0.754 0.000 1.902 284 W CB 0.019 28.724 29.460 -1.257 0.000 1.094 284 W HN 0.276 nan 8.180 nan 0.000 0.666 285 G N -0.179 108.491 108.800 -0.216 0.000 2.147 285 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.244 285 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.244 285 G C 0.045 175.061 174.900 0.192 0.000 1.005 285 G CA -0.470 44.620 45.100 -0.018 0.000 0.713 285 G HN 0.004 nan 8.290 nan 0.000 0.515 286 F N 0.928 120.824 119.950 -0.090 0.000 2.403 286 F HA 0.646 5.172 4.527 -0.001 0.000 0.320 286 F C 1.614 177.462 175.800 0.080 0.000 1.176 286 F CA -1.469 56.490 58.000 -0.068 0.000 1.206 286 F CB 0.343 39.142 39.000 -0.334 0.000 1.235 286 F HN 0.333 nan 8.300 nan 0.000 0.565 287 M N 1.176 121.003 119.600 0.379 0.000 2.113 287 M HA 0.364 4.843 4.480 -0.001 0.000 0.288 287 M C -2.549 173.912 176.300 0.269 0.000 1.225 287 M CA -1.395 54.109 55.300 0.341 0.000 1.148 287 M CB -0.575 32.255 32.600 0.384 0.000 1.388 287 M HN 0.153 nan 8.290 nan 0.000 0.469 288 P HA 0.020 nan 4.420 nan 0.000 0.266 288 P C 0.227 177.464 177.300 -0.105 0.000 1.195 288 P CA 0.122 63.217 63.100 -0.009 0.000 0.768 288 P CB 0.853 32.457 31.700 -0.161 0.000 0.838 289 S N 2.610 118.232 115.700 -0.129 0.000 2.374 289 S HA -0.208 4.261 4.470 -0.001 0.000 0.227 289 S C 1.208 175.589 174.600 -0.365 0.000 1.037 289 S CA 2.085 59.984 58.200 -0.501 0.000 1.024 289 S CB -0.942 62.064 63.200 -0.324 0.000 0.861 289 S HN 0.627 nan 8.310 nan 0.000 0.456 290 D N -0.443 119.809 120.400 -0.247 0.000 2.363 290 D HA 0.015 4.655 4.640 -0.001 0.000 0.226 290 D C 1.472 177.625 176.300 -0.245 0.000 1.020 290 D CA 0.248 54.119 54.000 -0.216 0.000 0.892 290 D CB -0.137 40.541 40.800 -0.203 0.000 0.900 290 D HN 0.246 nan 8.370 nan 0.000 0.531 291 R N -0.241 120.081 120.500 -0.297 0.000 2.476 291 R HA 0.456 4.796 4.340 -0.001 0.000 0.276 291 R C 0.068 176.282 176.300 -0.143 0.000 0.941 291 R CA -0.039 55.874 56.100 -0.313 0.000 1.088 291 R CB 0.709 30.533 30.300 -0.792 0.000 1.216 291 R HN 0.209 nan 8.270 nan 0.000 0.533 292 A N 1.228 123.955 122.820 -0.154 0.000 2.324 292 A HA 0.627 4.947 4.320 -0.001 0.000 0.330 292 A C -0.906 176.645 177.584 -0.055 0.000 1.165 292 A CA -0.526 51.455 52.037 -0.093 0.000 0.813 292 A CB 1.001 19.914 19.000 -0.146 0.000 1.197 292 A HN 0.177 nan 8.150 nan 0.000 0.484 293 L N 3.530 124.755 121.223 0.004 0.000 2.325 293 L HA 0.680 5.019 4.340 -0.001 0.000 0.281 293 L C -0.350 176.508 176.870 -0.020 0.000 1.004 293 L CA -0.471 54.386 54.840 0.028 0.000 0.823 293 L CB 1.643 43.717 42.059 0.024 0.000 1.236 293 L HN 0.732 nan 8.230 nan 0.000 0.415 294 V N 2.192 122.017 119.914 -0.149 0.000 2.881 294 V HA 0.850 4.970 4.120 -0.001 0.000 0.316 294 V C -0.738 175.244 176.094 -0.187 0.000 1.070 294 V CA -0.621 61.409 62.300 -0.450 0.000 0.976 294 V CB 1.671 32.910 31.823 -0.972 0.000 1.038 294 V HN 0.802 nan 8.190 nan 0.000 0.446 295 F N -0.603 119.151 119.950 -0.327 0.000 2.744 295 F HA 0.735 5.262 4.527 -0.001 0.000 0.311 295 F C -0.052 175.773 175.800 0.042 0.000 1.144 295 F CA -0.836 57.087 58.000 -0.130 0.000 0.938 295 F CB 0.652 39.578 39.000 -0.124 0.000 1.292 295 F HN 0.249 nan 8.300 nan 0.000 0.444 296 V N -0.022 120.029 119.914 0.229 0.000 2.379 296 V HA 0.061 4.181 4.120 -0.001 0.000 0.243 296 V C 0.134 176.407 176.094 0.298 0.000 1.035 296 V CA 1.897 64.321 62.300 0.207 0.000 1.035 296 V CB -0.543 31.358 31.823 0.130 0.000 0.673 296 V HN 0.916 nan 8.190 nan 0.000 0.457 297 D N -0.420 120.238 120.400 0.431 0.000 2.570 297 D HA 0.302 4.941 4.640 -0.001 0.000 0.244 297 D C -1.011 175.494 176.300 0.342 0.000 1.178 297 D CA -0.604 53.635 54.000 0.398 0.000 0.881 297 D CB 1.927 42.915 40.800 0.313 0.000 1.453 297 D HN 0.267 nan 8.370 nan 0.000 0.447 298 N N -1.669 117.139 118.700 0.179 0.000 3.038 298 N HA 0.094 4.833 4.740 -0.001 0.000 0.307 298 N C 1.156 176.590 175.510 -0.126 0.000 1.441 298 N CA -0.478 52.542 53.050 -0.050 0.000 0.772 298 N CB 0.366 38.673 38.487 -0.300 0.000 1.651 298 N HN 0.608 nan 8.380 nan 0.000 0.593 299 H N -1.153 117.741 119.070 -0.294 0.000 2.457 299 H HA -0.032 4.523 4.556 -0.001 0.000 0.297 299 H C -0.227 174.748 175.328 -0.588 0.000 1.092 299 H CA 1.367 56.993 56.048 -0.704 0.000 1.309 299 H CB -0.012 29.053 29.762 -1.161 0.000 1.382 299 H HN 0.476 nan 8.280 nan 0.000 0.535 300 D N 1.462 121.388 120.400 -0.789 0.000 2.154 300 D HA -0.127 4.512 4.640 -0.001 0.000 0.211 300 D C 2.012 178.253 176.300 -0.098 0.000 0.977 300 D CA 1.433 55.167 54.000 -0.444 0.000 0.869 300 D CB -0.327 40.289 40.800 -0.307 0.000 1.022 300 D HN 0.574 nan 8.370 nan 0.000 0.461 301 N N 1.200 119.913 118.700 0.022 0.000 2.512 301 N HA -0.168 4.571 4.740 -0.001 0.000 0.183 301 N C 1.421 177.019 175.510 0.147 0.000 1.073 301 N CA 0.718 53.849 53.050 0.137 0.000 0.911 301 N CB -0.760 37.859 38.487 0.221 0.000 0.964 301 N HN 0.387 nan 8.380 nan 0.000 0.447 302 Q N 0.455 120.313 119.800 0.096 0.000 2.435 302 Q HA -0.021 4.319 4.340 -0.001 0.000 0.207 302 Q C 0.769 176.942 176.000 0.288 0.000 0.956 302 Q CA 0.589 56.494 55.803 0.170 0.000 0.917 302 Q CB -0.101 28.720 28.738 0.137 0.000 0.997 302 Q HN 0.604 nan 8.270 nan 0.000 0.497 303 R N -1.239 119.373 120.500 0.186 0.000 2.659 303 R HA 0.484 4.823 4.340 -0.001 0.000 0.418 303 R C 0.649 177.144 176.300 0.324 0.000 1.076 303 R CA 0.050 56.308 56.100 0.264 0.000 1.093 303 R CB 0.563 30.825 30.300 -0.063 0.000 1.400 303 R HN 0.195 nan 8.270 nan 0.000 0.583 304 G N 0.564 109.535 108.800 0.285 0.000 2.241 304 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.244 304 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.244 304 G C 0.051 175.094 174.900 0.238 0.000 0.998 304 G CA 0.181 45.437 45.100 0.260 0.000 0.621 304 G HN 0.551 nan 8.290 nan 0.000 0.519 305 H N 0.504 119.633 119.070 0.098 0.000 2.544 305 H HA 0.442 4.997 4.556 -0.001 0.000 0.365 305 H C 1.413 176.747 175.328 0.010 0.000 1.268 305 H CA 0.123 56.212 56.048 0.069 0.000 1.400 305 H CB 0.954 30.792 29.762 0.127 0.000 1.538 305 H HN 1.177 nan 8.280 nan 0.000 0.597 306 G N -0.059 108.791 108.800 0.083 0.000 2.531 306 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.274 306 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.274 306 G C -0.475 174.379 174.900 -0.075 0.000 1.159 306 G CA 0.105 45.175 45.100 -0.051 0.000 0.969 306 G HN 0.914 nan 8.290 nan 0.000 0.554 307 A N -1.512 121.256 122.820 -0.088 0.000 2.384 307 A HA 1.002 5.321 4.320 -0.001 0.000 0.312 307 A C 1.249 178.903 177.584 0.117 0.000 1.113 307 A CA 1.224 53.243 52.037 -0.030 0.000 0.779 307 A CB 1.200 20.123 19.000 -0.129 0.000 1.307 307 A HN 2.889 nan 8.150 nan 0.000 0.436 308 G N -0.628 108.241 108.800 0.115 0.000 2.697 308 G HA2 0.410 4.370 3.960 -0.001 0.000 0.200 308 G HA3 0.410 4.370 3.960 -0.001 0.000 0.200 308 G C 1.721 176.706 174.900 0.141 0.000 1.106 308 G CA 0.992 46.182 45.100 0.151 0.000 0.748 308 G HN 2.959 nan 8.290 nan 0.000 0.503 309 G N -0.161 108.721 108.800 0.137 0.000 2.539 309 G HA2 0.064 4.023 3.960 -0.001 0.000 0.256 309 G HA3 0.064 4.023 3.960 -0.001 0.000 0.256 309 G C 1.441 176.450 174.900 0.181 0.000 1.233 309 G CA 2.303 47.492 45.100 0.147 0.000 0.936 309 G HN 2.097 nan 8.290 nan 0.000 0.571 310 S N -0.125 115.708 115.700 0.222 0.000 2.453 310 S HA 0.009 4.478 4.470 -0.001 0.000 0.231 310 S C 2.507 177.267 174.600 0.266 0.000 1.005 310 S CA 2.068 60.436 58.200 0.280 0.000 0.949 310 S CB -0.426 62.983 63.200 0.347 0.000 0.774 310 S HN 2.111 nan 8.310 nan 0.000 0.510 311 S N 1.662 117.511 