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 1g5g_1_E DATA FIRST_RESID 33 DATA SEQUENCE DGRPLAAAGI VVTGDKAVNI YTSSQTGSII IKLLPNMPKD KEAcAKAPLE DATA SEQUENCE AYNRTLTTLL TPLGDSIRRI QESXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGL SQLAVAVGKM DATA SEQUENCE QQFVNDQFNK TAQELDcIKI TQQVGVELNL YLTELTTVFG PQITSPALTQ DATA SEQUENCE LTIQALYNLA GGNMDYLLTK LGVGNNQLSS LISSGLITGN PILYDSQTQL DATA SEQUENCE LGIQVTLPSV GNLNNMRATY LETLSVSTTK GFASALVPKV VTQVGSVIEE DATA SEQUENCE LDTSYcIETD LDLYcTRIVT FPMSPGIYSc LSGNTSAcMY SKTEGALTTP DATA SEQUENCE YMTLKGSVIA NcKMTTcRcA DPPGIISQNY GEAVSLIDRQ ScNILSLDGI DATA SEQUENCE TLRLSGEFDA TYQKNISIQD SQ 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 33 D HA 0.000 nan 4.640 nan 0.000 0.175 33 D C 0.000 176.317 176.300 0.029 0.000 2.045 33 D CA 0.000 54.021 54.000 0.034 0.000 0.868 33 D CB 0.000 40.822 40.800 0.037 0.000 0.688 34 G N 0.906 109.722 108.800 0.027 0.000 2.632 34 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.224 34 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.224 34 G C -0.301 174.613 174.900 0.025 0.000 1.341 34 G CA -0.119 44.995 45.100 0.024 0.000 0.880 34 G HN 0.202 nan 8.290 nan 0.000 0.566 35 R N 0.520 121.034 120.500 0.023 0.000 2.668 35 R HA 0.229 4.569 4.340 -0.000 0.000 0.435 35 R C -1.449 174.866 176.300 0.026 0.000 1.059 35 R CA -0.355 55.760 56.100 0.025 0.000 1.073 35 R CB 1.277 31.591 30.300 0.024 0.000 1.401 35 R HN 0.436 nan 8.270 nan 0.000 0.590 36 P HA -0.110 nan 4.420 nan 0.000 0.225 36 P C 1.231 178.551 177.300 0.034 0.000 1.156 36 P CA 0.855 63.972 63.100 0.027 0.000 0.787 36 P CB 0.160 31.873 31.700 0.023 0.000 0.802 37 L N -3.731 117.512 121.223 0.032 0.000 2.610 37 L HA 0.297 4.637 4.340 -0.000 0.000 0.232 37 L C 2.156 179.049 176.870 0.039 0.000 1.149 37 L CA 0.952 55.814 54.840 0.036 0.000 0.872 37 L CB -1.237 40.837 42.059 0.025 0.000 0.992 37 L HN -0.208 nan 8.230 nan 0.000 0.447 38 A N 1.106 123.948 122.820 0.036 0.000 1.969 38 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 38 A C 2.574 180.187 177.584 0.048 0.000 1.169 38 A CA 1.466 53.525 52.037 0.037 0.000 0.635 38 A CB -0.497 18.522 19.000 0.031 0.000 0.810 38 A HN 0.568 nan 8.150 nan 0.000 0.445 39 A N -0.230 122.621 122.820 0.052 0.000 1.969 39 A HA 0.231 4.551 4.320 -0.000 0.000 0.218 39 A C 2.330 179.971 177.584 0.095 0.000 1.169 39 A CA 1.699 53.774 52.037 0.062 0.000 0.635 39 A CB -0.699 18.334 19.000 0.056 0.000 0.810 39 A HN 1.001 nan 8.150 nan 0.000 0.445 40 A N -2.075 120.811 122.820 0.110 0.000 2.119 40 A HA 0.388 4.708 4.320 -0.000 0.000 0.216 40 A C 1.847 179.542 177.584 0.184 0.000 1.152 40 A CA 1.416 53.568 52.037 0.191 0.000 0.708 40 A CB -0.657 18.432 19.000 0.148 0.000 0.805 40 A HN 1.816 nan 8.150 nan 0.000 0.460 41 G N -1.802 107.057 108.800 0.098 0.000 2.179 41 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.220 41 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.220 41 G C -0.066 174.840 174.900 0.011 0.000 0.990 41 G CA 0.021 45.163 45.100 0.069 0.000 0.646 41 G HN 0.333 nan 8.290 nan 0.000 0.517 42 I N 1.808 122.377 120.570 -0.001 0.000 2.294 42 I HA 0.461 4.630 4.170 -0.000 0.000 0.295 42 I C 0.678 176.802 176.117 0.011 0.000 1.098 42 I CA -0.368 60.925 61.300 -0.013 0.000 1.277 42 I CB 1.399 39.387 38.000 -0.020 0.000 1.434 42 I HN -0.032 nan 8.210 nan 0.000 0.498 43 V N 7.825 127.748 119.914 0.015 0.000 2.509 43 V HA 0.303 4.423 4.120 -0.000 0.000 0.284 43 V C -0.046 176.067 176.094 0.032 0.000 1.047 43 V CA -0.529 61.786 62.300 0.025 0.000 0.952 43 V CB 1.985 33.824 31.823 0.026 0.000 0.988 43 V HN 0.338 nan 8.190 nan 0.000 0.469 44 V N 6.644 126.580 119.914 0.036 0.000 2.320 44 V HA 0.143 4.263 4.120 -0.000 0.000 0.265 44 V C 1.419 177.545 176.094 0.053 0.000 1.048 44 V CA 0.505 62.835 62.300 0.049 0.000 0.865 44 V CB 0.992 32.843 31.823 0.046 0.000 1.043 44 V HN 1.143 nan 8.190 nan 0.000 0.474 45 T N 1.385 115.979 114.554 0.068 0.000 2.951 45 T HA 0.189 4.539 4.350 -0.000 0.000 0.268 45 T C 0.825 175.543 174.700 0.030 0.000 1.073 45 T CA 0.786 62.915 62.100 0.047 0.000 1.134 45 T CB 0.181 69.078 68.868 0.048 0.000 0.884 45 T HN 0.920 nan 8.240 nan 0.000 0.479 46 G N -0.152 108.696 108.800 0.080 0.000 2.579 46 G HA2 0.460 4.420 3.960 -0.000 0.000 0.292 46 G HA3 0.460 4.420 3.960 -0.000 0.000 0.292 46 G C -2.540 172.444 174.900 0.140 0.000 1.484 46 G CA -0.604 44.525 45.100 0.049 0.000 0.813 46 G HN 0.195 nan 8.290 nan 0.000 0.515 47 D N 0.057 120.508 120.400 0.086 0.000 2.646 47 D HA 0.662 5.302 4.640 -0.000 0.000 0.245 47 D C -0.704 175.640 176.300 0.074 0.000 1.099 47 D CA -0.193 53.866 54.000 0.098 0.000 0.849 47 D CB 2.120 42.953 40.800 0.055 0.000 1.448 47 D HN 0.423 nan 8.370 nan 0.000 0.489 48 K N 1.054 121.508 120.400 0.090 0.000 2.556 48 K HA 0.693 5.013 4.320 -0.000 0.000 0.274 48 K C -0.834 175.776 176.600 0.017 0.000 0.966 48 K CA -0.968 55.347 56.287 0.047 0.000 0.865 48 K CB 2.010 34.555 32.500 0.075 0.000 1.444 48 K HN 0.415 nan 8.250 nan 0.000 0.433 49 A N 0.986 123.790 122.820 -0.028 0.000 2.257 49 A HA 0.708 5.028 4.320 -0.000 0.000 0.289 49 A C -0.609 176.926 177.584 -0.081 0.000 1.095 49 A CA -0.468 51.540 52.037 -0.049 0.000 0.836 49 A CB 0.700 19.663 19.000 -0.061 0.000 1.111 49 A HN 0.312 nan 8.150 nan 0.000 0.497 50 V N 1.601 121.468 119.914 -0.077 0.000 2.735 50 V HA 0.473 4.593 4.120 -0.000 0.000 0.310 50 V C -0.676 175.370 176.094 -0.080 0.000 1.061 50 V CA -0.820 61.430 62.300 -0.083 0.000 0.913 50 V CB 1.823 33.620 31.823 -0.044 0.000 1.005 50 V HN 0.997 nan 8.190 nan 0.000 0.428 51 N N 3.961 122.614 118.700 -0.078 0.000 2.308 51 N HA 0.518 5.258 4.740 -0.000 0.000 0.283 51 N C -1.634 173.946 175.510 0.117 0.000 1.105 51 N CA -0.797 52.255 53.050 0.003 0.000 0.840 51 N CB 2.673 41.157 38.487 -0.005 0.000 1.633 51 N HN 0.295 nan 8.380 nan 0.000 0.476 52 I N 1.584 122.222 120.570 0.114 0.000 2.612 52 I HA 0.345 4.515 4.170 -0.000 0.000 0.295 52 I C -0.032 176.221 176.117 0.227 0.000 1.011 52 I CA -0.278 61.095 61.300 0.122 0.000 1.326 52 I CB -0.114 37.901 38.000 0.025 0.000 1.427 52 I HN 0.606 nan 8.210 nan 0.000 0.537 53 Y N 1.299 121.646 120.300 0.079 0.000 2.625 53 Y HA 0.771 5.321 4.550 -0.000 0.000 0.338 53 Y C -1.167 174.759 175.900 0.042 0.000 1.123 53 Y CA -1.060 57.086 58.100 0.076 0.000 1.046 53 Y CB 1.551 40.081 38.460 0.117 0.000 1.299 53 Y HN 0.435 nan 8.280 nan 0.000 0.464 54 T N 1.297 115.880 114.554 0.048 0.000 3.172 54 T HA 0.250 4.600 4.350 -0.000 0.000 0.320 54 T C -0.972 173.785 174.700 0.096 0.000 1.085 54 T CA -0.929 61.135 62.100 -0.061 0.000 1.052 54 T CB 1.328 70.164 68.868 -0.054 0.000 1.107 54 T HN 0.635 nan 8.240 nan 0.000 0.458 55 S N 2.239 118.001 115.700 0.103 0.000 4.053 55 S HA 0.058 4.528 4.470 -0.000 0.000 0.184 55 S C 1.707 176.335 174.600 0.047 0.000 1.324 55 S CA -0.218 58.044 58.200 0.104 0.000 0.956 55 S CB -0.483 62.782 63.200 0.109 0.000 1.503 55 S HN 0.816 nan 8.310 nan 0.000 0.440 56 S N 0.749 116.471 115.700 0.037 0.000 2.441 56 S HA 0.103 4.573 4.470 -0.000 0.000 0.224 56 S C 0.783 175.393 174.600 0.016 0.000 1.043 56 S CA -0.252 57.959 58.200 0.018 0.000 0.948 56 S CB -0.046 63.160 63.200 0.011 0.000 0.810 56 S HN 0.493 nan 8.310 nan 0.000 0.504 57 Q N 1.267 121.077 119.800 0.016 0.000 2.492 57 Q HA 0.443 4.783 4.340 -0.000 0.000 0.238 57 Q C -0.143 175.863 176.000 0.010 0.000 1.045 57 Q CA 0.489 56.296 55.803 0.008 0.000 0.934 57 Q CB 0.912 29.648 28.738 -0.003 0.000 1.276 57 Q HN 0.505 nan 8.270 nan 0.000 0.521 58 T N -1.779 112.780 114.554 0.009 0.000 2.802 58 T HA 0.718 5.068 4.350 -0.000 0.000 0.311 58 T C -1.114 173.595 174.700 0.014 0.000 1.405 58 T CA -0.026 62.081 62.100 0.012 0.000 1.016 58 T CB 1.967 70.843 68.868 0.013 0.000 1.352 58 T HN 0.752 nan 8.240 nan 0.000 0.498 59 G N 0.731 109.542 108.800 0.018 0.000 2.623 59 G HA2 0.635 4.595 3.960 -0.000 0.000 0.290 59 G HA3 0.635 4.595 3.960 -0.000 0.000 0.290 59 G C -1.184 173.731 174.900 0.025 0.000 1.437 59 G CA -0.184 44.930 45.100 0.023 0.000 0.798 59 G HN 1.519 nan 8.290 nan 0.000 0.488 60 S N -0.508 115.208 115.700 0.027 0.000 2.619 60 S HA 0.691 5.161 4.470 -0.000 0.000 0.280 60 S C -0.878 173.736 174.600 0.024 0.000 1.150 60 S CA -0.679 57.533 58.200 0.021 0.000 0.978 60 S CB 1.398 64.606 63.200 0.013 0.000 1.041 60 S HN 0.637 nan 8.310 nan 0.000 0.485 61 I N 3.737 124.318 120.570 0.018 0.000 2.336 61 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 61 I C -0.482 175.605 176.117 -0.049 0.000 0.991 61 I CA -0.833 60.475 61.300 0.014 0.000 1.227 61 I CB 1.533 39.569 38.000 0.060 0.000 1.366 61 I HN 0.746 nan 8.210 nan 0.000 0.466 62 I