115.700 0.249 0.000 2.447 311 S HA 0.112 4.582 4.470 -0.001 0.000 0.233 311 S C 0.850 175.416 174.600 -0.056 0.000 1.006 311 S CA -0.081 58.116 58.200 -0.005 0.000 0.957 311 S CB -0.805 62.453 63.200 0.095 0.000 0.773 311 S HN 0.398 nan 8.310 nan 0.000 0.507 312 I N 2.802 123.409 120.570 0.061 0.000 2.741 312 I HA 0.114 4.283 4.170 -0.001 0.000 0.288 312 I C 0.318 176.477 176.117 0.070 0.000 1.192 312 I CA -0.197 61.155 61.300 0.087 0.000 1.426 312 I CB -0.401 37.690 38.000 0.152 0.000 1.367 312 I HN 0.322 nan 8.210 nan 0.000 0.563 313 L N 7.061 128.343 121.223 0.098 0.000 2.292 313 L HA 0.376 4.716 4.340 -0.001 0.000 0.284 313 L C 0.681 177.682 176.870 0.219 0.000 1.065 313 L CA -0.198 54.732 54.840 0.149 0.000 0.806 313 L CB 1.438 43.608 42.059 0.184 0.000 1.175 313 L HN 0.772 nan 8.230 nan 0.000 0.431 314 T N -1.426 113.128 114.554 -0.000 0.000 2.831 314 T HA 0.339 4.688 4.350 -0.001 0.000 0.287 314 T C 0.844 175.114 174.700 -0.716 0.000 1.070 314 T CA -0.637 61.235 62.100 -0.381 0.000 1.010 314 T CB 0.811 69.566 68.868 -0.188 0.000 1.264 314 T HN 0.403 nan 8.240 nan 0.000 0.532 315 F N -1.219 118.224 119.950 -0.846 0.000 2.373 315 F HA 0.162 4.689 4.527 -0.001 0.000 0.300 315 F C 1.633 177.309 175.800 -0.207 0.000 1.080 315 F CA -0.050 57.635 58.000 -0.526 0.000 1.417 315 F CB -1.077 37.650 39.000 -0.454 0.000 1.070 315 F HN 0.554 nan 8.300 nan 0.000 0.546 316 W N 1.526 122.458 121.300 -0.614 0.000 2.392 316 W HA -0.093 4.566 4.660 -0.001 0.000 0.279 316 W C 0.682 177.133 176.519 -0.113 0.000 1.225 316 W CA 0.880 57.995 57.345 -0.383 0.000 1.233 316 W CB -0.137 29.028 29.460 -0.491 0.000 1.122 316 W HN -0.009 nan 8.180 nan 0.000 0.561 317 D N -0.081 120.395 120.400 0.126 0.000 3.088 317 D HA 0.250 4.890 4.640 -0.001 0.000 0.310 317 D C 1.362 177.788 176.300 0.210 0.000 1.351 317 D CA 0.177 54.258 54.000 0.136 0.000 0.921 317 D CB 0.415 41.269 40.800 0.090 0.000 1.045 317 D HN 0.012 nan 8.370 nan 0.000 0.504 318 A N 1.289 124.259 122.820 0.250 0.000 1.915 318 A HA -0.314 4.005 4.320 -0.001 0.000 0.220 318 A C 2.192 179.976 177.584 0.334 0.000 1.198 318 A CA 1.625 53.884 52.037 0.369 0.000 0.647 318 A CB -0.386 18.718 19.000 0.173 0.000 0.825 318 A HN 0.326 nan 8.150 nan 0.000 0.456 319 R N -0.628 119.987 120.500 0.193 0.000 2.073 319 R HA -0.052 4.287 4.340 -0.001 0.000 0.234 319 R C 2.074 178.474 176.300 0.168 0.000 1.134 319 R CA 1.726 57.925 56.100 0.165 0.000 0.952 319 R CB -0.354 30.006 30.300 0.101 0.000 0.850 319 R HN 0.555 nan 8.270 nan 0.000 0.433 320 L N -0.561 120.739 121.223 0.128 0.000 2.156 320 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 320 L C 2.264 179.193 176.870 0.098 0.000 1.095 320 L CA 0.707 55.581 54.840 0.057 0.000 0.770 320 L CB -0.512 41.542 42.059 -0.008 0.000 0.914 320 L HN 0.276 nan 8.230 nan 0.000 0.439 321 Y N 1.484 121.832 120.300 0.081 0.000 2.128 321 Y HA -0.282 4.267 4.550 -0.001 0.000 0.284 321 Y C 2.537 178.517 175.900 0.134 0.000 1.154 321 Y CA 1.620 59.787 58.100 0.112 0.000 1.149 321 Y CB -0.122 38.459 38.460 0.202 0.000 0.976 321 Y HN -0.012 nan 8.280 nan 0.000 0.505 322 K N -0.839 119.708 120.400 0.244 0.000 2.097 322 K HA -0.142 4.177 4.320 -0.001 0.000 0.206 322 K C 2.014 178.591 176.600 -0.037 0.000 1.049 322 K CA 1.482 57.898 56.287 0.215 0.000 0.933 322 K CB -0.353 32.429 32.500 0.471 0.000 0.717 322 K HN 0.200 nan 8.250 nan 0.000 0.442 323 V N 1.209 121.018 119.914 -0.175 0.000 2.307 323 V HA -0.257 3.862 4.120 -0.001 0.000 0.245 323 V C 2.327 178.202 176.094 -0.366 0.000 1.045 323 V CA 2.068 64.063 62.300 -0.509 0.000 1.024 323 V CB -0.619 31.024 31.823 -0.300 0.000 0.651 323 V HN 0.365 nan 8.190 nan 0.000 0.449 324 A N -0.256 122.399 122.820 -0.275 0.000 1.877 324 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 324 A C 2.378 179.865 177.584 -0.163 0.000 1.186 324 A CA 2.137 54.020 52.037 -0.257 0.000 0.620 324 A CB -0.728 18.143 19.000 -0.216 0.000 0.822 324 A HN 0.333 nan 8.150 nan 0.000 0.443 325 V N -0.049 119.726 119.914 -0.232 0.000 2.407 325 V HA -0.168 3.951 4.120 -0.001 0.000 0.248 325 V C 2.803 178.878 176.094 -0.030 0.000 1.055 325 V CA 1.880 64.079 62.300 -0.169 0.000 1.049 325 V CB -1.452 30.185 31.823 -0.310 0.000 0.662 325 V HN 0.622 nan 8.190 nan 0.000 0.455 326 G N -0.884 107.895 108.800 -0.035 0.000 2.421 326 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.216 326 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.216 326 G C 1.581 176.553 174.900 0.119 0.000 1.171 326 G CA 1.017 46.148 45.100 0.050 0.000 0.775 326 G HN 0.480 nan 8.290 nan 0.000 0.543 327 F N 0.860 120.789 119.950 -0.034 0.000 2.134 327 F HA -0.004 4.523 4.527 -0.001 0.000 0.299 327 F C 2.656 178.526 175.800 0.116 0.000 1.097 327 F CA 2.032 60.025 58.000 -0.012 0.000 1.264 327 F CB -0.073 38.629 39.000 -0.496 0.000 1.001 327 F HN 0.162 nan 8.300 nan 0.000 0.479 328 M N -0.090 119.659 119.600 0.250 0.000 2.086 328 M HA -0.213 4.267 4.480 -0.001 0.000 0.261 328 M C 1.939 178.357 176.300 0.196 0.000 1.067 328 M CA 1.914 57.414 55.300 0.335 0.000 1.116 328 M CB -0.451 32.345 32.600 0.327 0.000 1.348 328 M HN 0.267 nan 8.290 nan 0.000 0.407 329 L N 0.068 121.350 121.223 0.098 0.000 2.275 329 L HA -0.095 4.244 4.340 -0.001 0.000 0.215 329 L C 2.544 179.471 176.870 0.095 0.000 1.119 329 L CA 0.808 55.682 54.840 0.057 0.000 0.790 329 L CB -0.732 41.341 42.059 0.024 0.000 0.919 329 L HN 0.442 nan 8.230 nan 0.000 0.443 330 A N -1.720 121.134 122.820 0.057 0.000 2.044 330 A HA -0.065 4.255 4.320 -0.001 0.000 0.213 330 A C 0.882 178.690 177.584 0.373 0.000 1.169 330 A CA 0.100 52.195 52.037 0.098 0.000 0.724 330 A CB -0.388 18.461 19.000 -0.252 0.000 0.840 330 A HN 0.370 nan 8.150 nan 0.000 0.463 331 H N 0.677 119.866 119.070 0.198 0.000 2.683 331 H HA 0.251 4.807 4.556 -0.001 0.000 0.339 331 H C -1.447 174.019 175.328 0.230 0.000 1.081 331 H CA -1.162 55.003 56.048 0.194 0.000 1.432 331 H CB 1.233 30.994 29.762 -0.003 0.000 1.462 331 H HN 0.038 nan 8.280 nan 0.000 0.557 332 P HA -0.175 nan 4.420 nan 0.000 0.226 332 P C -0.152 177.240 177.300 0.152 0.000 1.153 332 P CA 0.768 63.891 63.100 0.038 0.000 0.777 332 P CB -0.067 31.614 31.700 -0.032 0.000 0.794 333 Y N 2.260 122.723 120.300 0.272 0.000 2.544 333 Y HA 0.324 4.874 4.550 -0.001 0.000 0.330 333 Y C 1.267 177.228 175.900 0.101 0.000 1.136 333 Y CA 1.335 59.571 58.100 0.228 0.000 1.417 333 Y CB -0.313 38.344 38.460 0.328 0.000 1.229 333 Y HN 0.300 nan 8.280 nan 0.000 0.532 334 G N 4.652 113.067 108.800 -0.641 0.000 2.877 334 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.279 334 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.279 334 G C -1.310 173.490 174.900 -0.166 0.000 1.431 334 G CA -0.255 44.551 45.100 -0.490 0.000 0.883 334 G HN 0.910 nan 8.290 nan 0.000 0.547 335 F N 1.843 121.649 119.950 -0.240 0.000 2.415 335 F HA 0.645 5.171 4.527 -0.001 0.000 0.348 335 F C 1.177 176.867 175.800 -0.183 0.000 1.119 335 F CA 0.095 57.982 58.000 -0.189 0.000 1.069 335 F CB 1.516 40.409 39.000 -0.179 0.000 1.124 335 F HN 0.842 nan 8.300 nan 0.000 0.472 336 T N 4.068 118.180 114.554 -0.736 0.000 2.845 336 T HA 0.423 4.772 4.350 -0.001 0.000 0.288 336 T C -0.396 174.057 174.700 -0.412 0.000 0.980 336 T CA -0.892 60.929 62.100 -0.465 0.000 1.071 336 T CB 1.391 70.062 68.868 -0.330 0.000 0.941 336 T HN 0.797 nan 8.240 nan 0.000 0.487 337 R N 2.363 122.768 120.500 -0.158 0.000 2.439 337 R HA 0.580 4.920 4.340 -0.001 0.000 0.310 337 R C -1.508 174.807 176.300 0.025 0.000 0.955 337 R CA -0.695 55.362 56.100 -0.072 0.000 0.853 337 R CB 1.421 31.679 30.300 -0.071 0.000 1.171 337 R HN 0.604 nan 8.270 nan 0.000 0.449 338 V N 5.667 125.612 119.914 0.053 0.000 2.509 338 V HA 0.290 4.409 4.120 -0.001 0.000 0.284 338 V C 0.280 176.452 176.094 0.129 0.000 1.047 338 V CA -0.605 61.762 62.300 0.111 0.000 0.952 338 V CB 1.484 33.411 31.823 0.174 0.000 0.988 338 V HN 0.793 nan 8.190 nan 0.000 0.469 339 M N 4.342 124.038 119.600 0.159 0.000 2.277 339 M HA 0.466 4.946 4.480 -0.001 0.000 0.350 339 M C -0.130 176.230 176.300 0.101 0.000 1.180 339 M CA 0.691 56.080 55.300 0.148 0.000 1.103 339 M CB 1.460 34.176 32.600 0.194 0.000 1.577 339 M HN 0.597 nan 8.290 nan 0.000 0.459 340 S N 2.708 118.439 115.700 0.052 0.000 2.779 340 S HA 0.744 5.213 4.470 -0.001 0.000 0.293 340 S C -1.160 173.535 174.600 0.157 0.000 1.150 340 S CA -0.647 57.601 58.200 0.079 0.000 1.057 340 S CB 0.465 63.657 63.200 -0.014 0.000 1.021 340 S HN 0.853 nan 8.310 nan 0.000 0.485 341 S N 3.152 118.921 115.700 0.114 0.000 2.776 341 S HA 0.820 5.290 4.470 -0.001 0.000 0.306 341 S C -1.142 173.576 174.600 0.197 0.000 1.114 341 S CA -0.800 57.486 58.200 0.144 0.000 0.973 341 S CB 0.535 63.742 63.200 0.013 0.000 1.250 341 S HN 0.783 nan 8.310 nan 0.000 0.549 342 Y N -0.862 119.542 120.300 0.173 0.000 2.536 342 Y HA 0.785 5.334 4.550 -0.001 0.000 0.347 342 Y C -0.359 175.591 175.900 0.083 0.000 1.000 342 Y CA -1.436 56.656 58.100 -0.013 0.000 1.051 342 Y CB 0.851 39.159 38.460 -0.254 0.000 1.259 342 Y HN 0.667 nan 8.280 nan 0.000 0.468 343 R N 2.232 122.829 120.500 0.162 0.000 2.441 343 R HA 0.518 4.857 4.340 -0.001 0.000 0.284 343 R C -1.586 175.050 176.300 0.560 0.000 1.070 343 R CA -0.316 55.937 56.100 0.255 0.000 1.047 343 R CB 0.704 31.027 30.300 0.039 0.000 1.016 343 R HN 0.946 nan 8.270 nan 0.000 0.477 344 W N 1.796 123.353 121.300 0.429 0.000 3.062 344 W HA 0.640 5.300 4.660 -0.001 0.000 0.336 344 W C -1.703 174.974 176.519 0.263 0.000 1.224 344 W CA -1.261 56.254 57.345 0.283 0.000 1.159 344 W CB 0.869 30.473 29.460 0.240 0.000 1.454 344 W HN 0.620 nan 8.180 nan 0.000 0.569 345 A N 3.500 126.442 122.820 0.202 0.000 2.539 345 A HA 0.443 4.762 4.320 -0.001 0.000 0.306 345 A C 0.161 177.721 177.584 -0.041 0.000 1.392 345 A CA -0.585 51.468 52.037 0.027 0.000 1.060 345 A CB -0.287 18.747 19.000 0.055 0.000 1.134 345 A HN 0.621 nan 8.150 nan 0.000 0.542 346 R N 2.020 122.332 120.500 -0.314 0.000 2.543 346 R HA 0.182 4.521 4.340 -0.001 0.000 0.277 346 R C -0.158 176.035 176.300 -0.178 0.000 1.074 346 R CA 0.025 55.937 56.100 -0.313 0.000 1.076 346 R CB 0.638 30.589 30.300 -0.581 0.000 0.993 346 R HN 0.847 nan 8.270 nan 0.000 0.459 347 N N 3.249 121.823 118.700 -0.211 0.000 2.607 347 N HA 0.143 4.882 4.740 -0.001 0.000 0.271 347 N C -1.422 173.982 175.510 -0.176 0.000 1.142 347 N CA -0.333 52.663 53.050 -0.090 0.000 0.810 347 N CB 0.644 39.131 38.487 -0.000 0.000 1.306 347 N HN 0.247 nan 8.380 nan 0.000 0.536 348 F N 2.220 122.168 119.950 -0.004 0.000 2.438 348 F HA 0.316 4.842 4.527 -0.001 0.000 0.356 348 F C 0.384 176.197 175.800 0.023 0.000 1.099 348 F CA -0.327 57.679 58.000 0.010 0.000 1.185 348 F CB 1.277 40.265 39.000 -0.020 0.000 1.115 348 F HN 0.024 nan 8.300 nan 0.000 0.526 349 V N 3.664 123.676 119.914 0.162 0.000 2.447 349 V HA 0.263 4.383 4.120 -0.001 0.000 0.292 349 V C -0.046 176.118 176.094 0.116 0.000 1.021 349 V CA -1.234 61.136 62.300 0.117 0.000 0.850 349 V CB 1.287 33.158 31.823 0.081 0.000 1.005 349 V HN 0.860 nan 8.190 nan 0.000 0.426 350 N N 3.968 122.732 118.700 0.106 0.000 2.780 350 N HA -0.163 4.576 4.740 -0.001 0.000 0.248 350 N C 0.928 176.506 175.510 0.114 0.000 1.102 350 N CA 1.514 54.615 53.050 0.085 0.000 0.697 350 N CB -0.873 37.652 38.487 0.065 0.000 1.028 350 N HN 1.705 nan 8.380 nan 0.000 0.554 351 G N -0.863 108.037 108.800 0.168 0.000 2.179 351 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.257 351 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.257 351 G C -0.266 174.841 174.900 0.344 0.000 1.010 351 G CA 0.757 45.989 45.100 0.220 0.000 0.736 351 G HN 0.816 nan 8.290 nan 0.000 0.513 352 E N 0.134 120.520 120.200 0.310 0.000 2.248 352 E HA 0.512 4.861 4.350 -0.001 0.000 0.267 352 E C -0.999 175.556 176.600 -0.074 0.000 0.877 352 E CA -1.057 55.445 56.400 0.169 0.000 0.759 352 E CB 1.267 31.027 29.700 0.100 0.000 1.182 352 E HN 0.011 nan 8.360 nan 0.000 0.418 353 D N 3.953 124.161 120.400 -0.320 0.000 2.374 353 D HA 0.029 4.668 4.640 -0.001 0.000 0.240 353 D C 1.117 177.352 176.300 -0.107 0.000 1.229 353 D CA -0.081 53.575 54.000 -0.574 0.000 0.895 353 D CB 0.918 41.369 40.800 -0.581 0.000 1.046 353 D HN 0.341 nan 8.370 nan 0.000 0.498 354 V N 1.590 121.480 119.914 -0.040 0.000 2.913 354 V HA -0.059 4.060 4.120 -0.001 0.000 0.260 354 V C 1.016 177.266 176.094 0.260 0.000 1.098 354 V CA 1.137 63.517 62.300 0.133 0.000 1.121 354 V CB -0.731 31.172 31.823 0.132 0.000 0.714 354 V HN 0.451 nan 8.190 nan 0.000 0.487 355 N N 1.626 120.397 118.700 0.118 0.000 2.276 355 N HA 0.007 4.747 4.740 -0.001 0.000 0.212 355 N C 0.800 176.203 175.510 -0.179 0.000 1.127 355 N CA 0.540 53.564 53.050 -0.044 0.000 0.834 355 N CB -0.033 38.448 38.487 -0.011 0.000 1.014 355 N HN 0.719 nan 8.380 nan 0.000 0.491 356 D N 0.578 121.039 120.400 0.102 0.000 2.384 356 D HA -0.190 4.449 4.640 -0.001 0.000 0.222 356 D C 1.541 178.038 176.300 0.329 0.000 0.976 356 D CA 0.476 54.580 54.000 0.173 0.000 0.915 356 D CB -0.460 40.578 40.800 0.397 0.000 0.896 356 D HN 0.549 nan 8.370 nan 0.000 0.523 357 W N 0.925 122.439 121.300 0.357 0.000 2.737 357 W HA 0.259 4.919 4.660 -0.001 0.000 0.262 357 W C 0.392 176.987 176.519 0.126 0.000 1.282 357 W CA -0.773 56.730 57.345 0.263 0.000 1.386 357 W CB -0.762 28.800 29.460 0.169 0.000 1.099 357 W HN -0.225 nan 8.180 nan 0.000 0.621 358 I N 2.971 123.101 120.570 -0.733 0.000 3.015 358 I HA -0.064 4.106 4.170 -0.001 0.000 0.309 358 I C 1.479 177.604 176.117 0.014 0.000 1.229 358 I CA 0.996 61.923 61.300 -0.623 0.000 1.430 358 I CB -0.186 37.463 38.000 -0.586 0.000 1.347 358 I HN -0.084 nan 8.210 nan 0.000 0.544 359 G N 7.981 116.785 108.800 0.006 0.000 2.563 359 G HA2 0.396 4.355 3.960 -0.001 0.000 0.283 359 G HA3 0.396 4.355 3.960 -0.001 0.000 0.283 359 G C -2.409 172.215 174.900 -0.460 0.000 1.309 359 G CA -0.960 44.129 45.100 -0.019 0.000 1.022 359 G HN 0.451 nan 8.290 nan 0.000 0.501 360 P HA 0.127 nan 4.420 nan 0.000 0.269 360 P C -2.638 174.143 177.300 -0.865 0.000 1.217 360 P CA -0.792 61.486 63.100 -1.371 0.000 0.783 360 P CB -0.145 31.146 31.700 -0.681 0.000 0.898 361 P HA 0.013 nan 4.420 nan 0.000 0.261 361 P C -0.334 176.744 177.300 -0.370 0.000 1.173 361 P CA 0.859 63.576 63.100 -0.639 0.000 0.760 361 P CB -0.164 30.985 31.700 -0.918 0.000 0.783 362 N N 0.685 119.247 118.700 -0.230 0.000 2.710 362 N HA 0.326 5.065 4.740 -0.001 0.000 0.257 362 N C -1.391 174.065 175.510 -0.090 0.000 1.327 362 N CA -0.954 52.013 53.050 -0.138 0.000 0.861 362 N CB 0.990 39.399 38.487 -0.130 0.000 1.532 362 N HN -0.048 nan 8.380 nan 0.000 0.499 363 N N 1.430 120.092 118.700 -0.063 0.000 2.707 363 N HA 0.305 5.044 4.740 -0.001 0.000 0.235 363 N C -0.922 174.566 175.510 -0.036 0.000 1.028 363 N CA -0.268 52.756 53.050 -0.043 0.000 0.906 363 N CB -0.051 38.416 38.487 -0.034 0.000 1.131 363 N HN 0.649 nan 8.380 nan 0.000 0.509 364 N N 1.413 120.094 118.700 -0.032 0.000 2.756 364 N HA -0.203 4.537 4.740 -0.001 0.000 0.248 364 N C 0.907 176.399 175.510 -0.031 0.000 1.062 364 N CA 1.145 54.181 