N 8.086 128.636 120.570 -0.034 0.000 2.405 62 I HA 0.424 4.594 4.170 -0.000 0.000 0.280 62 I C -0.496 175.590 176.117 -0.053 0.000 1.027 62 I CA -0.445 60.826 61.300 -0.047 0.000 1.161 62 I CB 0.510 38.503 38.000 -0.011 0.000 1.300 62 I HN 0.467 nan 8.210 nan 0.000 0.463 63 I N 7.151 127.641 120.570 -0.133 0.000 2.638 63 I HA 0.175 4.345 4.170 -0.000 0.000 0.286 63 I C 0.139 176.260 176.117 0.008 0.000 1.088 63 I CA -0.097 61.137 61.300 -0.111 0.000 1.397 63 I CB 0.713 38.512 38.000 -0.334 0.000 1.414 63 I HN 0.480 nan 8.210 nan 0.000 0.566 64 K N 5.743 126.202 120.400 0.098 0.000 2.530 64 K HA 0.337 4.656 4.320 -0.000 0.000 0.230 64 K C 0.549 177.293 176.600 0.240 0.000 1.002 64 K CA -0.292 56.077 56.287 0.136 0.000 1.014 64 K CB 0.979 33.550 32.500 0.118 0.000 1.286 64 K HN 0.518 nan 8.250 nan 0.000 0.480 65 L N 1.749 123.096 121.223 0.207 0.000 2.129 65 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 65 L C 0.602 177.747 176.870 0.458 0.000 1.087 65 L CA 1.171 56.176 54.840 0.275 0.000 0.757 65 L CB -0.302 41.860 42.059 0.172 0.000 0.896 65 L HN 0.435 nan 8.230 nan 0.000 0.434 66 L N 0.901 122.316 121.223 0.321 0.000 2.260 66 L HA 0.301 4.641 4.340 -0.000 0.000 0.289 66 L C -1.989 174.960 176.870 0.131 0.000 1.057 66 L CA -2.039 52.950 54.840 0.248 0.000 0.811 66 L CB 0.736 42.894 42.059 0.165 0.000 1.184 66 L HN -0.160 nan 8.230 nan 0.000 0.429 67 P HA 0.021 nan 4.420 nan 0.000 0.269 67 P C -0.813 176.427 177.300 -0.099 0.000 1.215 67 P CA -0.362 62.642 63.100 -0.159 0.000 0.780 67 P CB 0.396 31.903 31.700 -0.321 0.000 0.898 68 N N 2.639 121.277 118.700 -0.102 0.000 2.402 68 N HA 0.087 4.827 4.740 -0.000 0.000 0.259 68 N C 0.051 175.518 175.510 -0.072 0.000 1.167 68 N CA 0.195 53.207 53.050 -0.064 0.000 0.949 68 N CB 0.016 38.473 38.487 -0.050 0.000 1.212 68 N HN 0.327 nan 8.380 nan 0.000 0.493 69 M N 2.295 121.860 119.600 -0.058 0.000 2.241 69 M HA 0.298 4.778 4.480 -0.000 0.000 0.335 69 M C -1.659 174.617 176.300 -0.040 0.000 1.122 69 M CA -1.607 53.661 55.300 -0.055 0.000 1.164 69 M CB -0.534 32.038 32.600 -0.046 0.000 1.459 69 M HN 0.208 nan 8.290 nan 0.000 0.461 70 P HA 0.228 nan 4.420 nan 0.000 0.274 70 P C -1.268 176.018 177.300 -0.022 0.000 1.231 70 P CA -0.490 62.593 63.100 -0.029 0.000 0.790 70 P CB 0.165 31.848 31.700 -0.028 0.000 0.951 71 K N 1.264 121.653 120.400 -0.017 0.000 2.316 71 K HA 0.257 4.577 4.320 -0.000 0.000 0.289 71 K C -0.122 176.471 176.600 -0.011 0.000 1.070 71 K CA -0.496 55.783 56.287 -0.013 0.000 0.928 71 K CB 0.334 32.827 32.500 -0.011 0.000 1.039 71 K HN 0.303 nan 8.250 nan 0.000 0.480 72 D N 1.310 121.704 120.400 -0.010 0.000 2.384 72 D HA -0.121 4.519 4.640 -0.000 0.000 0.170 72 D C 0.158 176.453 176.300 -0.009 0.000 1.010 72 D CA 1.123 55.118 54.000 -0.008 0.000 1.035 72 D CB -0.480 40.316 40.800 -0.007 0.000 1.093 72 D HN 0.543 nan 8.370 nan 0.000 0.476 73 K N 1.662 122.055 120.400 -0.011 0.000 2.632 73 K HA 0.050 4.370 4.320 -0.000 0.000 0.196 73 K C 1.523 178.116 176.600 -0.011 0.000 1.023 73 K CA 0.488 56.769 56.287 -0.011 0.000 1.098 73 K CB -0.210 32.282 32.500 -0.014 0.000 0.862 73 K HN 0.527 nan 8.250 nan 0.000 0.504 74 E N 0.796 120.990 120.200 -0.010 0.000 2.051 74 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 74 E C 1.794 178.391 176.600 -0.005 0.000 0.991 74 E CA 1.173 57.567 56.400 -0.009 0.000 0.799 74 E CB -0.010 29.686 29.700 -0.007 0.000 0.748 74 E HN 0.228 nan 8.360 nan 0.000 0.449 75 A N 0.920 123.739 122.820 -0.003 0.000 1.929 75 A HA -0.331 3.989 4.320 -0.000 0.000 0.221 75 A C 2.536 180.120 177.584 0.000 0.000 1.211 75 A CA 2.102 54.139 52.037 -0.000 0.000 0.657 75 A CB -1.362 17.637 19.000 -0.000 0.000 0.827 75 A HN 0.605 nan 8.150 nan 0.000 0.462 76 c N -1.493 117.106 118.600 -0.002 0.000 2.453 76 c HA 0.176 4.746 4.570 -0.000 0.000 0.277 76 c C 3.318 177.406 174.090 -0.002 0.000 1.262 76 c CA 0.609 56.937 56.329 -0.001 0.000 1.718 76 c CB -1.462 41.047 42.510 -0.003 0.000 2.031 76 c HN 0.746 nan 8.230 nan 0.000 0.480 77 A N 0.401 123.216 122.820 -0.007 0.000 2.019 77 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 77 A C 2.161 179.741 177.584 -0.005 0.000 1.164 77 A CA 1.448 53.478 52.037 -0.012 0.000 0.644 77 A CB -0.533 18.454 19.000 -0.022 0.000 0.805 77 A HN 0.676 nan 8.150 nan 0.000 0.449 78 K N -0.320 120.081 120.400 0.001 0.000 2.127 78 K HA -0.218 4.102 4.320 -0.000 0.000 0.208 78 K C 2.292 178.902 176.600 0.017 0.000 1.047 78 K CA 1.211 57.504 56.287 0.009 0.000 0.927 78 K CB -0.359 32.147 32.500 0.010 0.000 0.716 78 K HN 0.497 nan 8.250 nan 0.000 0.450 79 A N 1.945 124.774 122.820 0.015 0.000 1.841 79 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 79 A C -0.312 177.291 177.584 0.032 0.000 1.199 79 A CA 1.741 53.791 52.037 0.022 0.000 0.621 79 A CB -1.614 17.396 19.000 0.018 0.000 0.835 79 A HN 0.258 nan 8.150 nan 0.000 0.445 80 P HA -0.116 nan 4.420 nan 0.000 0.215 80 P C 1.821 179.157 177.300 0.061 0.000 1.157 80 P CA 1.167 64.292 63.100 0.041 0.000 0.859 80 P CB -0.217 31.495 31.700 0.021 0.000 0.786 81 L N 0.532 121.770 121.223 0.026 0.000 1.997 81 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 81 L C 2.667 179.607 176.870 0.117 0.000 1.074 81 L CA 2.236 57.094 54.840 0.030 0.000 0.763 81 L CB -1.317 40.742 42.059 0.001 0.000 0.890 81 L HN -0.138 nan 8.230 nan 0.000 0.434 82 E N -0.488 119.762 120.200 0.084 0.000 2.068 82 E HA -0.320 4.030 4.350 -0.000 0.000 0.207 82 E C 2.112 178.776 176.600 0.108 0.000 1.032 82 E CA 2.068 58.519 56.400 0.085 0.000 0.839 82 E CB -0.570 29.164 29.700 0.056 0.000 0.758 82 E HN 0.626 nan 8.360 nan 0.000 0.457 83 A N -0.459 122.422 122.820 0.102 0.000 1.892 83 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 83 A C 2.234 179.902 177.584 0.140 0.000 1.188 83 A CA 1.965 54.062 52.037 0.099 0.000 0.631 83 A CB -1.115 17.936 19.000 0.086 0.000 0.822 83 A HN 0.561 nan 8.150 nan 0.000 0.447 84 Y N 1.061 121.381 120.300 0.034 0.000 2.089 84 Y HA -0.248 4.302 4.550 -0.000 0.000 0.282 84 Y C 2.211 178.136 175.900 0.043 0.000 1.139 84 Y CA 2.248 60.372 58.100 0.041 0.000 1.123 84 Y CB -0.744 37.748 38.460 0.055 0.000 0.980 84 Y HN 0.387 nan 8.280 nan 0.000 0.493 85 N N 0.388 119.349 118.700 0.434 0.000 2.184 85 N HA -0.259 4.481 4.740 -0.000 0.000 0.190 85 N C 2.039 177.595 175.510 0.076 0.000 1.011 85 N CA 1.658 54.859 53.050 0.252 0.000 0.867 85 N CB -0.358 38.263 38.487 0.223 0.000 0.993 85 N HN 0.487 nan 8.380 nan 0.000 0.433 86 R N -0.574 119.965 120.500 0.066 0.000 2.061 86 R HA -0.090 4.250 4.340 -0.000 0.000 0.230 86 R C 2.232 178.522 176.300 -0.017 0.000 1.140 86 R CA 2.068 58.185 56.100 0.029 0.000 0.940 86 R CB -0.813 29.508 30.300 0.036 0.000 0.839 86 R HN 0.460 nan 8.270 nan 0.000 0.429 87 T N -0.424 114.101 114.554 -0.049 0.000 2.849 87 T HA -0.145 4.205 4.350 -0.000 0.000 0.270 87 T C 2.012 176.626 174.700 -0.144 0.000 1.066 87 T CA 1.223 63.270 62.100 -0.089 0.000 1.130 87 T CB -0.377 68.432 68.868 -0.098 0.000 0.864 87 T HN 0.219 nan 8.240 nan 0.000 0.481 88 L N 1.588 122.682 121.223 -0.214 0.000 1.989 88 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 88 L C 3.274 180.089 176.870 -0.092 0.000 1.071 88 L CA 2.324 57.031 54.840 -0.222 0.000 0.749 88 L CB -1.005 40.923 42.059 -0.217 0.000 0.890 88 L HN 0.605 nan 8.230 nan 0.000 0.431 89 T N -5.750 108.799 114.554 -0.008 0.000 2.995 89 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 89 T C 1.704 176.412 174.700 0.014 0.000 1.091 89 T CA 1.439 63.576 62.100 0.062 0.000 1.128 89 T CB -0.382 68.539 68.868 0.089 0.000 0.891 89 T HN 0.167 nan 8.240 nan 0.000 0.492 90 T N 1.419 115.960 114.554 -0.022 0.000 2.867 90 T HA 0.136 4.486 4.350 -0.000 0.000 0.268 90 T C 1.630 176.300 174.700 -0.050 0.000 1.057 90 T CA 0.867 62.951 62.100 -0.027 0.000 1.136 90 T CB -0.351 68.499 68.868 -0.030 0.000 0.874 90 T HN 0.200 nan 8.240 nan 0.000 0.466 91 L N 0.665 121.838 121.223 -0.084 0.000 2.034 91 L HA 0.213 4.553 4.340 -0.000 0.000 0.203 91 L C 2.093 178.876 176.870 -0.145 0.000 1.074 91 L CA 1.472 56.246 54.840 -0.109 0.000 0.748 91 L CB -0.416 41.562 42.059 -0.135 0.000 0.905 91 L HN 0.205 nan 8.230 nan 0.000 0.439 92 L N -1.494 119.595 121.223 -0.223 0.000 2.291 92 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 92 L C 2.308 179.011 176.870 -0.278 0.000 1.120 92 L CA 1.018 55.608 54.840 -0.415 0.000 0.799 92 L CB -1.264 40.243 42.059 -0.919 0.000 0.925 92 L HN 0.314 nan 8.230 nan 0.000 0.446 93 T N 0.943 115.473 114.554 -0.039 0.000 2.597 93 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 93 T C -0.275 174.452 174.700 0.044 0.000 1.053 93 T CA 2.052 64.210 62.100 