53.050 -0.025 0.000 0.696 364 N CB -1.170 37.306 38.487 -0.019 0.000 0.946 364 N HN 0.857 nan 8.380 nan 0.000 0.548 365 G N -2.559 106.217 108.800 -0.041 0.000 2.241 365 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.244 365 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.244 365 G C 0.030 174.895 174.900 -0.059 0.000 0.998 365 G CA 0.260 45.331 45.100 -0.049 0.000 0.621 365 G HN 0.484 nan 8.290 nan 0.000 0.519 366 V N 3.049 122.930 119.914 -0.054 0.000 2.406 366 V HA 0.434 4.554 4.120 -0.001 0.000 0.272 366 V C 1.245 177.302 176.094 -0.061 0.000 1.043 366 V CA -0.680 61.587 62.300 -0.055 0.000 0.915 366 V CB 1.317 33.115 31.823 -0.041 0.000 0.988 366 V HN 0.347 nan 8.190 nan 0.000 0.466 367 I N 5.090 125.620 120.570 -0.066 0.000 2.752 367 I HA 0.036 4.206 4.170 -0.001 0.000 0.289 367 I C 0.907 177.022 176.117 -0.003 0.000 1.197 367 I CA 0.265 61.538 61.300 -0.044 0.000 1.432 367 I CB 0.119 38.096 38.000 -0.038 0.000 1.359 367 I HN 0.575 nan 8.210 nan 0.000 0.571 368 K N 5.738 126.162 120.400 0.040 0.000 2.202 368 K HA 0.114 4.434 4.320 -0.001 0.000 0.264 368 K C 0.238 176.918 176.600 0.133 0.000 1.010 368 K CA -0.442 55.889 56.287 0.073 0.000 0.940 368 K CB 0.712 33.244 32.500 0.053 0.000 0.983 368 K HN 0.560 nan 8.250 nan 0.000 0.475 369 E N 1.528 121.748 120.200 0.033 0.000 2.390 369 E HA 0.030 4.379 4.350 -0.001 0.000 0.261 369 E C -0.959 175.571 176.600 -0.115 0.000 1.076 369 E CA -0.483 55.871 56.400 -0.076 0.000 0.905 369 E CB 0.870 30.533 29.700 -0.062 0.000 0.984 369 E HN 0.135 nan 8.360 nan 0.000 0.427 370 V N 4.204 123.860 119.914 -0.430 0.000 2.368 370 V HA 0.123 4.242 4.120 -0.001 0.000 0.266 370 V C 0.315 176.252 176.094 -0.262 0.000 1.045 370 V CA -0.272 61.655 62.300 -0.621 0.000 0.899 370 V CB 0.518 31.569 31.823 -1.288 0.000 1.006 370 V HN 0.770 nan 8.190 nan 0.000 0.470 371 T N 4.166 118.664 114.554 -0.094 0.000 2.882 371 T HA 0.668 5.017 4.350 -0.001 0.000 0.287 371 T C -0.469 174.210 174.700 -0.035 0.000 0.992 371 T CA -0.727 61.346 62.100 -0.046 0.000 1.076 371 T CB 1.394 70.259 68.868 -0.004 0.000 0.961 371 T HN 0.211 nan 8.240 nan 0.000 0.490 372 I N 3.209 123.762 120.570 -0.028 0.000 2.354 372 I HA 0.372 4.542 4.170 -0.001 0.000 0.292 372 I C 0.269 176.384 176.117 -0.003 0.000 0.989 372 I CA -1.113 60.176 61.300 -0.018 0.000 1.188 372 I CB 1.062 39.052 38.000 -0.017 0.000 1.342 372 I HN 0.687 nan 8.210 nan 0.000 0.457 373 N N 3.657 122.358 118.700 0.001 0.000 2.445 373 N HA 0.301 5.041 4.740 -0.001 0.000 0.264 373 N C 1.110 176.625 175.510 0.008 0.000 1.227 373 N CA -0.244 52.809 53.050 0.006 0.000 0.963 373 N CB 1.303 39.795 38.487 0.009 0.000 1.188 373 N HN 0.686 nan 8.380 nan 0.000 0.491 374 A N 0.616 123.441 122.820 0.008 0.000 1.978 374 A HA -0.207 4.112 4.320 -0.001 0.000 0.220 374 A C 1.150 178.742 177.584 0.013 0.000 1.170 374 A CA 1.921 53.964 52.037 0.010 0.000 0.636 374 A CB -0.447 18.557 19.000 0.007 0.000 0.810 374 A HN 0.781 nan 8.150 nan 0.000 0.448 375 D N -1.447 118.959 120.400 0.010 0.000 2.328 375 D HA -0.014 4.625 4.640 -0.001 0.000 0.226 375 D C 0.898 177.211 176.300 0.021 0.000 1.066 375 D CA 1.320 55.328 54.000 0.013 0.000 0.861 375 D CB -1.010 39.793 40.800 0.004 0.000 0.912 375 D HN 0.765 nan 8.370 nan 0.000 0.521 376 T N -4.285 110.280 114.554 0.018 0.000 5.975 376 T HA -0.249 4.100 4.350 -0.001 0.000 0.273 376 T C 0.473 175.163 174.700 -0.016 0.000 2.189 376 T CA 1.288 63.393 62.100 0.009 0.000 3.660 376 T CB -3.095 65.797 68.868 0.040 0.000 1.044 376 T HN 0.558 nan 8.240 nan 0.000 1.166 377 T N -1.093 113.465 114.554 0.007 0.000 2.824 377 T HA 0.690 5.039 4.350 -0.001 0.000 0.277 377 T C 0.858 175.568 174.700 0.016 0.000 0.975 377 T CA -0.321 61.794 62.100 0.025 0.000 0.966 377 T CB 1.388 70.282 68.868 0.042 0.000 1.054 377 T HN 0.603 nan 8.240 nan 0.000 0.533 378 c N 0.332 118.961 118.600 0.048 0.000 2.358 378 c HA 0.896 5.466 4.570 -0.001 0.000 0.354 378 c C 1.358 175.497 174.090 0.081 0.000 1.183 378 c CA -0.361 56.004 56.329 0.059 0.000 2.150 378 c CB 0.775 43.348 42.510 0.104 0.000 2.361 378 c HN 1.192 nan 8.230 nan 0.000 0.535 379 G N 0.123 108.974 108.800 0.086 0.000 2.938 379 G HA2 0.462 4.421 3.960 -0.001 0.000 0.258 379 G HA3 0.462 4.421 3.960 -0.001 0.000 0.258 379 G C -0.115 174.859 174.900 0.123 0.000 1.356 379 G CA -0.221 44.923 45.100 0.074 0.000 1.052 379 G HN 0.747 nan 8.290 nan 0.000 0.550 380 N N 0.212 118.938 118.700 0.044 0.000 2.725 380 N HA -0.153 4.587 4.740 -0.001 0.000 0.249 380 N C 0.007 175.361 175.510 -0.260 0.000 1.103 380 N CA 1.325 54.353 53.050 -0.037 0.000 0.707 380 N CB -0.583 37.953 38.487 0.082 0.000 1.043 380 N HN 0.653 nan 8.380 nan 0.000 0.553 381 D N -3.802 116.499 120.400 -0.165 0.000 3.079 381 D HA -0.228 4.411 4.640 -0.001 0.000 0.214 381 D C -0.476 175.666 176.300 -0.263 0.000 1.145 381 D CA 1.032 54.905 54.000 -0.212 0.000 0.958 381 D CB -1.458 39.206 40.800 -0.226 0.000 1.117 381 D HN 0.559 nan 8.370 nan 0.000 0.416 382 W N 0.309 121.587 121.300 -0.037 0.000 2.335 382 W HA 0.375 5.035 4.660 -0.000 0.000 0.306 382 W C 1.700 178.206 176.519 -0.022 0.000 1.216 382 W CA -0.968 56.369 57.345 -0.014 0.000 1.237 382 W CB 0.779 30.170 29.460 -0.114 0.000 1.243 382 W HN -0.272 nan 8.180 nan 0.000 0.493 383 V N 2.489 122.466 119.914 0.104 0.000 2.358 383 V HA -0.260 3.860 4.120 -0.001 0.000 0.246 383 V C 1.246 177.393 176.094 0.088 0.000 1.047 383 V CA 0.697 62.956 62.300 -0.070 0.000 1.035 383 V CB -0.884 30.579 31.823 -0.599 0.000 0.658 383 V HN 0.866 nan 8.190 nan 0.000 0.452 384 c N 1.085 119.772 118.600 0.146 0.000 3.896 384 c HA -0.153 4.416 4.570 -0.001 0.000 0.300 384 c C 1.646 175.592 174.090 -0.240 0.000 1.322 384 c CA 0.474 56.850 56.329 0.078 0.000 2.130 384 c CB -2.533 40.002 42.510 0.041 0.000 1.363 384 c HN 0.683 nan 8.230 nan 0.000 0.642 385 E N 0.486 120.441 120.200 -0.409 0.000 2.160 385 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 385 E C 1.970 178.303 176.600 -0.444 0.000 0.991 385 E CA 1.657 57.456 56.400 -1.001 0.000 0.810 385 E CB -0.167 29.114 29.700 -0.698 0.000 0.742 385 E HN 0.975 nan 8.360 nan 0.000 0.466 386 H N -0.055 118.931 119.070 -0.140 0.000 2.543 386 H HA 0.065 4.620 4.556 -0.001 0.000 0.286 386 H C 1.276 176.738 175.328 0.223 0.000 1.037 386 H CA 0.922 57.034 56.048 0.107 0.000 1.250 386 H CB -0.009 29.747 29.762 -0.011 0.000 1.373 386 H HN 0.090 nan 8.280 nan 0.000 0.580 387 R N -0.700 119.575 120.500 -0.374 0.000 2.334 387 R HA 0.063 4.403 4.340 -0.001 0.000 0.212 387 R C -0.211 176.221 176.300 0.220 0.000 0.897 387 R CA -0.456 55.532 56.100 -0.187 0.000 1.056 387 R CB 0.317 30.337 30.300 -0.468 0.000 1.046 387 R HN 0.098 nan 8.270 nan 0.000 0.513 388 W N 2.111 123.442 121.300 0.052 0.000 2.251 388 W HA 0.121 4.781 4.660 -0.001 0.000 0.327 388 W C 1.584 178.181 176.519 0.130 0.000 1.361 388 W CA -1.026 56.372 57.345 0.089 0.000 1.234 388 W CB 0.010 29.545 29.460 0.125 0.000 1.212 388 W HN 0.070 nan 8.180 nan 0.000 0.557 389 R N 1.825 122.504 120.500 0.298 0.000 2.113 389 R HA -0.280 4.059 4.340 -0.001 0.000 0.244 389 R C 1.365 177.795 176.300 0.217 0.000 1.142 389 R CA 2.479 58.706 56.100 0.212 0.000 0.953 389 R CB 0.016 30.386 30.300 0.117 0.000 0.860 389 R HN 0.474 nan 8.270 nan 0.000 0.438 390 E N 0.260 120.598 120.200 0.230 0.000 2.118 390 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 390 E C 1.946 178.710 176.600 0.273 0.000 0.992 390 E CA 1.756 58.286 56.400 0.216 0.000 0.804 390 E CB -0.111 29.746 29.700 0.261 0.000 0.741 390 E HN 0.487 nan 8.360 nan 0.000 0.458 391 I N 0.446 121.211 120.570 0.326 0.000 2.339 391 I HA -0.139 4.030 4.170 -0.001 0.000 0.245 391 I C 2.461 178.733 176.117 0.257 0.000 1.096 391 I CA 0.834 62.294 61.300 0.268 0.000 1.408 391 I CB -0.260 37.882 38.000 0.237 0.000 1.092 391 I HN 0.075 nan 8.210 nan 0.000 0.423 392 R N 1.071 121.770 120.500 0.331 0.000 2.105 392 R HA -0.137 4.202 4.340 -0.001 0.000 0.239 392 R C 1.748 178.176 176.300 0.214 0.000 1.135 392 R CA 1.750 58.056 56.100 0.343 0.000 0.967 392 R CB -0.643 29.952 30.300 0.491 0.000 0.861 392 R HN 0.258 nan 8.270 nan 0.000 0.442 393 N N 0.074 118.904 118.700 0.217 0.000 2.331 393 N HA -0.035 4.705 4.740 -0.001 0.000 0.180 393 N C 1.485 177.171 175.510 0.294 0.000 1.019 393 N CA 1.145 54.337 53.050 0.237 0.000 0.881 393 N CB -0.050 38.548 38.487 0.184 0.000 0.972 393 N HN 0.247 nan 8.380 nan 0.000 0.435 394 M N -0.055 119.673 119.600 0.213 0.000 2.349 394 M HA 0.046 4.525 4.480 -0.001 0.000 0.266 394 M C 1.911 178.295 176.300 0.139 0.000 1.076 394 M CA 0.407 55.810 55.300 0.172 0.000 1.126 394 M CB -0.645 32.016 32.600 0.101 0.000 1.392 394 M HN -0.121 nan 8.290 nan 0.000 0.440 395 V N -0.810 119.134 119.914 0.051 0.000 2.343 395 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 395 V C 2.147 178.194 176.094 -0.078 0.000 1.051 395 V CA 1.604 63.827 62.300 -0.128 0.000 1.036 395 V CB -0.615 30.919 31.823 -0.481 0.000 0.654 395 V HN 0.600 nan 8.190 nan 0.000 0.451 396 W N -0.308 120.905 121.300 -0.145 0.000 2.388 396 W HA -0.240 4.419 4.660 -0.001 0.000 0.294 396 W C 2.462 178.877 176.519 -0.173 0.000 1.212 396 W CA 1.731 58.994 57.345 -0.138 0.000 1.271 396 W CB -0.403 29.021 29.460 -0.059 0.000 1.126 396 W HN 0.377 nan 8.180 nan 0.000 0.535 397 F N 1.632 121.521 119.950 -0.103 0.000 2.091 397 F HA -0.243 4.284 4.527 -0.001 0.000 0.299 397 F C 2.772 178.413 175.800 -0.265 0.000 1.103 397 F CA 2.727 60.574 58.000 -0.254 0.000 1.228 397 F CB -0.822 38.180 39.000 0.004 0.000 0.984 397 F HN -0.246 nan 8.300 nan 0.000 0.477 398 R N 0.200 120.766 120.500 0.109 0.000 2.096 398 R HA -0.182 4.157 4.340 -0.001 0.000 0.235 398 R C 2.056 178.230 176.300 -0.210 0.000 1.127 398 R CA 1.710 57.808 56.100 -0.004 0.000 0.968 398 R CB -0.349 29.940 30.300 -0.018 0.000 0.861 398 R HN 0.295 nan 8.270 nan 0.000 0.440 399 N N 0.023 118.515 118.700 -0.347 0.000 2.058 399 N HA -0.145 4.594 4.740 -0.001 0.000 0.191 399 N C 1.802 177.035 175.510 -0.461 0.000 1.037 399 N CA 1.514 54.297 53.050 -0.444 0.000 0.848 399 N CB -0.495 37.578 38.487 -0.688 0.000 1.021 399 N HN 0.027 nan 8.380 nan 0.000 0.422 400 V N 1.132 120.685 119.914 -0.601 0.000 2.332 400 V HA -0.165 3.954 4.120 -0.001 0.000 0.248 400 V C 2.212 178.081 176.094 -0.376 0.000 1.055 400 V CA 1.752 63.744 62.300 -0.513 0.000 1.038 400 V CB -0.728 30.710 31.823 -0.641 0.000 0.651 400 V HN 0.327 nan 8.190 nan 0.000 0.450 401 V N -1.893 117.774 119.914 -0.411 0.000 3.623 401 V HA 0.180 4.299 4.120 -0.001 0.000 0.271 401 V C 0.788 176.787 176.094 -0.160 0.000 1.248 401 V CA -0.013 62.114 62.300 -0.289 0.000 1.156 401 V CB -0.630 30.979 31.823 -0.358 0.000 0.870 401 V HN 0.475 nan 8.190 nan 0.000 0.453 402 D N 1.919 122.219 120.400 -0.165 0.000 2.793 402 D HA 0.274 4.913 4.640 -0.001 0.000 0.230 402 D C 1.488 177.745 176.300 -0.072 0.000 1.139 402 D CA 2.015 55.949 54.000 -0.109 0.000 0.838 402 D CB 0.092 40.815 40.800 -0.128 0.000 1.149 402 D HN 0.690 nan 8.370 nan 0.000 0.526 403 G N 3.399 112.175 108.800 -0.040 0.000 2.268 403 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.240 403 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.240 403 G C 0.247 175.144 174.900 -0.006 0.000 1.010 403 G CA 0.061 45.148 45.100 -0.023 0.000 0.618 403 G HN 0.596 nan 8.290 nan 0.000 0.516 404 Q N 1.937 121.732 119.800 -0.009 0.000 2.337 404 Q HA 0.341 4.680 4.340 -0.001 0.000 0.270 404 Q C -1.963 174.070 176.000 0.054 0.000 1.002 404 Q CA -1.111 54.700 55.803 0.014 0.000 0.888 404 Q CB 1.152 29.888 28.738 -0.003 0.000 1.222 404 Q HN 0.445 nan 8.270 nan 0.000 0.400 405 P HA 0.058 nan 4.420 nan 0.000 0.274 405 P C -0.428 176.979 177.300 0.179 0.000 1.231 405 P CA -0.453 62.716 63.100 0.115 0.000 0.790 405 P CB 0.457 32.217 31.700 0.101 0.000 0.951 406 F N 2.100 122.077 119.950 0.044 0.000 2.578 406 F HA 0.340 4.866 4.527 -0.001 0.000 0.376 406 F C -0.134 175.758 175.800 0.153 0.000 1.085 406 F CA 0.592 58.639 58.000 0.078 0.000 1.260 406 F CB -0.023 38.947 39.000 -0.051 0.000 1.095 406 F HN 0.543 nan 8.300 nan 0.000 0.573 407 A N 4.231 126.920 122.820 -0.218 0.000 2.602 407 A HA 0.474 4.793 4.320 -0.001 0.000 0.290 407 A C -0.190 177.369 177.584 -0.042 0.000 1.114 407 A CA -0.689 51.302 52.037 -0.077 0.000 0.683 407 A CB 0.773 19.807 19.000 0.056 0.000 1.281 407 A HN 0.843 nan 8.150 nan 0.000 0.416 408 N N 0.019 118.774 118.700 0.093 0.000 2.705 408 N HA -0.154 4.585 4.740 -0.001 0.000 0.255 408 N C -0.416 175.270 175.510 0.294 0.000 1.008 408 N CA 1.316 54.489 53.050 0.204 0.000 0.742 408 N CB -0.711 37.908 38.487 0.219 0.000 0.906 408 N HN 0.671 nan 8.380 nan 0.000 0.541 409 W N 0.952 122.305 121.300 0.089 0.000 2.190 409 W HA 0.400 5.060 4.660 -0.001 0.000 0.330 409 W C -0.271 176.451 176.519 0.337 0.000 1.299 409 W CA -0.450 57.008 57.345 0.189 0.000 1.215 409 W CB 0.456 30.033 29.460 0.195 0.000 1.147 409 W HN 0.339 nan 8.180 nan 0.000 0.563 410 W N 7.817 128.742 121.300 -0.625 0.000 3.256 410 W HA 0.368 5.028 4.660 -0.001 0.000 0.324 410 W C -1.809 174.352 176.519 -0.597 0.000 1.196 410 W CA -0.697 56.432 57.345 -0.361 0.000 1.206 410 W CB 1.095 30.488 29.460 -0.112 0.000 1.385 410 W HN 0.468 nan 8.180 nan 0.000 0.522 411 D N 2.172 121.764 120.400 -1.346 0.000 2.655 411 D HA 0.220 4.859 4.640 -0.001 0.000 0.229 411 D C -0.163 175.340 176.300 -1.329 0.000 1.229 411 D CA -0.707 52.550 54.000 -1.239 0.000 0.807 411 D CB 1.355 41.947 40.800 -0.347 0.000 1.514 411 D HN 0.308 nan 8.370 nan 0.000 0.444 412 N N 1.194 119.299 118.700 -0.991 0.000 2.362 412 N HA 0.145 4.884 4.740 -0.001 0.000 0.204 412 N C 1.326 176.748 175.510 -0.148 0.000 1.166 412 N CA 0.335 53.130 53.050 -0.425 0.000 0.831 412 N CB 0.121 38.551 38.487 -0.095 0.000 1.008 412 N HN 1.029 nan 8.380 nan 0.000 0.472 413 G N -1.405 107.296 108.800 -0.165 0.000 2.162 413 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.260 413 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.260 413 G C 0.373 175.261 174.900 -0.020 0.000 0.976 413 G CA 0.756 45.834 45.100 -0.037 0.000 0.655 413 G HN 0.671 nan 8.290 nan 0.000 0.533 414 S N -1.213 114.454 115.700 -0.055 0.000 3.733 414 S HA 0.383 4.853 4.470 -0.001 0.000 0.178 414 S C 0.846 175.345 174.600 -0.169 0.000 1.032 414 S CA 0.630 58.792 58.200 -0.063 0.000 1.191 414 S CB 0.208 63.463 63.200 0.092 0.000 1.657 414 S HN 0.190 nan 8.310 nan 0.000 0.863 415 N N 1.396 119.969 118.700 -0.211 0.000 2.291 415 N HA 0.316 5.055 4.740 -0.001 0.000 0.244 415 N C -1.169 174.212 175.510 -0.215 0.000 1.216 415 N CA 0.073 52.973 53.050 -0.250 0.000 0.879 415 N CB 1.127 39.439 38.487 -0.292 0.000 1.167 415 N HN 0.453 nan 8.380 nan 0.000 0.515 416 Q N 1.224 120.914 119.800 -0.184 0.000 2.341 416 Q HA 0.491 4.831 4.340 -0.001 0.000 0.268 416 Q C -0.536 175.360 176.000 -0.174 0.000 1.013 416 Q CA -0.612 55.148 55.803 -0.073 0.000 0.798 416 Q CB 2.595 31.366 28.738 0.057 0.000 1.253 416 Q HN 0.054 nan 8.270 nan 0.000 0.457 417 V N -1.186 118.711 119.914 -0.028 0.000 3.130 417 V HA 1.058 5.178 4.120 -0.001 0.000 0.310 417 