0.097 0.000 1.165 93 T CB -0.964 67.949 68.868 0.074 0.000 0.863 93 T HN 0.253 nan 8.240 nan 0.000 0.427 94 P HA -0.061 nan 4.420 nan 0.000 0.214 94 P C 1.790 179.081 177.300 -0.017 0.000 1.163 94 P CA 0.629 63.724 63.100 -0.008 0.000 0.883 94 P CB -0.278 31.409 31.700 -0.022 0.000 0.788 95 L N -0.138 121.048 121.223 -0.061 0.000 2.051 95 L HA -0.170 4.170 4.340 -0.000 0.000 0.214 95 L C 2.104 178.960 176.870 -0.023 0.000 1.076 95 L CA 2.835 57.633 54.840 -0.070 0.000 0.758 95 L CB -1.824 40.150 42.059 -0.142 0.000 0.890 95 L HN 0.069 nan 8.230 nan 0.000 0.433 96 G N -0.314 108.495 108.800 0.016 0.000 2.459 96 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.217 96 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.217 96 G C 1.244 176.215 174.900 0.118 0.000 1.183 96 G CA 1.032 46.258 45.100 0.210 0.000 0.776 96 G HN 0.550 nan 8.290 nan 0.000 0.552 97 D N 0.825 121.274 120.400 0.082 0.000 2.116 97 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 97 D C 2.781 179.099 176.300 0.030 0.000 0.998 97 D CA 2.300 56.329 54.000 0.048 0.000 0.836 97 D CB -0.287 40.534 40.800 0.034 0.000 0.951 97 D HN 0.370 nan 8.370 nan 0.000 0.449 98 S N -0.155 115.557 115.700 0.020 0.000 2.382 98 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 98 S C 2.333 176.941 174.600 0.014 0.000 1.027 98 S CA 1.088 59.295 58.200 0.011 0.000 0.991 98 S CB -0.905 62.296 63.200 0.002 0.000 0.823 98 S HN 0.438 nan 8.310 nan 0.000 0.469 99 I N 2.071 122.654 120.570 0.021 0.000 2.151 99 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 99 I C 3.059 179.189 176.117 0.021 0.000 1.080 99 I CA 1.936 63.250 61.300 0.023 0.000 1.339 99 I CB -0.491 37.531 38.000 0.037 0.000 1.039 99 I HN 0.357 nan 8.210 nan 0.000 0.409 100 R N 1.450 121.965 120.500 0.026 0.000 2.088 100 R HA -0.196 4.143 4.340 -0.000 0.000 0.232 100 R C 2.549 178.857 176.300 0.013 0.000 1.136 100 R CA 1.756 57.867 56.100 0.018 0.000 0.926 100 R CB -0.270 30.042 30.300 0.019 0.000 0.837 100 R HN 0.227 nan 8.270 nan 0.000 0.429 101 R N 0.131 120.638 120.500 0.012 0.000 2.119 101 R HA -0.183 4.157 4.340 -0.000 0.000 0.246 101 R C 2.379 178.684 176.300 0.007 0.000 1.146 101 R CA 2.176 58.281 56.100 0.009 0.000 0.962 101 R CB -0.499 29.806 30.300 0.008 0.000 0.863 101 R HN 0.411 nan 8.270 nan 0.000 0.442 102 I N 0.434 121.009 120.570 0.008 0.000 2.286 102 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 102 I C 2.331 178.452 176.117 0.007 0.000 1.104 102 I CA 1.326 62.630 61.300 0.007 0.000 1.397 102 I CB -0.319 37.685 38.000 0.006 0.000 1.072 102 I HN 0.247 nan 8.210 nan 0.000 0.417 103 Q N 0.424 120.228 119.800 0.008 0.000 2.167 103 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 103 Q C 2.050 178.054 176.000 0.006 0.000 0.970 103 Q CA 0.892 56.699 55.803 0.007 0.000 0.855 103 Q CB 0.021 28.764 28.738 0.008 0.000 0.911 103 Q HN 0.395 nan 8.270 nan 0.000 0.438 104 E N 0.709 120.912 120.200 0.006 0.000 2.130 104 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 104 E C 0.754 177.356 176.600 0.004 0.000 0.998 104 E CA 0.773 57.176 56.400 0.004 0.000 0.806 104 E CB -0.068 29.635 29.700 0.004 0.000 0.738 104 E HN 0.173 nan 8.360 nan 0.000 0.459 172 L N 1.722 122.945 121.223 0.000 0.000 1.990 172 L HA -0.086 4.254 4.340 -0.000 0.000 0.213 172 L C 2.658 179.529 176.870 0.002 0.000 1.072 172 L CA 2.972 57.813 54.840 0.001 0.000 0.755 172 L CB -0.843 41.217 42.059 0.002 0.000 0.889 172 L HN 0.546 nan 8.230 nan 0.000 0.432 173 S N -1.209 114.491 115.700 0.001 0.000 2.356 173 S HA -0.258 4.212 4.470 -0.000 0.000 0.223 173 S C 1.965 176.566 174.600 0.001 0.000 1.032 173 S CA 1.739 59.940 58.200 0.002 0.000 1.005 173 S CB -0.193 63.008 63.200 0.001 0.000 0.867 173 S HN 0.599 nan 8.310 nan 0.000 0.449 174 Q N 0.298 120.097 119.800 -0.001 0.000 1.967 174 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 174 Q C 2.383 178.381 176.000 -0.003 0.000 0.985 174 Q CA 1.860 57.662 55.803 -0.002 0.000 0.839 174 Q CB -0.475 28.260 28.738 -0.003 0.000 0.906 174 Q HN 0.677 nan 8.270 nan 0.000 0.423 175 L N 0.412 121.633 121.223 -0.003 0.000 2.191 175 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 175 L C 2.258 179.128 176.870 -0.000 0.000 1.103 175 L CA 1.451 56.289 54.840 -0.003 0.000 0.769 175 L CB -0.412 41.646 42.059 -0.003 0.000 0.908 175 L HN 0.323 nan 8.230 nan 0.000 0.438 176 A N -0.525 122.296 122.820 0.002 0.000 2.024 176 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 176 A C 2.196 179.783 177.584 0.006 0.000 1.164 176 A CA 1.841 53.882 52.037 0.005 0.000 0.643 176 A CB -0.946 18.058 19.000 0.006 0.000 0.806 176 A HN 0.359 nan 8.150 nan 0.000 0.451 177 V N -0.154 119.762 119.914 0.003 0.000 2.332 177 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 177 V C 3.052 179.147 176.094 0.002 0.000 1.055 177 V CA 1.931 64.233 62.300 0.003 0.000 1.038 177 V CB -1.373 30.450 31.823 -0.001 0.000 0.651 177 V HN 0.646 nan 8.190 nan 0.000 0.450 178 A N -0.029 122.789 122.820 -0.003 0.000 1.884 178 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 178 A C 2.418 180.005 177.584 0.005 0.000 1.197 178 A CA 2.534 54.566 52.037 -0.009 0.000 0.637 178 A CB -0.981 18.011 19.000 -0.013 0.000 0.827 178 A HN 0.335 nan 8.150 nan 0.000 0.450 179 V N -0.078 119.844 119.914 0.013 0.000 2.332 179 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 179 V C 2.787 178.902 176.094 0.034 0.000 1.055 179 V CA 2.104 64.419 62.300 0.025 0.000 1.038 179 V CB -1.543 30.293 31.823 0.022 0.000 0.651 179 V HN 0.681 nan 8.190 nan 0.000 0.450 180 G N -0.342 108.474 108.800 0.026 0.000 2.480 180 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 180 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 180 G C 1.656 176.583 174.900 0.044 0.000 1.200 180 G CA 1.083 46.202 45.100 0.031 0.000 0.782 180 G HN 0.475 nan 8.290 nan 0.000 0.554 181 K N -0.561 119.861 120.400 0.036 0.000 1.973 181 K HA 0.023 4.343 4.320 -0.000 0.000 0.210 181 K C 2.535 179.188 176.600 0.087 0.000 1.045 181 K CA 1.188 57.503 56.287 0.048 0.000 0.937 181 K CB -0.406 32.098 32.500 0.007 0.000 0.721 181 K HN 0.198 nan 8.250 nan 0.000 0.438 182 M N 2.080 121.708 119.600 0.047 0.000 2.147 182 M HA -0.322 4.158 4.480 -0.000 0.000 0.253 182 M C 2.300 178.719 176.300 0.198 0.000 1.075 182 M CA 1.929 57.279 55.300 0.083 0.000 1.085 182 M CB -0.776 31.844 32.600 0.035 0.000 1.305 182 M HN 0.281 nan 8.290 nan 0.000 0.409 183 Q N 0.403 120.281 119.800 0.130 0.000 2.002 183 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 183 Q C 1.832 177.912 176.000 0.133 0.000 0.988 183 Q CA 2.933 58.811 55.803 0.124 0.000 0.843 183 Q CB -0.599 28.187 28.738 0.080 0.000 0.908 183 Q HN 0.848 nan 8.270 nan 0.000 0.420 184 Q N 0.149 120.020 119.800 0.117 0.000 2.112 184 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 184 Q C 1.912 177.985 176.000 0.121 0.000 0.987 184 Q CA 2.128 57.990 55.803 0.100 0.000 0.858 184 Q CB -1.396 27.392 28.738 0.084 0.000 0.905 184 Q HN 0.497 nan 8.270 nan 0.000 0.420 185 F N 2.177 122.135 119.950 0.013 0.000 2.046 185 F HA -0.215 4.312 4.527 0.000 0.000 0.297 185 F C 2.063 177.860 175.800 -0.005 0.000 1.123 185 F CA 2.231 60.230 58.000 -0.001 0.000 1.199 185 F CB -0.713 38.279 39.000 -0.013 0.000 0.972 185 F HN 0.051 nan 8.300 nan 0.000 0.474 186 V N -0.005 119.816 119.914 -0.154 0.000 2.469 186 V HA -0.293 3.827 4.120 -0.000 0.000 0.251 186 V C 2.139 178.147 176.094 -0.143 0.000 1.064 186 V CA 2.248 64.346 62.300 -0.337 0.000 1.066 186 V CB -1.253 30.613 31.823 0.070 0.000 0.667 186 V HN 0.488 nan 8.190 nan 0.000 0.461 187 N N 1.193 119.884 118.700 -0.015 0.000 2.058 187 N HA -0.217 4.523 4.740 -0.000 0.000 0.191 187 N C 1.875 177.372 175.510 -0.021 0.000 1.037 187 N CA 2.150 55.224 53.050 0.041 0.000 0.848 187 N CB -0.688 37.821 38.487 0.038 0.000 1.021 187 N HN 0.805 nan 8.380 nan 0.000 0.422 188 D N 0.678 121.021 120.400 -0.094 0.000 2.104 188 D HA -0.205 4.435 4.640 -0.000 0.000 0.194 188 D C 1.715 177.915 176.300 -0.167 0.000 0.994 188 D CA 1.290 55.229 54.000 -0.102 0.000 0.830 188 D CB 0.145 40.894 40.800 -0.085 0.000 0.959 188 D HN 0.068 nan 8.370 nan 0.000 0.452 189 Q N -0.432 119.145 119.800 -0.372 0.000 2.002 189 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 189 Q C 2.170 178.022 176.000 -0.247 0.000 0.988 189 Q CA 1.454 57.005 55.803 -0.421 0.000 0.843 189 Q CB -0.741 27.512 28.738 -0.808 0.000 0.908 189 Q HN 0.285 nan 8.270 nan 0.000 0.420 190 F N 0.535 120.365 119.950 -0.199 0.000 2.154 190 F HA -0.219 4.308 4.527 -0.000 0.000 0.301 190 F C 1.992 177.740 175.800 -0.086 0.000 1.087 190 F CA 1.336 59.266 58.000 -0.117 0.000 1.274 190 F CB -0.611 