V C -1.393 174.710 176.094 0.016 0.000 1.158 417 V CA -0.843 61.333 62.300 -0.206 0.000 1.029 417 V CB 1.965 33.600 31.823 -0.314 0.000 1.057 417 V HN 0.778 nan 8.190 nan 0.000 0.436 418 A N 2.161 124.853 122.820 -0.214 0.000 2.604 418 A HA 1.034 5.354 4.320 -0.001 0.000 0.295 418 A C -1.223 176.207 177.584 -0.257 0.000 1.067 418 A CA -0.213 51.663 52.037 -0.267 0.000 0.683 418 A CB 1.745 20.608 19.000 -0.227 0.000 1.281 418 A HN 2.440 nan 8.150 nan 0.000 0.407 419 F N -1.121 118.476 119.950 -0.587 0.000 2.744 419 F HA 0.831 5.357 4.527 -0.001 0.000 0.311 419 F C -0.061 175.493 175.800 -0.409 0.000 1.144 419 F CA -0.282 57.520 58.000 -0.330 0.000 0.938 419 F CB 0.743 39.685 39.000 -0.096 0.000 1.292 419 F HN 1.135 nan 8.300 nan 0.000 0.444 420 G N 0.532 109.395 108.800 0.105 0.000 2.788 420 G HA2 0.710 4.670 3.960 -0.001 0.000 0.293 420 G HA3 0.710 4.670 3.960 -0.001 0.000 0.293 420 G C -1.610 173.418 174.900 0.214 0.000 1.305 420 G CA -1.338 43.892 45.100 0.216 0.000 1.005 420 G HN 0.594 nan 8.290 nan 0.000 0.496 421 R N 0.188 120.795 120.500 0.179 0.000 2.412 421 R HA 0.497 4.836 4.340 -0.001 0.000 0.304 421 R C 0.858 177.199 176.300 0.068 0.000 1.066 421 R CA 0.037 56.221 56.100 0.138 0.000 0.923 421 R CB 0.431 30.804 30.300 0.122 0.000 1.156 421 R HN 1.277 nan 8.270 nan 0.000 0.513 422 G N 3.944 112.787 108.800 0.072 0.000 2.651 422 G HA2 -0.445 3.515 3.960 -0.001 0.000 0.315 422 G HA3 -0.445 3.515 3.960 -0.001 0.000 0.315 422 G C 0.294 175.214 174.900 0.033 0.000 1.258 422 G CA 0.759 45.886 45.100 0.044 0.000 1.002 422 G HN 0.799 nan 8.290 nan 0.000 0.551 423 N N -0.273 118.434 118.700 0.012 0.000 2.282 423 N HA 0.324 5.063 4.740 -0.001 0.000 0.240 423 N C 1.342 176.850 175.510 -0.003 0.000 1.182 423 N CA -0.416 52.636 53.050 0.002 0.000 0.874 423 N CB 0.473 38.961 38.487 0.003 0.000 1.126 423 N HN 0.393 nan 8.380 nan 0.000 0.516 424 R N 0.229 120.716 120.500 -0.023 0.000 2.335 424 R HA 0.283 4.622 4.340 -0.001 0.000 0.210 424 R C 0.363 176.607 176.300 -0.093 0.000 0.892 424 R CA 0.324 56.394 56.100 -0.050 0.000 1.048 424 R CB 1.382 31.623 30.300 -0.098 0.000 1.067 424 R HN 0.286 nan 8.270 nan 0.000 0.524 425 G N 0.410 109.161 108.800 -0.081 0.000 2.632 425 G HA2 0.497 4.456 3.960 -0.001 0.000 0.292 425 G HA3 0.497 4.456 3.960 -0.001 0.000 0.292 425 G C -2.085 172.937 174.900 0.202 0.000 1.465 425 G CA -0.450 44.610 45.100 -0.067 0.000 0.824 425 G HN -0.001 nan 8.290 nan 0.000 0.509 426 F N 0.436 120.446 119.950 0.101 0.000 2.608 426 F HA 0.810 5.336 4.527 -0.001 0.000 0.309 426 F C -1.218 174.506 175.800 -0.128 0.000 1.103 426 F CA -1.025 56.946 58.000 -0.049 0.000 0.954 426 F CB 2.067 40.989 39.000 -0.130 0.000 1.267 426 F HN 0.525 nan 8.300 nan 0.000 0.444 427 I N 5.519 125.490 120.570 -0.998 0.000 2.686 427 I HA 0.736 4.905 4.170 -0.001 0.000 0.295 427 I C -1.812 173.583 176.117 -1.204 0.000 1.114 427 I CA -0.752 59.969 61.300 -0.964 0.000 1.038 427 I CB 1.947 39.371 38.000 -0.961 0.000 1.238 427 I HN 0.385 nan 8.210 nan 0.000 0.420 428 V N 6.818 126.136 119.914 -0.993 0.000 2.638 428 V HA 0.541 4.660 4.120 -0.001 0.000 0.306 428 V C -1.005 174.725 176.094 -0.607 0.000 1.052 428 V CA -0.548 61.305 62.300 -0.746 0.000 0.885 428 V CB 1.693 33.035 31.823 -0.802 0.000 0.999 428 V HN 0.476 nan 8.190 nan 0.000 0.424 429 F N 2.239 122.119 119.950 -0.117 0.000 2.532 429 F HA 0.601 5.127 4.527 -0.001 0.000 0.321 429 F C 0.172 175.950 175.800 -0.036 0.000 1.089 429 F CA -0.726 57.250 58.000 -0.039 0.000 0.926 429 F CB 1.945 40.892 39.000 -0.088 0.000 1.168 429 F HN 0.485 nan 8.300 nan 0.000 0.459 430 N N 1.692 120.482 118.700 0.150 0.000 2.623 430 N HA 0.181 4.921 4.740 -0.001 0.000 0.256 430 N C -0.825 174.663 175.510 -0.036 0.000 1.045 430 N CA -0.241 52.827 53.050 0.030 0.000 0.863 430 N CB 0.375 38.873 38.487 0.019 0.000 1.182 430 N HN 0.543 nan 8.380 nan 0.000 0.523 431 N N 1.809 120.441 118.700 -0.115 0.000 2.273 431 N HA 0.156 4.896 4.740 -0.001 0.000 0.231 431 N C -0.947 174.400 175.510 -0.272 0.000 1.134 431 N CA -0.135 52.816 53.050 -0.164 0.000 0.856 431 N CB 0.258 38.632 38.487 -0.189 0.000 1.068 431 N HN 0.505 nan 8.380 nan 0.000 0.510 432 D N -0.756 119.396 120.400 -0.412 0.000 2.437 432 D HA 0.177 4.817 4.640 -0.001 0.000 0.259 432 D C -0.214 175.750 176.300 -0.561 0.000 1.118 432 D CA -0.168 53.382 54.000 -0.750 0.000 1.017 432 D CB 0.897 40.801 40.800 -1.493 0.000 1.120 432 D HN 0.066 nan 8.370 nan 0.000 0.541 433 D N 0.597 120.677 120.400 -0.534 0.000 2.561 433 D HA 0.156 4.796 4.640 -0.001 0.000 0.232 433 D C -0.267 176.186 176.300 0.255 0.000 1.198 433 D CA -0.069 53.915 54.000 -0.026 0.000 0.826 433 D CB 0.180 41.069 40.800 0.150 0.000 0.992 433 D HN 0.295 nan 8.370 nan 0.000 0.490 434 W N -0.890 120.431 121.300 0.036 0.000 2.988 434 W HA 0.372 5.032 4.660 -0.001 0.000 0.355 434 W C -0.533 176.017 176.519 0.053 0.000 1.233 434 W CA -0.978 56.392 57.345 0.041 0.000 1.176 434 W CB 0.215 29.698 29.460 0.039 0.000 1.477 434 W HN -0.424 nan 8.180 nan 0.000 0.582 435 Q N 1.919 121.926 119.800 0.346 0.000 2.395 435 Q HA 0.249 4.588 4.340 -0.001 0.000 0.271 435 Q C -0.957 175.187 176.000 0.239 0.000 1.026 435 Q CA -0.103 55.832 55.803 0.220 0.000 0.900 435 Q CB 1.430 30.277 28.738 0.182 0.000 1.266 435 Q HN 0.721 nan 8.270 nan 0.000 0.430 436 L N 1.512 122.829 121.223 0.157 0.000 2.319 436 L HA 0.365 4.705 4.340 -0.001 0.000 0.281 436 L C -0.774 176.176 176.870 0.132 0.000 1.005 436 L CA -0.083 54.857 54.840 0.167 0.000 0.828 436 L CB 1.409 43.548 42.059 0.133 0.000 1.227 436 L HN 0.455 nan 8.230 nan 0.000 0.415 437 S N 2.765 118.542 115.700 0.127 0.000 2.385 437 S HA 0.575 5.045 4.470 -0.001 0.000 0.191 437 S C -1.248 173.386 174.600 0.057 0.000 1.196 437 S CA -0.340 57.910 58.200 0.083 0.000 1.178 437 S CB 0.803 64.049 63.200 0.077 0.000 1.258 437 S HN 0.688 nan 8.310 nan 0.000 0.430 438 S N 1.410 117.119 115.700 0.015 0.000 2.588 438 S HA 0.610 5.080 4.470 -0.001 0.000 0.275 438 S C -0.844 173.710 174.600 -0.077 0.000 1.130 438 S CA -0.696 57.468 58.200 -0.059 0.000 0.855 438 S CB 2.065 65.144 63.200 -0.202 0.000 1.116 438 S HN 0.453 nan 8.310 nan 0.000 0.472 439 T N 2.651 117.142 114.554 -0.105 0.000 2.770 439 T HA 0.561 4.911 4.350 -0.001 0.000 0.297 439 T C -0.583 174.023 174.700 -0.157 0.000 0.997 439 T CA -0.283 61.755 62.100 -0.104 0.000 0.949 439 T CB -0.187 68.632 68.868 -0.082 0.000 0.941 439 T HN 0.304 nan 8.240 nan 0.000 0.457 440 L N 2.481 123.627 121.223 -0.129 0.000 2.333 440 L HA 0.599 4.939 4.340 -0.001 0.000 0.269 440 L C 0.094 176.841 176.870 -0.206 0.000 1.010 440 L CA -1.381 53.336 54.840 -0.204 0.000 0.818 440 L CB 1.596 43.523 42.059 -0.221 0.000 1.306 440 L HN 0.368 nan 8.230 nan 0.000 0.430 441 Q N 0.666 120.342 119.800 -0.206 0.000 2.295 441 Q HA 0.144 4.484 4.340 -0.001 0.000 0.259 441 Q C 0.570 176.264 176.000 -0.511 0.000 0.976 441 Q CA 0.104 55.763 55.803 -0.240 0.000 0.923 441 Q CB 1.312 29.987 28.738 -0.106 0.000 1.185 441 Q HN 0.719 nan 8.270 nan 0.000 0.410 442 T N 0.297 114.442 114.554 -0.682 0.000 3.037 442 T HA 0.259 4.608 4.350 -0.001 0.000 0.252 442 T C 1.300 175.695 174.700 -0.509 0.000 1.073 442 T CA 0.416 61.807 62.100 -1.182 0.000 1.091 442 T CB -0.054 68.249 68.868 -0.941 0.000 0.935 442 T HN 0.990 nan 8.240 nan 0.000 0.488 443 G N 1.033 109.668 108.800 -0.275 0.000 2.184 443 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.264 443 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.264 443 G C -0.212 174.626 174.900 -0.104 0.000 0.975 443 G CA 0.300 45.326 45.100 -0.122 0.000 0.642 443 G HN 0.563 nan 8.290 nan 0.000 0.536 444 L N 1.985 123.109 121.223 -0.165 0.000 2.360 444 L HA 0.604 4.944 4.340 -0.001 0.000 0.271 444 L C -1.399 175.440 176.870 -0.052 0.000 1.057 444 L CA -2.450 52.321 54.840 -0.115 0.000 0.803 444 L CB 0.785 42.691 42.059 -0.256 0.000 1.207 444 L HN -0.048 nan 8.230 nan 0.000 0.445 445 P HA 0.139 nan 4.420 nan 0.000 0.275 445 P C -0.096 177.251 177.300 0.078 0.000 1.228 445 P CA -0.442 62.684 63.100 0.043 0.000 0.786 445 P CB 0.573 32.307 31.700 0.057 0.000 0.927 446 G N 0.955 109.758 108.800 0.005 0.000 2.562 446 G HA2 0.389 4.349 3.960 -0.001 0.000 0.233 446 G HA3 0.389 4.349 3.960 -0.001 0.000 0.233 446 G C 0.334 175.232 174.900 -0.004 0.000 1.266 446 G CA 0.567 45.647 45.100 -0.033 0.000 0.852 446 G HN 0.863 nan 8.290 nan 0.000 0.581 447 G N -0.810 107.959 108.800 -0.052 0.000 2.369 447 G HA2 0.444 4.403 3.960 -0.001 0.000 0.293 447 G HA3 0.444 4.403 3.960 -0.001 0.000 0.293 447 G C -0.793 174.067 174.900 -0.066 0.000 1.301 447 G CA -0.298 44.751 45.100 -0.086 0.000 0.913 447 G HN 0.875 nan 8.290 nan 0.000 0.540 448 T N 1.054 115.541 114.554 -0.113 0.000 2.758 448 T HA 0.647 4.996 4.350 -0.001 0.000 0.285 448 T C -1.130 173.471 174.700 -0.165 0.000 0.981 448 T CA 0.045 62.147 62.100 0.003 0.000 0.965 448 T CB 0.702 69.604 68.868 0.057 0.000 0.927 448 T HN 0.391 nan 8.240 nan 0.000 0.448 449 Y N 0.533 120.808 120.300 -0.041 0.000 2.446 449 Y HA 0.472 5.022 4.550 -0.001 0.000 0.338 449 Y C 0.531 176.400 175.900 -0.051 0.000 1.055 449 Y CA -1.194 56.876 58.100 -0.051 0.000 1.101 449 Y CB 0.983 39.412 38.460 -0.053 0.000 1.221 449 Y HN 0.561 nan 8.280 nan 0.000 0.460 450 c N 2.580 121.230 118.600 0.084 0.000 2.388 450 c HA 0.196 4.766 4.570 -0.001 0.000 0.362 450 c C 0.576 174.676 174.090 0.017 0.000 1.266 450 c CA -1.103 55.239 56.329 0.023 0.000 2.028 450 c CB -0.363 42.137 42.510 -0.017 0.000 2.440 450 c HN 0.844 nan 8.230 nan 0.000 0.547 451 N N 1.555 120.258 118.700 0.004 0.000 2.442 451 N HA 0.132 4.871 4.740 -0.001 0.000 0.265 451 N C 0.912 176.399 175.510 -0.039 0.000 1.138 451 N CA -0.294 52.747 53.050 -0.015 0.000 0.956 451 N CB 1.040 39.510 38.487 -0.030 0.000 1.067 451 N HN 0.679 nan 8.380 nan 0.000 0.474 452 V N 2.709 122.606 119.914 -0.029 0.000 3.573 452 V HA -0.006 4.113 4.120 -0.001 0.000 0.270 452 V C 1.594 177.666 176.094 -0.036 0.000 1.221 452 V CA 0.410 62.712 62.300 0.004 0.000 1.163 452 V CB -0.619 31.276 31.823 0.120 0.000 0.847 452 V HN 0.635 nan 8.190 nan 0.000 0.468 453 I N 2.134 122.617 120.570 -0.146 0.000 2.429 453 I HA -0.009 4.161 4.170 -0.001 0.000 0.247 453 I C 2.689 178.698 176.117 -0.181 0.000 1.099 453 I CA 1.859 63.001 61.300 -0.264 0.000 1.422 453 I CB -1.082 36.514 38.000 -0.673 0.000 1.112 453 I HN 0.579 nan 8.210 nan 0.000 0.430 454 S N -0.267 115.342 115.700 -0.151 0.000 2.496 454 S HA 0.316 4.785 4.470 -0.001 0.000 0.224 454 S C 1.044 175.610 174.600 -0.057 0.000 0.996 454 S CA 0.379 58.521 58.200 -0.098 0.000 0.927 454 S CB 0.083 63.231 63.200 -0.087 0.000 0.774 454 S HN 0.435 nan 8.310 nan 0.000 0.524 455 G N -0.269 108.503 108.800 -0.047 0.000 2.664 455 G HA2 0.534 4.493 3.960 -0.001 0.000 0.303 455 G HA3 0.534 4.493 3.960 -0.001 0.000 0.303 455 G C -2.281 172.607 174.900 -0.020 0.000 1.243 455 G CA -0.587 44.496 45.100 -0.028 0.000 0.826 455 G HN 0.157 nan 8.290 nan 0.000 0.498 456 D N -0.435 119.952 120.400 -0.022 0.000 2.523 456 D HA 0.350 4.990 4.640 -0.001 0.000 0.236 456 D C -0.908 175.371 176.300 -0.035 0.000 1.094 456 D CA -0.548 53.435 54.000 -0.028 0.000 0.942 456 D CB 2.748 43.530 40.800 -0.031 0.000 1.447 456 D HN 0.397 nan 8.370 nan 0.000 0.479 457 K N 1.209 121.582 120.400 -0.045 0.000 2.267 457 K HA 0.384 4.704 4.320 -0.001 0.000 0.282 457 K C -1.323 175.249 176.600 -0.046 0.000 1.078 457 K CA -0.372 55.889 56.287 -0.044 0.000 0.903 457 K CB 0.593 33.066 32.500 -0.045 0.000 1.111 457 K HN 0.077 nan 8.250 nan 0.000 0.475 458 V N 5.348 125.239 119.914 -0.038 0.000 2.304 458 V HA 0.358 4.477 4.120 -0.001 0.000 0.278 458 V C 0.877 176.953 176.094 -0.031 0.000 1.018 458 V CA 0.242 62.521 62.300 -0.035 0.000 0.814 458 V CB 0.232 32.038 31.823 -0.028 0.000 1.021 458 V HN 1.196 nan 8.190 nan 0.000 0.440 459 G N 5.593 114.375 108.800 -0.031 0.000 2.557 459 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.292 459 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.292 459 G C 0.539 175.422 174.900 -0.030 0.000 1.162 459 G CA 0.882 45.965 45.100 -0.027 0.000 0.964 459 G HN 0.784 nan 8.290 nan 0.000 0.541 460 N N 1.186 119.869 118.700 -0.029 0.000 2.389 460 N HA 0.496 5.235 4.740 -0.001 0.000 0.260 460 N C -0.142 175.348 175.510 -0.033 0.000 1.191 460 N CA 0.868 53.898 53.050 -0.032 0.000 0.885 460 N CB 0.249 38.719 38.487 -0.029 0.000 1.162 460 N HN 0.947 nan 8.380 nan 0.000 0.512 461 S N -1.763 113.917 115.700 -0.032 0.000 2.625 461 S HA 0.553 5.023 4.470 -0.001 0.000 0.271 461 S C -0.978 173.604 174.600 -0.030 0.000 1.161 461 S CA -0.921 57.260 58.200 -0.031 0.000 0.820 461 S CB 1.011 64.195 63.200 -0.026 0.000 1.137 461 S HN 0.054 nan 8.310 nan 0.000 0.470 462 c N 1.565 120.149 118.600 -0.027 0.000 2.391 462 c HA 0.748 5.318 4.570 -0.001 0.000 0.339 462 c C 2.089 176.165 174.090 -0.023 0.000 1.205 462 c CA 0.012 56.326 56.329 -0.025 0.000 1.937 462 c CB 0.986 43.483 42.510 -0.020 0.000 2.341 462 c HN 1.094 nan 8.230 nan 0.000 0.516 463 T N -1.117 113.423 114.554 -0.023 0.000 3.065 463 T HA 0.304 4.653 4.350 -0.001 0.000 0.252 463 T C 0.823 175.510 174.700 -0.022 0.000 1.099 463 T CA 0.718 62.805 62.100 -0.021 0.000 1.063 463 T CB 0.125 68.981 68.868 -0.019 0.000 0.948 463 T HN 0.883 nan 8.240 nan 0.000 0.506 464 G N 0.897 109.683 108.800 -0.025 0.000 3.264 464 G HA2 0.655 4.614 3.960 -0.001 0.000 0.168 464 G HA3 0.655 4.614 3.960 -0.001 0.000 0.168 464 G C -0.667 174.218 174.900 -0.025 0.000 1.145 464 G CA -1.221 43.862 45.100 -0.028 0.000 0.855 464 G HN 0.399 nan 8.290 nan 0.000 0.629 465 I N 1.013 121.566 120.570 -0.028 0.000 2.692 465 I HA 0.175 4.345 4.170 -0.001 0.000 0.284 465 I C 0.103 176.213 176.117 -0.011 0.000 1.159 465 I CA 0.497 61.784 61.300 -0.021 0.000 1.423 465 I CB 0.784 38.771 38.000 -0.022 0.000 1.380 465 I HN 0.166 nan 8.210 nan 0.000 0.580 466 K N 4.571 124.966 120.400 -0.008 0.000 2.259 466 K HA 0.662 4.981 4.320 -0.001 0.000 0.252 466 K C -1.374 175.227 176.600 0.001 0.000 0.936 466 K CA -0.746 55.546 56.287 0.008 0.000 0.810 466 K CB 2.622 35.126 32.500 0.007 0.000 1.143 466 K HN 0.255 nan 8.250 nan 0.000 0.427 467 V N 3.233 123.160 119.914 0.021 0.000 2.407 467 V HA 0.156 4.275 4.120 -0.001 0.000 0.291 467 V C -1.214 174.889 176.094 0.016 0.000 1.018 467 V CA -0.922 61.345 62.300 -0.055 0.000 0.842 467 V CB 0.881 32.630 31.823 -0.123 0.000 0.996 467 V HN 0.643 nan 8.190 nan 0.000 0.426 468 Y N 5.790 126.030 120.300 -0.100 0.000 2.404 468 Y HA 0.591 5.141 4.550 -0.001 0.000 0.344 468 Y C -0.288 175.564 175.900 -0.080 0.000 0.995 468 Y CA -0.480 57.585 58.100 -0.058 0.000 1.201 468 Y CB 1.264 39.679 38.460 -0.074 0.000 1.151 468 Y HN 0.402 nan 8.280 nan 0.000 0.517 469 V N 7.240 126.692 119.914 -0.770 0.000 2.394 469 V HA 0.335 4.455 4.120 -0.001 0.000 0.282 469 V C 0.051 175.638 176.094 -0.846 0.000 1.031 469 V CA -0.534 61.394 62.300 -0.619 0.000 0.881 469 V CB 1.205 32.888 31.823 -0.233 0.000 0.982 469 V HN 0.937 nan 8.190 nan 0.000 0.451 470 S N 3.192 118.538 115.700 -0.590 0.000 2.655 470 S HA 0.157 