38.332 39.000 -0.095 0.000 1.009 190 F HN 0.215 nan 8.300 nan 0.000 0.485 191 N N 0.256 119.017 118.700 0.102 0.000 2.166 191 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 191 N C 2.041 177.562 175.510 0.019 0.000 1.019 191 N CA 1.057 54.134 53.050 0.045 0.000 0.856 191 N CB -0.403 38.093 38.487 0.016 0.000 0.993 191 N HN 0.223 nan 8.380 nan 0.000 0.426 192 K N 0.692 121.085 120.400 -0.012 0.000 1.991 192 K HA -0.087 4.233 4.320 -0.000 0.000 0.212 192 K C 1.467 178.068 176.600 0.000 0.000 1.049 192 K CA 1.637 57.913 56.287 -0.019 0.000 0.932 192 K CB -1.010 31.461 32.500 -0.048 0.000 0.717 192 K HN 0.022 nan 8.250 nan 0.000 0.441 193 T N 1.496 116.054 114.554 0.006 0.000 2.822 193 T HA -0.114 4.236 4.350 -0.000 0.000 0.270 193 T C 1.847 176.582 174.700 0.059 0.000 1.064 193 T CA 1.310 63.433 62.100 0.037 0.000 1.131 193 T CB -0.345 68.566 68.868 0.071 0.000 0.858 193 T HN 0.508 nan 8.240 nan 0.000 0.483 194 A N 2.223 125.081 122.820 0.063 0.000 1.829 194 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 194 A C 2.284 179.881 177.584 0.022 0.000 1.207 194 A CA 2.045 54.108 52.037 0.042 0.000 0.622 194 A CB -0.866 18.153 19.000 0.032 0.000 0.846 194 A HN 0.629 nan 8.150 nan 0.000 0.447 195 Q N -0.912 118.896 119.800 0.014 0.000 2.224 195 Q HA -0.047 4.292 4.340 -0.000 0.000 0.203 195 Q C 1.494 177.499 176.000 0.007 0.000 0.970 195 Q CA 1.414 57.221 55.803 0.007 0.000 0.865 195 Q CB -0.324 28.416 28.738 0.003 0.000 0.922 195 Q HN 0.569 nan 8.270 nan 0.000 0.445 196 E N 0.481 120.686 120.200 0.009 0.000 2.401 196 E HA -0.059 4.291 4.350 -0.000 0.000 0.199 196 E C 1.402 178.008 176.600 0.010 0.000 1.023 196 E CA 0.612 57.017 56.400 0.007 0.000 0.859 196 E CB 0.067 29.770 29.700 0.005 0.000 0.780 196 E HN 0.476 nan 8.360 nan 0.000 0.523 197 L N -0.075 121.156 121.223 0.014 0.000 2.554 197 L HA -0.033 4.307 4.340 -0.000 0.000 0.225 197 L C 1.628 178.503 176.870 0.008 0.000 1.104 197 L CA 0.303 55.151 54.840 0.014 0.000 0.866 197 L CB 0.160 42.230 42.059 0.019 0.000 1.047 197 L HN -0.043 nan 8.230 nan 0.000 0.468 198 D N -0.782 119.622 120.400 0.006 0.000 2.144 198 D HA -0.128 4.512 4.640 -0.000 0.000 0.207 198 D C 2.218 178.519 176.300 0.001 0.000 0.970 198 D CA 0.837 54.838 54.000 0.002 0.000 0.853 198 D CB 0.096 40.897 40.800 0.000 0.000 1.007 198 D HN 0.155 nan 8.370 nan 0.000 0.469 199 c N 0.334 118.935 118.600 0.002 0.000 2.386 199 c HA -0.148 4.422 4.570 -0.000 0.000 0.279 199 c C 2.833 176.924 174.090 0.002 0.000 1.208 199 c CA 0.591 56.920 56.329 0.001 0.000 1.747 199 c CB -1.206 41.305 42.510 0.002 0.000 2.046 199 c HN 0.404 nan 8.230 nan 0.000 0.453 200 I N 0.137 120.709 120.570 0.004 0.000 2.185 200 I HA -0.316 3.854 4.170 -0.000 0.000 0.246 200 I C 2.623 178.742 176.117 0.004 0.000 1.088 200 I CA 1.817 63.121 61.300 0.005 0.000 1.347 200 I CB -0.573 37.431 38.000 0.007 0.000 1.041 200 I HN 0.473 nan 8.210 nan 0.000 0.415 201 K N 0.491 120.893 120.400 0.003 0.000 2.025 201 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 201 K C 2.202 178.802 176.600 -0.001 0.000 1.049 201 K CA 1.271 57.558 56.287 0.001 0.000 0.933 201 K CB -0.064 32.436 32.500 0.001 0.000 0.714 201 K HN 0.286 nan 8.250 nan 0.000 0.438 202 I N 1.146 121.714 120.570 -0.003 0.000 2.202 202 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 202 I C 2.360 178.473 176.117 -0.007 0.000 1.091 202 I CA 1.745 63.041 61.300 -0.006 0.000 1.368 202 I CB -0.239 37.757 38.000 -0.007 0.000 1.058 202 I HN 0.348 nan 8.210 nan 0.000 0.410 203 T N -1.682 112.870 114.554 -0.004 0.000 2.788 203 T HA -0.284 4.066 4.350 -0.000 0.000 0.268 203 T C 1.768 176.467 174.700 -0.001 0.000 1.044 203 T CA 1.533 63.631 62.100 -0.003 0.000 1.139 203 T CB -0.484 68.385 68.868 0.002 0.000 0.867 203 T HN 0.344 nan 8.240 nan 0.000 0.454 204 Q N 1.288 121.089 119.800 0.002 0.000 2.173 204 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 204 Q C 2.331 178.332 176.000 0.003 0.000 0.989 204 Q CA 2.215 58.021 55.803 0.005 0.000 0.872 204 Q CB -0.476 28.265 28.738 0.005 0.000 0.909 204 Q HN 0.823 nan 8.270 nan 0.000 0.420 205 Q N -1.335 118.464 119.800 -0.002 0.000 2.061 205 Q HA -0.049 4.291 4.340 -0.000 0.000 0.195 205 Q C 2.066 178.060 176.000 -0.011 0.000 0.967 205 Q CA 1.218 57.018 55.803 -0.005 0.000 0.829 205 Q CB 0.031 28.763 28.738 -0.009 0.000 0.900 205 Q HN 0.337 nan 8.270 nan 0.000 0.450 206 V N 0.711 120.614 119.914 -0.018 0.000 2.324 206 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 206 V C 2.200 178.277 176.094 -0.029 0.000 1.060 206 V CA 2.077 64.358 62.300 -0.032 0.000 1.042 206 V CB -1.058 30.744 31.823 -0.036 0.000 0.650 206 V HN 0.663 nan 8.190 nan 0.000 0.450 207 G N -0.712 108.082 108.800 -0.009 0.000 2.459 207 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 207 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 207 G C 1.709 176.621 174.900 0.020 0.000 1.183 207 G CA 1.196 46.300 45.100 0.008 0.000 0.776 207 G HN 0.370 nan 8.290 nan 0.000 0.552 208 V N 0.655 120.580 119.914 0.018 0.000 2.287 208 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 208 V C 2.720 178.833 176.094 0.032 0.000 1.053 208 V CA 2.455 64.772 62.300 0.028 0.000 1.027 208 V CB -0.367 31.468 31.823 0.020 0.000 0.646 208 V HN 0.431 nan 8.190 nan 0.000 0.447 209 E N -0.250 119.956 120.200 0.011 0.000 2.038 209 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 209 E C 1.971 178.585 176.600 0.023 0.000 1.000 209 E CA 1.335 57.738 56.400 0.005 0.000 0.803 209 E CB -0.421 29.261 29.700 -0.031 0.000 0.750 209 E HN 0.331 nan 8.360 nan 0.000 0.448 210 L N 1.274 122.485 121.223 -0.020 0.000 1.971 210 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 210 L C 2.011 178.959 176.870 0.130 0.000 1.072 210 L CA 1.838 56.641 54.840 -0.062 0.000 0.758 210 L CB -0.954 40.998 42.059 -0.178 0.000 0.889 210 L HN 0.249 nan 8.230 nan 0.000 0.433 211 N N -0.553 118.229 118.700 0.137 0.000 2.137 211 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 211 N C 1.903 177.509 175.510 0.160 0.000 1.017 211 N CA 1.505 54.658 53.050 0.172 0.000 0.859 211 N CB -0.189 38.364 38.487 0.110 0.000 1.002 211 N HN 0.341 nan 8.380 nan 0.000 0.428 212 L N -0.521 120.784 121.223 0.137 0.000 2.017 212 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 212 L C 2.335 179.322 176.870 0.196 0.000 1.073 212 L CA 1.112 56.030 54.840 0.131 0.000 0.745 212 L CB -0.678 41.442 42.059 0.102 0.000 0.894 212 L HN 0.151 nan 8.230 nan 0.000 0.432 213 Y N 0.568 120.920 120.300 0.087 0.000 2.193 213 Y HA -0.297 4.253 4.550 -0.000 0.000 0.285 213 Y C 2.307 178.309 175.900 0.170 0.000 1.166 213 Y CA 1.504 59.674 58.100 0.117 0.000 1.181 213 Y CB -0.263 38.261 38.460 0.107 0.000 0.976 213 Y HN 0.059 nan 8.280 nan 0.000 0.520 214 L N -0.182 121.157 121.223 0.195 0.000 2.027 214 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 214 L C 2.671 179.525 176.870 -0.028 0.000 1.074 214 L CA 2.659 57.519 54.840 0.032 0.000 0.745 214 L CB -1.397 40.705 42.059 0.071 0.000 0.898 214 L HN 0.425 nan 8.230 nan 0.000 0.433 215 T N -2.771 111.796 114.554 0.022 0.000 2.962 215 T HA -0.194 4.156 4.350 -0.000 0.000 0.270 215 T C 1.743 176.435 174.700 -0.014 0.000 1.088 215 T CA 1.336 63.436 62.100 -0.000 0.000 1.127 215 T CB -0.411 68.467 68.868 0.017 0.000 0.883 215 T HN 0.606 nan 8.240 nan 0.000 0.493 216 E N 0.064 120.265 120.200 0.001 0.000 2.015 216 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 216 E C 2.181 178.744 176.600 -0.061 0.000 0.991 216 E CA 0.956 57.354 56.400 -0.003 0.000 0.802 216 E CB -0.307 29.443 29.700 0.084 0.000 0.759 216 E HN 0.403 nan 8.360 nan 0.000 0.447 217 L N 1.275 122.425 121.223 -0.122 0.000 2.043 217 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 217 L C 2.741 179.609 176.870 -0.004 0.000 1.075 217 L CA 2.655 57.434 54.840 -0.102 0.000 0.752 217 L CB -0.960 40.913 42.059 -0.309 0.000 0.891 217 L HN 0.468 nan 8.230 nan 0.000 0.432 218 T N -6.482 108.044 114.554 -0.046 0.000 2.985 218 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 218 T C 1.800 176.474 174.700 -0.044 0.000 1.076 218 T CA 1.318 63.400 62.100 -0.030 0.000 1.135 218 T CB -0.601 68.238 68.868 -0.048 0.000 0.890 218 T HN 0.244 nan 8.240 nan 0.000 0.480 219 T N 1.744 116.259 114.554 -0.065 0.000 2.737 219 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 219 T C 2.066 176.687 174.700 -0.133 0.000 1.038 219 T CA 1.226 63.277 62.100 -0.082 0.000 1.144 219 T CB -0.479 68.344 68.868 -0.075 0.000 0.866 219 T HN 0.231 nan 8.240 nan 0.000 0.434 220 V N 0.557 120.345 119.914 -0.211 0.000 2.244 220 V HA -0.044 4.076 4.120 -0.000 0.000 0.244 220 V C 1.289 177.083 176.094 -0.500 0.000 1.042 220 V CA 1.477 63.513 62.300 -0.439 0.000 1.006 220 V CB -0.503 30.888 31.823 -0.720 0.000 0.641 220 V HN 0.435 nan 8.190 nan 0.000 0.446 221 F N 0.880 120.805 119.950 -0.043 0.000 2.974 221 F HA 0.433 4.960 4.527 -0.000 0.000 0.292 221 F C 1.653 177.420 175.800 -0.055 0.000 1.209 221 F CA 0.039 58.013 58.000 -0.043 0.000 1.366 221 F CB -0.740 38.232 39.000 -0.047 0.000 1.033 221 F HN 0.061 nan 8.300 nan 0.000 0.516 222 G N 1.558 110.380 108.800 0.037 0.000 2.480 222 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 222 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 222 G C -0.494 174.413 174.900 0.012 0.000 1.200 222 G CA 0.821 45.925 45.100 0.007 0.000 0.782 222 G HN 0.263 nan 8.290 nan 0.000 0.554 223 P HA -0.101 nan 4.420 nan 0.000 0.214 223 P C 1.860 179.170 177.300 0.017 0.000 1.163 223 P CA 1.496 64.601 63.100 0.008 0.000 0.883 223 P CB -0.045 31.660 31.700 0.009 0.000 0.788 224 Q N -0.521 119.307 119.800 0.047 0.000 2.030 224 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 224 Q C 2.237 178.235 176.000 -0.004 0.000 0.986 224 Q CA 1.490 57.314 55.803 0.035 0.000 0.843 224 Q CB -1.340 27.443 28.738 0.074 0.000 0.904 224 Q HN 0.245 nan 8.270 nan 0.000 0.420 225 I N -0.345 120.226 120.570 0.002 0.000 2.335 225 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 225 I C 1.911 177.989 176.117 -0.064 0.000 1.129 225 I CA 1.350 62.617 61.300 -0.054 0.000 1.402 225 I CB -0.165 37.808 38.000 -0.044 0.000 1.069 225 I HN 0.241 nan 8.210 nan 0.000 0.424 226 T N -1.173 113.358 114.554 -0.037 0.000 3.065 226 T HA 0.066 4.416 4.350 -0.000 0.000 0.252 226 T C 0.430 175.111 174.700 -0.032 0.000 1.099 226 T CA 0.396 62.473 62.100 -0.038 0.000 1.063 226 T CB 0.022 68.872 68.868 -0.030 0.000 0.948 226 T HN 0.274 nan 8.240 nan 0.000 0.506 227 S N 0.405 116.090 115.700 -0.026 0.000 2.548 227 S HA 0.411 4.881 4.470 -0.000 0.000 0.278 227 S C -2.528 172.062 174.600 -0.015 0.000 1.150 227 S CA -1.023 57.165 58.200 -0.020 0.000 0.907 227 S CB 2.060 65.251 63.200 -0.014 0.000 1.108 227 S HN -0.103 nan 8.310 nan 0.000 0.459 228 P HA 0.154 nan 4.420 nan 0.000 0.230 228 P C 0.663 177.961 177.300 -0.003 0.000 1.158 228 P CA 0.445 63.541 63.100 -0.008 0.000 0.769 228 P CB -0.039 31.657 31.700 -0.005 0.000 0.807 229 A N 0.187 123.006 122.820 -0.003 0.000 2.250 229 A HA 0.423 4.743 4.320 -0.000 0.000 0.283 229 A C 0.336 177.921 177.584 0.002 0.000 1.206 229 A CA -0.630 51.407 52.037 0.000 0.000 0.840 229 A CB -0.358 18.642 19.000 -0.001 0.000 1.220 229 A HN 0.050 nan 8.150 nan 0.000 0.505 230 L N 0.342 121.567 121.223 0.004 0.000 2.426 230 L HA 0.397 4.737 4.340 -0.000 0.000 0.271 230 L C -0.009 176.863 176.870 0.002 0.000 1.169 230 L CA 0.187 55.030 54.840 0.005 0.000 0.836 230 L CB 0.720 42.783 42.059 0.006 0.000 1.112 230 L HN 0.794 nan 8.230 nan 0.000 0.465 231 T N 0.598 115.154 114.554 0.004 0.000 2.894 231 T HA 0.217 4.567 4.350 -0.000 0.000 0.309 231 T C -0.693 174.006 174.700 -0.001 0.000 1.208 231 T CA -0.906 61.194 62.100 0.001 0.000 1.016 231 T CB 1.861 70.732 68.868 0.005 0.000 1.192 231 T HN 0.356 nan 8.240 nan 0.000 0.491 232 Q N 0.899 120.693 119.800 -0.010 0.000 2.386 232 Q HA 0.199 4.539 4.340 -0.000 0.000 0.282 232 Q C -0.823 175.171 176.000 -0.009 0.000 1.050 232 Q CA -0.199 55.594 55.803 -0.018 0.000 0.918 232 Q CB 0.525 29.247 28.738 -0.026 0.000 1.266 232 Q HN 0.469 nan 8.270 nan 0.000 0.423 233 L N 2.472 123.688 121.223 -0.010 0.000 2.312 233 L HA 0.199 4.539 4.340 -0.000 0.000 0.281 233 L C 0.461 177.317 176.870 -0.023 0.000 1.070 233 L CA 0.257 55.097 54.840 0.000 0.000 0.805 233 L CB 1.239 43.304 42.059 0.012 0.000 1.174 233 L HN 0.712 nan 8.230 nan 0.000 0.434 234 T N 0.567 115.095 114.554 -0.043 0.000 2.856 234 T HA 0.098 4.448 4.350 -0.000 0.000 0.306 234 T C 1.346 176.010 174.700 -0.059 0.000 1.062 234 T CA -0.401 61.657 62.100 -0.071 0.000 1.083 234 T CB 0.543 69.335 68.868 -0.126 0.000 0.984 234 T HN 0.479 nan 8.240 nan 0.000 0.542 235 I N 1.788 122.324 120.570 -0.056 0.000 2.226 235 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 235 I C 2.607 178.712 176.117 -0.020 0.000 1.100 235 I CA 1.452 62.734 61.300 -0.030 0.000 1.374 235 I CB -0.770 37.206 38.000 -0.039 0.000 1.057 235 I HN 0.743 nan 8.210 nan 0.000 0.413 236 Q N 0.994 120.747 119.800 -0.079 0.000 2.077 236 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 236 Q C 2.316 178.294 176.000 -0.036 0.000 0.989 236 Q CA 2.083 57.832 55.803 -0.090 0.000 0.853 236 Q CB -1.408 27.231 28.738 -0.166 0.000 0.907 236 Q HN 0.599 nan 8.270 nan 0.000 0.418 237 A N 1.440 124.192 122.820 -0.115 0.000 1.902 237 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 237 A C 2.202 179.831 177.584 0.075 0.000 1.181 237 A CA 1.358 53.364 52.037 -0.052 0.000 0.623 237 A CB -0.666 18.292 19.000 -0.070 0.000 0.818 237 A HN 0.302 nan 8.150 nan 0.000 0.443 238 L N -1.414 119.847 121.223 0.062 0.000 2.012 238 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 238 L C 2.256 179.189 176.870 0.105 0.000 1.073 238 L CA 2.503 57.385 54.840 0.070 0.000 0.748 238 L CB -1.154 40.935 42.059 0.049 0.000 0.891 238 L HN 0.526 nan 8.230 nan 0.000 0.431 239 Y N 0.780 121.080 120.300 0.000 0.000 2.053 239 Y HA -0.371 4.179 4.550 -0.000 0.000 0.277 239 Y C 2.798 178.719 175.900 0.034 0.000 1.159 239 Y CA 2.479 60.586 58.100 0.012 0.000 1.125 239 Y CB -0.632 37.827 38.460 -0.001 0.000 0.969 239 Y HN 0.527 nan 8.280 nan 0.000 0.492 240 N N 0.878 119.724 118.700 0.243 0.000 2.037 240 N HA -0.254 4.486 4.740 -0.000 0.000 0.196 240 N C 2.015 177.570 175.510 0.076 0.000 1.034 240 N CA 2.055 55.203 53.050 0.163 0.000 0.861 240 N CB -0.758 37.849 38.487 0.200 0.000 1.039 240 N HN 0.504 nan 8.380 nan 0.000 0.427 241 L N 1.449 122.727 121.223 0.092 0.000 2.013 241 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 241 L C 2.075 178.962 176.870 0.029 0.000 1.073 241 L CA 2.363 57.245 54.840 0.069 0.000 0.753 241 L CB -1.262 40.840 42.059 0.072 0.000 0.890 241 L HN 0.287 nan 8.230 nan 0.000 0.432 242 A N -0.679 122.133 122.820 -0.014 0.000 2.265 242 A HA 0.371 4.691 4.320 -0.000 0.000 0.213 242 A C 1.476 179.014 177.584 -0.077 0.000 1.255 242 A CA 0.500 52.520 52.037 -0.028 0.000 0.862 242 A CB -1.719 17.242 19.000 -0.066 0.000 0.852 242 A HN 0.931 nan 8.150 nan 0.000 0.484 243 G N -1.125 107.623 108.800 -0.086 0.000 2.393 243 G HA2 0.072 4.032 3.960 -0.000 0.000 0.299 243 G HA3 0.072 4.032 3.960 -0.000 0.000 0.299 243 G C 1.510 176.267 174.900 -0.239 0.000 0.990 243 G CA 0.857 45.896 45.100 -0.102 0.000 1.118 243 G HN 2.026 nan 8.290 nan 0.000 0.513 244 G N -0.251 108.188 108.800 -0.601 0.000 2.343 244 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.264 244 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.264 244 G C 0.732 175.306 174.900 -0.543 0.000 0.989 244 G CA 1.065 45.568 45.100 -0.995 0.000 0.627 244 G HN 1.679 nan 8.290 nan 0.000 0.549 245 N N 0.504 119.042 118.700 -0.270 0.000 3.188 245 N HA 0.416 5.156 4.740 -0.000 0.000 0.279 245 N C 1.447 176.937 175.510 -0.034 0.000 1.213 245 N CA 0.080 53.078 53.050 -0.086 0.000 1.138 245 N CB 0.173 38.658 38.487 -0.004 0.000 1.417 245 N HN 0.255 nan 8.380 nan 0.000 0.526 246 M N 1.267 120.824 119.600 -0.071 0.000 2.080 246 M HA -0.137 4.343 4.480 -0.000 0.000 0.260 246 M C 1.106 177.420 176.300 0.023 0.000 1.068 246 M CA 1.695 56.988 55.300 -0.011 0.000 1.109 246 M CB -0.239 32.393 32.600 0.054 0.000 1.342 246 M HN 0.314 nan 8.290 nan 0.000 0.405 247 D N -1.301 119.128 120.400 0.048 0.000 2.158 247 D HA -0.241 4.399 4.640 -0.000 0.000 0.197 247 D C 1.856 178.206 176.300 0.084 0.000 0.995 247 D CA 1.604 55.638 54.000 0.058 0.000 0.846 247 D CB -0.495 40.343 40.800 0.063 0.000 0.941 247 D HN 0.520 nan 8.370 nan 0.000 0.456 248 Y N 1.596 121.884 120.300 -0.020 0.000 2.114 248 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 248 Y C 2.250 178.141 175.900 -0.014 0.000 1.143 248 Y CA 1.011 59.100 58.100 -0.019 0.000 1.135 248 Y CB -0.877 37.566 38.460 -0.029 0.000 0.980 248 Y HN -0.078 nan 8.280 nan 0.000 0.499 249 L N 0.322 121.364 121.223 -0.301 0.000 1.956 249 L HA -0.272 4.068 4.340 -0.000 0.000 0.216 249 L C 2.424 179.139 176.870 -0.257 0.000 1.073 249 L CA 2.298 56.913 54.840 -0.374 0.000 0.762 249 L CB -1.139 40.828 42.059 -0.154 0.000 0.889 249 L HN 0.388 nan 8.230 nan 0.000 0.433 250 L N -1.284 119.864 121.223 -0.125 0.000 2.021 250 L HA -0.318 4.022 4.340 -0.000 0.000 0.215 250 L C 2.467 179.288 176.870 -0.082 0.000 1.074 250 L CA 2.043 56.839 54.840 -0.074 0.000 0.760 250 L CB -1.459 40.584 42.059 -0.026 0.000 0.889 250 L HN 0.366 nan 8.230 