4.627 4.470 -0.001 0.000 0.265 470 S C 1.520 176.022 174.600 -0.163 0.000 1.240 470 S CA 0.079 58.088 58.200 -0.319 0.000 0.986 470 S CB 1.136 64.267 63.200 -0.115 0.000 0.985 470 S HN 0.988 nan 8.310 nan 0.000 0.562 471 S N 0.273 115.936 115.700 -0.062 0.000 2.419 471 S HA -0.189 4.281 4.470 -0.001 0.000 0.235 471 S C 1.043 175.615 174.600 -0.047 0.000 1.019 471 S CA 1.222 59.401 58.200 -0.036 0.000 0.982 471 S CB -0.925 62.272 63.200 -0.004 0.000 0.789 471 S HN 0.921 nan 8.310 nan 0.000 0.490 472 D N 0.417 120.782 120.400 -0.058 0.000 2.328 472 D HA 0.258 4.898 4.640 -0.001 0.000 0.221 472 D C 1.301 177.549 176.300 -0.085 0.000 1.072 472 D CA 0.437 54.403 54.000 -0.057 0.000 0.850 472 D CB -0.667 40.107 40.800 -0.043 0.000 0.922 472 D HN 0.555 nan 8.370 nan 0.000 0.516 473 G N -0.615 108.115 108.800 -0.117 0.000 2.148 473 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.254 473 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.254 473 G C 0.318 175.089 174.900 -0.214 0.000 0.981 473 G CA 0.481 45.485 45.100 -0.160 0.000 0.670 473 G HN 0.499 nan 8.290 nan 0.000 0.528 474 T N 0.481 114.920 114.554 -0.192 0.000 2.907 474 T HA 0.789 5.138 4.350 -0.001 0.000 0.284 474 T C 0.295 174.850 174.700 -0.241 0.000 1.004 474 T CA 0.738 62.720 62.100 -0.197 0.000 1.063 474 T CB 1.600 70.388 68.868 -0.133 0.000 0.992 474 T HN 1.575 nan 8.240 nan 0.000 0.483 475 A N 2.436 125.105 122.820 -0.250 0.000 2.606 475 A HA 0.685 5.005 4.320 -0.001 0.000 0.293 475 A C -1.189 176.168 177.584 -0.379 0.000 1.082 475 A CA -0.778 51.044 52.037 -0.358 0.000 0.685 475 A CB 1.633 20.323 19.000 -0.516 0.000 1.284 475 A HN 0.689 nan 8.150 nan 0.000 0.408 476 Q N 0.388 119.931 119.800 -0.429 0.000 2.256 476 Q HA 0.676 5.015 4.340 -0.001 0.000 0.257 476 Q C -1.969 173.707 176.000 -0.540 0.000 0.936 476 Q CA -0.285 55.326 55.803 -0.320 0.000 0.903 476 Q CB 0.758 29.397 28.738 -0.166 0.000 1.263 476 Q HN 0.530 nan 8.270 nan 0.000 0.440 477 F N 1.289 121.185 119.950 -0.089 0.000 2.477 477 F HA 0.377 4.904 4.527 -0.001 0.000 0.335 477 F C -0.347 175.424 175.800 -0.048 0.000 1.130 477 F CA -0.627 57.332 58.000 -0.069 0.000 0.948 477 F CB 2.402 41.354 39.000 -0.080 0.000 1.154 477 F HN 0.349 nan 8.300 nan 0.000 0.439 478 S N 4.949 120.717 115.700 0.113 0.000 2.640 478 S HA 0.678 5.147 4.470 -0.001 0.000 0.320 478 S C -0.612 174.036 174.600 0.081 0.000 1.097 478 S CA -0.477 57.770 58.200 0.078 0.000 1.092 478 S CB 0.535 63.757 63.200 0.036 0.000 0.988 478 S HN 0.407 nan 8.310 nan 0.000 0.470 479 I N 2.243 122.864 120.570 0.085 0.000 2.478 479 I HA 0.333 4.502 4.170 -0.001 0.000 0.287 479 I C 0.161 176.315 176.117 0.061 0.000 1.042 479 I CA -0.498 60.842 61.300 0.066 0.000 1.067 479 I CB 2.025 40.063 38.000 0.064 0.000 1.233 479 I HN 0.492 nan 8.210 nan 0.000 0.431 480 S N 4.446 120.176 115.700 0.051 0.000 2.584 480 S HA 0.112 4.582 4.470 -0.001 0.000 0.273 480 S C 1.343 175.967 174.600 0.040 0.000 1.311 480 S CA -0.633 57.598 58.200 0.052 0.000 1.034 480 S CB 0.649 63.876 63.200 0.044 0.000 0.939 480 S HN 0.766 nan 8.310 nan 0.000 0.513 481 N N 2.442 121.165 118.700 0.038 0.000 2.573 481 N HA -0.096 4.643 4.740 -0.001 0.000 0.187 481 N C 1.000 176.523 175.510 0.023 0.000 1.107 481 N CA 1.000 54.057 53.050 0.012 0.000 0.918 481 N CB -0.339 38.150 38.487 0.004 0.000 0.966 481 N HN 0.531 nan 8.380 nan 0.000 0.448 482 S N -1.479 114.241 115.700 0.033 0.000 2.554 482 S HA 0.493 4.962 4.470 -0.001 0.000 0.226 482 S C 0.744 175.361 174.600 0.028 0.000 0.980 482 S CA -0.478 57.740 58.200 0.030 0.000 0.939 482 S CB 0.004 63.223 63.200 0.031 0.000 0.832 482 S HN 0.471 nan 8.310 nan 0.000 0.486 483 A N 1.834 124.672 122.820 0.030 0.000 2.498 483 A HA 0.242 4.562 4.320 -0.001 0.000 0.239 483 A C 1.348 178.951 177.584 0.032 0.000 1.068 483 A CA -0.073 51.979 52.037 0.026 0.000 0.766 483 A CB 0.062 19.079 19.000 0.027 0.000 1.003 483 A HN 0.554 nan 8.150 nan 0.000 0.497 484 Q N 0.686 120.497 119.800 0.018 0.000 2.077 484 Q HA -0.184 4.155 4.340 -0.001 0.000 0.206 484 Q C -0.519 175.512 176.000 0.051 0.000 0.989 484 Q CA 1.858 57.673 55.803 0.020 0.000 0.853 484 Q CB 0.045 28.780 28.738 -0.004 0.000 0.907 484 Q HN 0.782 nan 8.270 nan 0.000 0.418 485 D N 0.873 121.299 120.400 0.044 0.000 2.454 485 D HA 0.178 4.817 4.640 -0.001 0.000 0.247 485 D C -2.287 174.087 176.300 0.123 0.000 1.129 485 D CA -1.499 52.564 54.000 0.106 0.000 0.877 485 D CB 1.613 42.382 40.800 -0.052 0.000 1.082 485 D HN 0.248 nan 8.370 nan 0.000 0.537 486 P HA 0.063 nan 4.420 nan 0.000 0.269 486 P C -0.756 176.717 177.300 0.289 0.000 1.601 486 P CA -0.104 63.111 63.100 0.191 0.000 0.831 486 P CB -0.765 31.016 31.700 0.136 0.000 1.688 487 F N -1.523 118.383 119.950 -0.075 0.000 2.654 487 F HA 0.663 5.189 4.527 -0.001 0.000 0.308 487 F C -1.616 174.044 175.800 -0.234 0.000 1.108 487 F CA -2.259 55.597 58.000 -0.239 0.000 0.957 487 F CB 0.747 39.494 39.000 -0.422 0.000 1.309 487 F HN -0.313 nan 8.300 nan 0.000 0.446 488 I N 2.095 122.483 120.570 -0.303 0.000 2.608 488 I HA 0.812 4.981 4.170 -0.001 0.000 0.295 488 I C -0.867 175.073 176.117 -0.295 0.000 1.049 488 I CA -1.200 59.939 61.300 -0.268 0.000 1.063 488 I CB 2.116 40.100 38.000 -0.026 0.000 1.248 488 I HN 1.030 nan 8.210 nan 0.000 0.424 489 A N 7.290 129.991 122.820 -0.197 0.000 2.427 489 A HA 0.899 5.218 4.320 -0.001 0.000 0.298 489 A C -0.953 176.676 177.584 0.075 0.000 1.036 489 A CA -0.465 51.508 52.037 -0.108 0.000 0.701 489 A CB 1.396 20.278 19.000 -0.197 0.000 1.250 489 A HN 0.703 nan 8.150 nan 0.000 0.412 490 I N -0.128 120.549 120.570 0.178 0.000 2.865 490 I HA 0.948 5.118 4.170 -0.001 0.000 0.302 490 I C -0.646 175.562 176.117 0.153 0.000 1.140 490 I CA -1.018 60.333 61.300 0.086 0.000 1.021 490 I CB 2.462 40.457 38.000 -0.009 0.000 1.233 490 I HN 0.954 nan 8.210 nan 0.000 0.427 491 H N 2.152 121.313 119.070 0.153 0.000 2.960 491 H HA 0.720 5.275 4.556 -0.001 0.000 0.323 491 H C 0.434 175.875 175.328 0.189 0.000 1.326 491 H CA -0.387 55.681 56.048 0.032 0.000 1.124 491 H CB 1.071 30.724 29.762 -0.181 0.000 1.853 491 H HN 0.670 nan 8.280 nan 0.000 0.536 492 A N 0.128 123.136 122.820 0.312 0.000 1.971 492 A HA -0.252 4.067 4.320 -0.001 0.000 0.222 492 A C 1.397 179.144 177.584 0.271 0.000 1.182 492 A CA 2.186 54.389 52.037 0.276 0.000 0.649 492 A CB -0.877 18.205 19.000 0.136 0.000 0.818 492 A HN 0.797 nan 8.150 nan 0.000 0.458 493 E N -0.336 120.123 120.200 0.432 0.000 2.465 493 E HA 0.033 4.383 4.350 -0.001 0.000 0.191 493 E C 1.170 177.885 176.600 0.192 0.000 1.053 493 E CA 0.498 57.102 56.400 0.341 0.000 0.869 493 E CB 0.074 30.054 29.700 0.466 0.000 0.977 493 E HN 0.746 nan 8.360 nan 0.000 0.483 494 S N 0.208 115.922 115.700 0.024 0.000 2.554 494 S HA 0.114 4.584 4.470 -0.001 0.000 0.226 494 S C 0.538 175.110 174.600 -0.046 0.000 0.980 494 S CA -0.484 57.672 58.200 -0.074 0.000 0.939 494 S CB 0.105 63.154 63.200 -0.252 0.000 0.832 494 S HN -0.014 nan 8.310 nan 0.000 0.486 495 K N 1.813 122.147 120.400 -0.110 0.000 2.298 495 K HA 0.370 4.690 4.320 -0.001 0.000 0.280 495 K C -0.255 176.194 176.600 -0.251 0.000 1.032 495 K CA -0.497 55.522 56.287 -0.448 0.000 0.958 495 K CB 0.463 32.584 32.500 -0.633 0.000 0.978 495 K HN 0.307 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.075 121.223 -0.247 0.000 2.949 496 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 496 L CA 0.000 54.756 54.840 -0.140 0.000 0.813 496 L CB 0.000 41.998 42.059 -0.102 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502