nan 0.000 0.433 251 T N -0.437 114.064 114.554 -0.089 0.000 2.737 251 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 251 T C 1.968 176.610 174.700 -0.096 0.000 1.040 251 T CA 1.350 63.413 62.100 -0.062 0.000 1.142 251 T CB -0.051 68.806 68.868 -0.017 0.000 0.861 251 T HN 0.239 nan 8.240 nan 0.000 0.456 252 K N 0.763 121.038 120.400 -0.208 0.000 2.062 252 K HA 0.143 4.463 4.320 -0.000 0.000 0.205 252 K C 2.313 178.850 176.600 -0.105 0.000 1.051 252 K CA 0.719 56.895 56.287 -0.186 0.000 0.941 252 K CB -0.576 31.723 32.500 -0.335 0.000 0.719 252 K HN 0.376 nan 8.250 nan 0.000 0.440 253 L N -0.357 120.804 121.223 -0.102 0.000 2.131 253 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 253 L C 1.743 178.607 176.870 -0.010 0.000 1.092 253 L CA 1.506 56.315 54.840 -0.050 0.000 0.759 253 L CB -0.434 41.594 42.059 -0.053 0.000 0.903 253 L HN 0.517 nan 8.230 nan 0.000 0.435 254 G N -0.862 107.932 108.800 -0.009 0.000 2.316 254 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.203 254 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.203 254 G C 0.339 175.258 174.900 0.033 0.000 0.999 254 G CA -0.013 45.098 45.100 0.019 0.000 0.649 254 G HN 0.174 nan 8.290 nan 0.000 0.489 255 V N 0.004 119.939 119.914 0.035 0.000 3.134 255 V HA 0.957 5.077 4.120 -0.000 0.000 0.313 255 V C 0.953 177.064 176.094 0.029 0.000 1.069 255 V CA 0.081 62.410 62.300 0.049 0.000 1.048 255 V CB 1.310 33.179 31.823 0.076 0.000 1.119 255 V HN 1.239 nan 8.190 nan 0.000 0.461 256 G N 0.121 108.942 108.800 0.034 0.000 2.667 256 G HA2 0.388 4.348 3.960 -0.000 0.000 0.310 256 G HA3 0.388 4.348 3.960 -0.000 0.000 0.310 256 G C 0.034 174.952 174.900 0.029 0.000 1.259 256 G CA -0.604 44.512 45.100 0.026 0.000 1.019 256 G HN 0.720 nan 8.290 nan 0.000 0.496 257 N N 0.604 119.320 118.700 0.026 0.000 2.137 257 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 257 N C 1.915 177.442 175.510 0.028 0.000 1.017 257 N CA 1.653 54.720 53.050 0.027 0.000 0.859 257 N CB -0.067 38.436 38.487 0.026 0.000 1.002 257 N HN 0.602 nan 8.380 nan 0.000 0.428 258 N N 0.354 119.070 118.700 0.027 0.000 2.635 258 N HA -0.145 4.595 4.740 -0.000 0.000 0.191 258 N C 0.655 176.186 175.510 0.035 0.000 1.155 258 N CA 0.880 53.945 53.050 0.025 0.000 0.927 258 N CB -0.108 38.391 38.487 0.019 0.000 0.976 258 N HN 0.444 nan 8.380 nan 0.000 0.448 259 Q N -1.086 118.743 119.800 0.048 0.000 2.140 259 Q HA 0.227 4.567 4.340 -0.000 0.000 0.227 259 Q C 1.105 177.151 176.000 0.078 0.000 0.798 259 Q CA -0.360 55.492 55.803 0.083 0.000 0.987 259 Q CB 0.300 29.106 28.738 0.114 0.000 1.161 259 Q HN 0.180 nan 8.270 nan 0.000 0.480 260 L N 0.430 121.679 121.223 0.044 0.000 2.017 260 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 260 L C 2.162 179.043 176.870 0.019 0.000 1.073 260 L CA 2.404 57.260 54.840 0.026 0.000 0.745 260 L CB -0.842 41.231 42.059 0.023 0.000 0.894 260 L HN 0.143 nan 8.230 nan 0.000 0.432 261 S N -1.725 113.989 115.700 0.024 0.000 2.368 261 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 261 S C 2.274 176.890 174.600 0.026 0.000 1.030 261 S CA 1.737 59.947 58.200 0.016 0.000 0.999 261 S CB -0.722 62.487 63.200 0.015 0.000 0.844 261 S HN 0.662 nan 8.310 nan 0.000 0.459 262 S N 0.545 116.282 115.700 0.062 0.000 2.353 262 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 262 S C 1.843 176.505 174.600 0.103 0.000 1.035 262 S CA 1.541 59.817 58.200 0.127 0.000 1.025 262 S CB -0.829 62.490 63.200 0.198 0.000 0.902 262 S HN 0.485 nan 8.310 nan 0.000 0.440 263 L N 1.989 123.232 121.223 0.033 0.000 1.971 263 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 263 L C 2.247 179.018 176.870 -0.165 0.000 1.072 263 L CA 1.759 56.483 54.840 -0.194 0.000 0.758 263 L CB -0.663 41.309 42.059 -0.145 0.000 0.889 263 L HN 0.370 nan 8.230 nan 0.000 0.433 264 I N -1.162 119.359 120.570 -0.082 0.000 2.194 264 I HA -0.351 3.819 4.170 -0.000 0.000 0.246 264 I C 2.716 178.794 176.117 -0.065 0.000 1.093 264 I CA 1.926 63.186 61.300 -0.067 0.000 1.355 264 I CB -1.635 36.343 38.000 -0.037 0.000 1.046 264 I HN 0.408 nan 8.210 nan 0.000 0.413 265 S N 0.418 116.091 115.700 -0.045 0.000 2.368 265 S HA -0.185 4.285 4.470 -0.000 0.000 0.224 265 S C 2.379 176.950 174.600 -0.049 0.000 1.029 265 S CA 1.912 60.093 58.200 -0.032 0.000 0.988 265 S CB -0.365 62.833 63.200 -0.004 0.000 0.838 265 S HN 0.586 nan 8.310 nan 0.000 0.462 266 S N 0.696 116.347 115.700 -0.081 0.000 2.389 266 S HA -0.074 4.396 4.470 -0.000 0.000 0.231 266 S C 1.719 176.237 174.600 -0.137 0.000 1.052 266 S CA 2.373 60.493 58.200 -0.135 0.000 1.053 266 S CB -1.340 61.621 63.200 -0.399 0.000 0.886 266 S HN 1.739 nan 8.310 nan 0.000 0.456 267 G N 0.064 108.782 108.800 -0.137 0.000 2.141 267 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 267 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 267 G C 0.590 175.416 174.900 -0.123 0.000 0.982 267 G CA 0.431 45.470 45.100 -0.101 0.000 0.662 267 G HN 0.558 nan 8.290 nan 0.000 0.527 268 L N -0.085 121.015 121.223 -0.205 0.000 2.156 268 L HA 0.249 4.589 4.340 -0.000 0.000 0.208 268 L C 1.541 178.338 176.870 -0.123 0.000 1.095 268 L CA 0.819 55.533 54.840 -0.210 0.000 0.770 268 L CB -0.037 41.784 42.059 -0.397 0.000 0.914 268 L HN 0.329 nan 8.230 nan 0.000 0.439 269 I N 0.745 121.246 120.570 -0.115 0.000 2.281 269 I HA 0.080 4.250 4.170 -0.000 0.000 0.293 269 I C 0.386 176.480 176.117 -0.038 0.000 1.085 269 I CA -0.095 61.165 61.300 -0.067 0.000 1.257 269 I CB 0.450 38.410 38.000 -0.065 0.000 1.430 269 I HN 0.129 nan 8.210 nan 0.000 0.489 270 T N 2.001 116.543 114.554 -0.019 0.000 2.907 270 T HA 0.904 5.253 4.350 -0.000 0.000 0.290 270 T C -0.243 174.464 174.700 0.012 0.000 1.066 270 T CA -0.855 61.242 62.100 -0.004 0.000 1.012 270 T CB 2.406 71.271 68.868 -0.006 0.000 1.184 270 T HN 0.587 nan 8.240 nan 0.000 0.522 271 G N 0.574 109.386 108.800 0.020 0.000 2.684 271 G HA2 0.671 4.631 3.960 -0.000 0.000 0.290 271 G HA3 0.671 4.631 3.960 -0.000 0.000 0.290 271 G C -1.874 173.040 174.900 0.024 0.000 1.425 271 G CA -1.031 44.086 45.100 0.029 0.000 0.822 271 G HN 1.172 nan 8.290 nan 0.000 0.482 272 N N 0.104 118.815 118.700 0.019 0.000 2.405 272 N HA 0.442 5.182 4.740 -0.000 0.000 0.274 272 N C -3.511 172.000 175.510 0.001 0.000 1.170 272 N CA -1.450 51.606 53.050 0.010 0.000 0.848 272 N CB 3.063 41.555 38.487 0.008 0.000 1.629 272 N HN 0.354 nan 8.380 nan 0.000 0.481 273 P HA 0.234 nan 4.420 nan 0.000 0.271 273 P C 0.338 177.638 177.300 -0.001 0.000 1.216 273 P CA -0.297 62.794 63.100 -0.015 0.000 0.776 273 P CB 0.869 32.552 31.700 -0.028 0.000 0.881 274 I N 0.278 120.851 120.570 0.004 0.000 4.263 274 I HA 0.475 4.645 4.170 -0.000 0.000 0.335 274 I C -0.767 175.364 176.117 0.022 0.000 1.389 274 I CA -0.509 60.798 61.300 0.012 0.000 1.156 274 I CB 0.721 38.726 38.000 0.008 0.000 1.510 274 I HN 0.111 nan 8.210 nan 0.000 0.566 275 L N 1.388 122.634 121.223 0.038 0.000 2.735 275 L HA 0.537 4.877 4.340 -0.000 0.000 0.258 275 L C -2.550 174.397 176.870 0.130 0.000 0.920 275 L CA -0.476 54.398 54.840 0.056 0.000 0.958 275 L CB 1.743 43.817 42.059 0.025 0.000 1.499 275 L HN 0.206 nan 8.230 nan 0.000 0.441 276 Y N 4.312 124.595 120.300 -0.028 0.000 2.441 276 Y HA 0.408 4.958 4.550 -0.000 0.000 0.345 276 Y C -1.064 174.824 175.900 -0.020 0.000 1.129 276 Y CA -1.292 56.791 58.100 -0.029 0.000 1.333 276 Y CB 0.615 39.057 38.460 -0.031 0.000 1.104 276 Y HN 0.785 nan 8.280 nan 0.000 0.551 277 D N 3.091 123.315 120.400 -0.293 0.000 2.348 277 D HA 0.016 4.656 4.640 -0.000 0.000 0.259 277 D C 1.186 177.102 176.300 -0.640 0.000 1.296 277 D CA 0.970 54.753 54.000 -0.362 0.000 0.931 277 D CB 1.171 41.883 40.800 -0.146 0.000 1.067 277 D HN 0.655 nan 8.370 nan 0.000 0.503 278 S N 2.986 118.184 115.700 -0.835 0.000 2.402 278 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 278 S C 1.678 176.142 174.600 -0.227 0.000 1.021 278 S CA 1.147 58.943 58.200 -0.674 0.000 0.974 278 S CB -0.079 62.861 63.200 -0.433 0.000 0.800 278 S HN 0.636 nan 8.310 nan 0.000 0.484 279 Q N 0.956 120.653 119.800 -0.172 0.000 2.020 279 Q HA -0.068 4.272 4.340 -0.000 0.000 0.198 279 Q C 1.775 177.752 176.000 -0.039 0.000 0.974 279 Q CA 1.862 57.620 55.803 -0.075 0.000 0.829 279 Q CB -0.569 28.131 28.738 -0.064 0.000 0.894 279 Q HN 0.583 nan 8.270 nan 0.000 0.433 280 T N 0.611 115.136 114.554 -0.049 0.000 3.055 280 T HA -0.029 4.321 4.350 -0.000 0.000 0.265 280 T C -0.232 174.486 174.700 0.029 0.000 1.111 280 T CA 0.502 62.597 62.100 -0.009 0.000 1.118 280 T CB 0.117 68.976 68.868 -0.015 0.000 0.909 280 T HN 0.338 nan 8.240 nan 0.000 0.501 281 Q N 0.028 119.843 119.800 0.025 0.000 2.456 281 Q HA -0.123 4.217 4.340 -0.000 0.000 0.325 281 Q C -1.110 174.973 176.000 0.139 0.000 1.453 281 Q CA 0.206 56.087 55.803 0.130 0.000 0.848 281 Q CB -1.770 27.063 28.738 0.159 0.000 1.123 281 Q HN 0.401 nan 8.270 nan 0.000 0.374 282 L N 1.216 122.509 121.223 0.116 0.000 2.385 282 L HA 0.675 5.015 4.340 -0.000 0.000 0.273 282 L C -1.218 175.741 176.870 0.148 0.000 0.990 282 L CA -0.799 54.097 54.840 0.094 0.000 0.821 282 L CB 1.686 43.767 42.059 0.036 0.000 1.279 282 L HN 0.325 nan 8.230 nan 0.000 0.412 283 L N 3.958 125.223 121.223 0.071 0.000 2.341 283 L HA 0.848 5.188 4.340 -0.000 0.000 0.278 283 L C -0.079 176.760 176.870 -0.053 0.000 1.005 283 L CA -0.161 54.694 54.840 0.024 0.000 0.818 283 L CB 1.738 43.742 42.059 -0.093 0.000 1.259 283 L HN 0.642 nan 8.230 nan 0.000 0.418 284 G N 6.222 115.007 108.800 -0.026 0.000 2.671 284 G HA2 0.517 4.477 3.960 -0.000 0.000 0.318 284 G HA3 0.517 4.477 3.960 -0.000 0.000 0.318 284 G C -0.586 174.284 174.900 -0.049 0.000 1.250 284 G CA -0.307 44.768 45.100 -0.041 0.000 1.028 284 G HN 0.568 nan 8.290 nan 0.000 0.501 285 I N 0.810 121.331 120.570 -0.082 0.000 2.499 285 I HA 0.315 4.485 4.170 -0.000 0.000 0.296 285 I C 0.243 176.351 176.117 -0.014 0.000 0.992 285 I CA -0.544 60.725 61.300 -0.051 0.000 1.297 285 I CB 2.052 40.011 38.000 -0.068 0.000 1.410 285 I HN 0.359 nan 8.210 nan 0.000 0.507 286 Q N 5.323 125.125 119.800 0.003 0.000 2.363 286 Q HA 0.423 4.763 4.340 -0.000 0.000 0.265 286 Q C -1.575 174.438 176.000 0.021 0.000 1.032 286 Q CA -0.572 55.239 55.803 0.012 0.000 0.746 286 Q CB 1.659 30.402 28.738 0.010 0.000 1.237 286 Q HN 0.471 nan 8.270 nan 0.000 0.475 287 V N 2.785 122.715 119.914 0.028 0.000 2.953 287 V HA 0.408 4.528 4.120 -0.000 0.000 0.304 287 V C 0.055 176.161 176.094 0.019 0.000 1.073 287 V CA -0.106 62.211 62.300 0.030 0.000 1.064 287 V CB 1.823 33.669 31.823 0.039 0.000 1.047 287 V HN 0.825 nan 8.190 nan 0.000 0.478 288 T N 4.779 119.342 114.554 0.014 0.000 2.963 288 T HA 0.552 4.902 4.350 -0.000 0.000 0.328 288 T C -0.634 174.068 174.700 0.003 0.000 1.048 288 T CA -0.231 61.876 62.100 0.011 0.000 1.033 288 T CB 0.466 69.343 68.868 0.015 0.000 1.010 288 T HN 0.309 nan 8.240 nan 0.000 0.469 289 L N 5.913 127.136 121.223 -0.000 0.000 2.334 289 L HA 0.595 4.935 4.340 -0.000 0.000 0.275 289 L C -1.859 175.012 176.870 0.001 0.000 1.036 289 L CA -2.139 52.693 54.840 -0.014 0.000 0.807 289 L CB 1.337 43.382 42.059 -0.023 0.000 1.231 289 L HN 0.326 nan 8.230 nan 0.000 0.438 290 P HA 0.112 nan 4.420 nan 0.000 0.282 290 P C -0.868 176.461 177.300 0.048 0.000 1.287 290 P CA -0.553 62.577 63.100 0.050 0.000 0.792 290 P CB 1.409 33.113 31.700 0.007 0.000 1.163 291 S N 0.008 115.769 115.700 0.102 0.000 2.216 291 S HA 0.224 4.694 4.470 -0.000 0.000 0.156 291 S C -0.666 174.011 174.600 0.128 0.000 1.665 291 S CA -0.698 57.548 58.200 0.076 0.000 1.262 291 S CB -0.826 62.404 63.200 0.049 0.000 1.207 291 S HN 0.357 nan 8.310 nan 0.000 0.427 292 V N 3.714 123.715 119.914 0.146 0.000 2.521 292 V HA 0.768 4.888 4.120 -0.000 0.000 0.286 292 V C 0.500 176.679 176.094 0.141 0.000 1.034 292 V CA 0.597 63.026 62.300 0.216 0.000 1.045 292 V CB 0.741 32.735 31.823 0.284 0.000 0.974 292 V HN 0.765 nan 8.190 nan 0.000 0.480 293 G N 6.042 114.920 108.800 0.130 0.000 3.039 293 G HA2 0.203 4.163 3.960 -0.000 0.000 0.329 293 G HA3 0.203 4.163 3.960 -0.000 0.000 0.329 293 G C -0.122 174.815 174.900 0.062 0.000 1.361 293 G CA -0.640 44.504 45.100 0.074 0.000 1.088 293 G HN 0.927 nan 8.290 nan 0.000 0.501 294 N N 3.521 122.251 118.700 0.051 0.000 2.411 294 N HA 0.013 4.753 4.740 -0.000 0.000 0.265 294 N C 0.264 175.779 175.510 0.007 0.000 1.266 294 N CA -0.027 53.036 53.050 0.022 0.000 0.889 294 N CB 0.675 39.170 38.487 0.014 0.000 1.069 294 N HN 0.253 nan 8.380 nan 0.000 0.476 295 L N 2.679 123.899 121.223 -0.005 0.000 2.452 295 L HA 0.103 4.443 4.340 -0.000 0.000 0.267 295 L C 0.846 177.708 176.870 -0.014 0.000 1.188 295 L CA -0.217 54.615 54.840 -0.012 0.000 0.821 295 L CB 0.303 42.349 42.059 -0.021 0.000 1.102 295 L HN 0.566 nan 8.230 nan 0.000 0.470 296 N N 2.468 121.160 118.700 -0.013 0.000 2.400 296 N HA 0.176 4.916 4.740 -0.000 0.000 0.288 296 N C -0.054 175.448 175.510 -0.013 0.000 1.024 296 N CA -0.207 52.836 53.050 -0.011 0.000 0.894 296 N CB 1.064 39.547 38.487 -0.007 0.000 1.173 296 N HN 0.536 nan 8.380 nan 0.000 0.487 297 N N 0.110 118.803 118.700 -0.011 0.000 2.753 297 N HA -0.246 4.494 4.740 -0.000 0.000 0.251 297 N C -0.327 175.175 175.510 -0.014 0.000 1.097 297 N CA 0.690 53.735 53.050 -0.010 0.000 0.786 297 N CB -1.068 37.415 38.487 -0.007 0.000 1.137 297 N HN 0.612 nan 8.380 nan 0.000 0.566 298 M N 0.620 120.208 119.600 -0.019 0.000 2.336 298 M HA 0.342 4.822 4.480 -0.000 0.000 0.342 298 M C -0.764 175.522 176.300 -0.022 0.000 1.128 298 M CA -0.255 55.030 55.300 -0.025 0.000 1.016 298 M CB 1.178 33.758 32.600 -0.033 0.000 1.665 298 M HN -0.023 nan 8.290 nan 0.000 0.445 299 R N 3.133 123.621 120.500 -0.020 0.000 2.522 299 R HA 0.581 4.920 4.340 -0.000 0.000 0.283 299 R C -1.329 174.964 176.300 -0.012 0.000 1.074 299 R CA -0.733 55.361 56.100 -0.010 0.000 0.925 299 R CB 2.077 32.378 30.300 0.002 0.000 1.205 299 R HN 0.836 nan 8.270 nan 0.000 0.436 300 A N 1.716 124.533 122.820 -0.005 0.000 2.340 300 A HA 0.589 4.909 4.320 -0.000 0.000 0.268 300 A C -0.309 177.282 177.584 0.013 0.000 1.100 300 A CA -0.038 51.976 52.037 -0.037 0.000 0.803 300 A CB 0.843 19.810 19.000 -0.054 0.000 1.043 300 A HN 0.566 nan 8.150 nan 0.000 0.488 301 T N 2.150 116.678 114.554 -0.043 0.000 2.890 301 T HA 0.432 4.782 4.350 -0.000 0.000 0.295 301 T C -1.301 173.394 174.700 -0.008 0.000 0.993 301 T CA -0.025 62.103 62.100 0.047 0.000 0.979 301 T CB 0.260 69.147 68.868 0.033 0.000 0.967 301 T HN 0.380 nan 8.240 nan 0.000 0.441 302 Y N 3.051 123.354 120.300 0.004 0.000 2.359 302 Y HA 0.467 5.017 4.550 -0.000 0.000 0.334 302 Y C 0.424 176.328 175.900 0.006 0.000 1.058 302 Y CA -0.847 57.257 58.100 0.006 0.000 1.244 302 Y CB 0.327 38.790 38.460 0.005 0.000 1.187 302 Y HN 0.414 nan 8.280 nan 0.000 0.510 303 L N 3.322 124.601 121.223 0.094 0.000 2.334 303 L HA 0.654 4.994 4.340 -0.000 0.000 0.273 303 L C -0.348 176.555 176.870 0.054 0.000 1.013 303 L CA -0.908 53.967 54.840 0.059 0.000 0.816 303 L CB 2.155 44.225 42.059 0.018 0.000 1.278 303 L HN 0.497 nan 8.230 nan 0.000 0.431 304 E N 0.410 120.633 120.200 0.038 0.000 2.416 304 E HA 0.684 5.034 4.350 -0.000 0.000 0.273 304 E C -1.421 175.183 176.600 0.006 0.000 0.935 304 E CA -0.464 55.952 56.400 0.025 0.000 0.784 304 E CB 2.488 32.208 29.700 0.033 0.000 1.301 304 E HN 0.588 nan 8.360 nan 0.000 0.454 305 T N 0.198 114.749 114.554 -0.005 0.000 3.109 305 T HA 0.489 4.839 4.350 -0.000 0.000 0.311 305 T C -0.815 173.878 174.700 -0.010 0.000 1.011 305 T CA -0.958 61.132 62.100 -0.016 0.000 1.026 305 T CB 0.336 69.177 68.868 -0.045 0.000 1.047 305 T HN 0.219 nan 8.240 nan 0.000 0.448 306 L N 1.958 123.182 121.223 0.002 0.000 2.439 306 L HA 0.482 4.822 4.340 -0.000 0.000 0.259 306 L C 0.879 177.759 176.870 0.018 0.000 1.129 306 L CA -0.439 54.403 54.840 0.004 0.000 0.803 306 L CB 1.265 43.334 42.059 0.017 0.000 1.161 306 L HN 0.811 nan 8.230 nan 0.000 0.462 307 S N 0.948 116.654 115.700 0.011 0.000 2.498 307 S HA 0.174 4.644 4.470 -0.000 0.000 0.314 307 S C 0.122 174.754 174.600 0.053 0.000 1.141 307 S CA -0.220 57.998 58.200 0.031 0.000 1.087 307 S CB 0.366 63.562 63.200 -0.006 0.000 1.178 307 S HN 0.350 nan 8.310 nan 0.000 0.533 308 V N 3.649 123.630 119.914 0.112 0.000 3.083 308 V HA 0.286 4.406 4.120 -0.000 0.000 0.306 308 V C 1.038 177.195 176.094 0.104 0.000 1.077 308 V CA 0.314 62.686 62.300 0.120 0.000 1.073 308 V CB 1.899 33.846 31.823 0.207 0.000 1.081 308 V HN 0.859 nan 8.190 nan 0.000 0.474 309 S N 1.423 117.159 115.700 0.060 0.000 2.338 309 S HA 0.055 4.525 4.470 -0.000 0.000 0.197 309 S C 1.351 175.961 174.600 0.015 0.000 0.990 309 S CA 1.024 59.253 58.200 0.048 0.000 0.920 309 S CB -0.116 63.103 63.200 0.031 0.000 0.903 309 S HN 1.077 nan 8.310 nan 0.000 0.542 310 T N 1.625 116.177 114.554 -0.004 0.000 12.844 310 T HA -0.363 3.987 4.350 -0.000 0.000 0.417 310 T C 1.821 176.468 174.700 -0.088 0.000 1.443 310 T CA 3.364 65.427 62.100 -0.061 0.000 2.363 310 T CB -2.267 66.508 68.868 -0.155 0.000 2.817 310 T HN 0.734 nan 8.240 nan 0.000 0.709 311 T N 2.508 116.944 114.554 -0.196 0.000 2.635 311 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 311 T C 0.643 175.331 174.700 -0.020 0.000 1.040 311 T CA 2.158 64.166 62.100 -0.154 0.000 1.156 311 T CB -0.544 68.195 68.868 -0.215 0.000 0.863 311 T HN 1.110 nan 8.240 nan 0.000 0.430 312 K N -1.446 118.995 120.400 0.069 0.000 2.740 312 K HA 0.428 4.748 4.320 -0.000 0.000 0.279 312 K C 0.247 177.028 176.600 0.301 0.000 1.038 312 K CA -0.585 55.841 56.287 0.231 0.000 0.887 312 K CB 0.368 33.029 32.500 0.268 0.000 1.411 312 K HN -0.013 nan 8.250 nan 0.000 0.381 313 G N 1.172 110.109 108.800 0.229 0.000 3.327 313 G HA2 0.136 4.096 3.960 -0.000 0.000 0.218 313 G HA3 0.136 4.096 3.960 -0.000 0.000 0.218 313 G C -0.357 174.408 174.900 -0.224 0.000 1.261 313 G CA 0.235 45.319 45.100 -0.026 0.000 1.438 313 G HN 0.435 nan 8.290 nan 0.000 0.530 314 F N -0.473 119.492 119.950 0.025 0.000 2.817 314 F HA 0.461 4.988 4.527 -0.000 0.000 0.333 314 F C 1.595 177.430 175.800 0.059 0.000 1.085 314 F CA -0.830 57.189 58.000 0.032 0.000 1.170 314 F CB 0.042 39.056 39.000 0.023 0.000 1.066 314 F HN 0.207 nan 8.300 nan 0.000 0.564 315 A N 0.242 123.215 122.820 0.254 0.000 2.429 315 A HA 0.510 4.830 4.320 -0.000 0.000 0.242 315 A C 0.551 178.303 177.584 0.280 0.000 1.088 315 A CA 0.609 52.814 52.037 0.280 0.000 0.784 315 A CB 0.154 19.286 19.000 0.220 0.000 1.038 315 A HN 0.209 nan 8.150 nan 0.000 0.501 316 S N -0.675 115.238 115.700 0.356 0.000 2.188 316 S HA 0.439 4.908 4.470 -0.000 0.000 0.261 316 S C -0.290 174.258 174.600 -0.087 0.000 0.745 316 S CA -0.082 58.188 58.200 0.116 0.000 0.907 316 S CB -0.814 62.428 63.200 0.070 0.000 1.276 316 S HN 2.279 nan 8.310 nan 0.000 0.393 317 A N 3.957 126.486 122.820 -0.485 0.000 2.609 317 A HA 0.381 4.701 4.320 -0.000 0.000 0.235 317 A C -0.157 177.262 177.584 -0.275 0.000 1.092 317 A CA 0.410 52.023 52.037 -0.706 0.000 0.780 317 A CB 0.068 18.641 19.000 -0.711 0.000 1.031 317 A HN 0.836 nan 8.150 nan 0.000 0.515 318 L N 1.786 122.882 121.223 -0.211 0.000 2.342 318 L HA 0.593 4.933 4.340 -0.000 0.000 0.276 318 L C -0.100 176.724 176.870 -0.077 0.000 0.997 318 L CA -0.120 54.662 54.840 -0.096 0.000 0.838 318 L CB 0.548 42.578 42.059 -0.048 0.000 1.224 318 L HN 0.848 nan 8.230 nan 0.000 0.416 319 V N 2.241 122.120 119.914 -0.058 0.000 3.216 319 V HA 0.765 4.885 4.120 -0.000 0.000 0.302 319 V C -2.644 173.438 176.094 -0.021 0.000 1.286 319 V CA -1.782 60.497 62.300 -0.035 0.000 1.048 319 V CB 1.532 33.331 31.823 -0.040 0.000 1.081 319 V HN 0.533 nan 8.190 nan 0.000 0.442 320 P HA 0.410 nan 4.420 nan 0.000 0.273 320 P C 0.186 177.476 177.300 -0.017 0.000 1.250 320 P CA -0.364 62.731 63.100 -0.008 0.000 0.793 320 P CB 0.658 32.356 31.700 -0.002 0.000 1.011 321 K N -0.660 119.727 120.400 -0.020 0.000 2.262 321 K HA 0.160 4.480 4.320 -0.000 0.000 0.200 321 K C -0.315 176.232 176.600 -0.089 0.000 1.049 321 K CA 0.627 56.904 56.287 -0.017 0.000 0.979 321 K CB 0.345 32.850 32.500 0.010 0.000 0.773 321 K HN 0.172 nan 8.250 nan 0.000 0.474 322 V N 1.429 121.247 119.914 -0.159 0.000 2.777 322 V HA 0.293 4.413 4.120 -0.000 0.000 0.306 322 V C -0.895 175.080 176.094 -0.198 0.000 1.112 322 V CA -1.175 60.922 62.300 -0.338 0.000 0.917 322 V CB 1.797 33.287 31.823 -0.555 0.000 1.018 322 V HN -0.070 nan 8.190 nan 0.000 0.426 323 V N 0.355 120.163 119.914 -0.177 0.000 2.841 323 V HA 0.904 5.024 4.120 -0.000 0.000 0.310 323 V C -0.441 175.592 176.094 -0.102 0.000 1.090 323 V CA -0.343 61.895 62.300 -0.104 0.000 0.930 323 V CB 1.776 33.566 31.823 -0.055 0.000 1.014 323 V HN 0.873 nan 8.190 nan 0.000 0.425 324 T N 2.710 117.210 114.554 -0.090 0.000 2.937 324 T HA 0.817 5.167 4.350 -0.000 0.000 0.283 324 T C -0.840 173.821 174.700 -0.065 0.000 1.012 324 T CA -0.029 62.026 62.100 -0.075 0.000 0.997 324 T CB 1.718 70.538 68.868 -0.081 0.000 1.136 324 T HN 1.387 nan 8.240 nan 0.000 0.551 325 Q N 0.251 120.019 119.800 -0.053 0.000 2.468 325 Q HA 0.559 4.899 4.340 -0.000 0.000 0.263 325 Q C -2.308 173.670 176.000 -0.038 0.000 0.979 325 Q CA -0.989 54.783 55.803 -0.051 0.000 0.932 325 Q CB 1.160 29.879 28.738 -0.031 0.000 1.462 325 Q HN 0.380 nan 8.270 nan 0.000 0.403 326 V N 2.798 122.687 119.914 -0.043 0.000 2.327 326 V HA 0.738 4.858 4.120 -0.000 0.000 0.272 326 V C 0.850 176.931 176.094 -0.023 0.000 1.019 326 V CA 0.448 62.730 62.300 -0.031 0.000 0.814 326 V CB 0.042 31.843 31.823 -0.038 0.000 1.040 326 V HN 1.214 nan 8.190 nan 0.000 0.440 327 G N 4.573 113.369 108.800 -0.007 0.000 2.509 327 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.259 327 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.259 327 G C 1.170 176.081 174.900 0.018 0.000 1.169 327 G CA 0.667 45.770 45.100 0.006 0.000 0.953 327 G HN 1.339 nan 8.290 nan 0.000 0.563 328 S N -0.428 115.290 115.700 0.029 0.000 2.423 328 S HA 0.174 4.644 4.470 -0.000 0.000 0.231 328 S C 1.393 175.982 174.600 -0.018 0.000 1.014 328 S CA 1.552 59.796 58.200 0.074 0.000 0.965 328 S CB -0.535 62.724 63.200 0.099 0.000 0.785 328 S HN 1.688 nan 8.310 nan 0.000 0.495 329 V N 2.156 122.019 119.914 -0.086 0.000 2.655 329 V HA 0.326 4.446 4.120 -0.000 0.000 0.300 329 V C 0.192 176.156 176.094 -0.216 0.000 1.044 329 V CA 0.085 62.270 62.300 -0.192 0.000 1.095 329 V CB -0.081 31.665 31.823 -0.129 0.000 0.952 329 V HN 0.465 nan 8.190 nan 0.000 0.485 330 I N 3.804 124.167 120.570 -0.346 0.000 2.642 330 I HA 0.338 4.508 4.170 -0.000 0.000 0.273 330 I C -0.085 175.912 176.117 -0.199 0.000 1.208 330 I CA -0.146 61.014 61.300 -0.233 0.000 1.037 330 I CB 1.011 38.906 38.000 -0.175 0.000 1.253 330 I HN 0.742 nan 8.210 nan 0.000 0.504 331 E N 3.252 123.370 120.200 -0.138 0.000 2.254 331 E HA 0.408 4.758 4.350 -0.000 0.000 0.258 331 E C -0.561 176.003 176.600 -0.060 0.000 1.033 331 E CA -0.911 55.433 56.400 -0.094 0.000 0.893 331 E CB 1.889 31.529 29.700 -0.100 0.000 1.204 331 E HN 0.382 nan 8.360 nan 0.000 0.425 332 E N 1.128 121.320 120.200 -0.012 0.000 2.331 332 E HA 0.204 4.554 4.350 -0.000 0.000 0.272 332 E C -1.160 175.420 176.600 -0.033 0.000 1.036 332 E CA -0.305 56.104 56.400 0.015 0.000 0.864 332 E CB 0.738 30.511 29.700 0.121 0.000 1.035 332 E HN 0.295 nan 8.360 nan 0.000 0.408 333 L N 3.991 125.181 121.223 -0.054 0.000 2.295 333 L HA 0.262 4.602 4.340 -0.000 0.000 0.285 333 L C -0.684 176.175 176.870 -0.018 0.000 1.035 333 L CA -0.640 54.149 54.840 -0.084 0.000 0.806 333 L CB 1.368 43.361 42.059 -0.110 0.000 1.214 333 L HN 0.618 nan 8.230 nan 0.000 0.426 334 D N 2.509 122.905 120.400 -0.007 0.000 2.494 334 D HA 0.029 4.669 4.640 -0.000 0.000 0.217 334 D C 1.311 177.703 176.300 0.153 0.000 1.153 334 D CA -0.231 53.849 54.000 0.133 0.000 0.954 334 D CB 0.963 41.898 40.800 0.226 0.000 1.034 334 D HN 0.650 nan 8.370 nan 0.000 0.518 335 T N -0.459 114.145 114.554 0.083 0.000 3.077 335 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 335 T C 1.877 176.631 174.700 0.091 0.000 1.146 335 T CA 1.078 63.231 62.100 0.089 0.000 1.091 335 T CB -0.373 68.534 68.868 0.065 0.000 0.892 335 T HN 0.252 nan 8.240 nan 0.000 0.533 336 S N 1.050 116.768 115.700 0.030 0.000 2.441 336 S HA -0.190 4.280 4.470 -0.000 0.000 0.242 336 S C 0.897 175.358 174.600 -0.232 0.000 1.018 336 S CA 0.586 58.694 58.200 -0.155 0.000 0.988 336 S CB -0.986 62.014 63.200 -0.335 0.000 0.778 336 S HN 0.745 nan 8.310 nan 0.000 0.498 337 Y N 1.200 121.531 120.300 0.051 0.000 2.746 337 Y HA 0.513 5.063 4.550 -0.000 0.000 0.312 337 Y C 0.239 176.199 175.900 0.100 0.000 1.117 337 Y CA -1.248 56.888 58.100 0.060 0.000 1.324 337 Y CB -0.518 37.959 38.460 0.029 0.000 1.173 337 Y HN 0.267 nan 8.280 nan 0.000 0.529 338 c N 0.347 119.073 118.600 0.209 0.000 2.880 338 c HA 0.520 5.090 4.570 -0.000 0.000 0.320 338 c C 0.168 174.362 174.090 0.173 0.000 1.176 338 c CA -1.623 54.838 56.329 0.220 0.000 1.390 338 c CB 0.758 43.377 42.510 0.182 0.000 1.846 338 c HN 0.247 nan 8.230 nan 0.000 0.478 339 I N 2.085 122.766 120.570 0.184 0.000 2.529 339 I HA 0.223 4.393 4.170 -0.000 0.000 0.284 339 I C 0.515 176.713 176.117 0.136 0.000 1.082 339 I CA 0.557 61.931 61.300 0.123 0.000 1.406 339 I CB 0.568 38.609 38.000 0.069 0.000 1.405 339 I HN 0.725 nan 8.210 nan 0.000 0.548 340 E N 5.251 125.511 120.200 0.099 0.000 2.101 340 E HA 0.285 4.635 4.350 -0.000 0.000 0.260 340 E C -0.914 175.716 176.600 0.051 0.000 0.897 340 E CA -0.429 56.021 56.400 0.083 0.000 0.744 340 E CB 1.108 30.857 29.700 0.082 0.000 1.140 340 E HN 0.573 nan 8.360 nan 0.000 0.419 341 T N 3.034 117.628 114.554 0.067 0.000 2.881 341 T HA -0.001 4.349 4.350 -0.000 0.000 0.278 341 T C 0.861 175.557 174.700 -0.007 0.000 0.982 341 T CA -0.544 61.589 62.100 0.054 0.000 0.989 341 T CB 1.286 70.239 68.868 0.141 0.000 1.058 341 T HN 0.556 nan 8.240 nan 0.000 0.529 342 D N 0.256 120.647 120.400 -0.015 0.000 2.088 342 D HA -0.104 4.536 4.640 -0.000 0.000 0.191 342 D C 1.861 178.135 176.300 -0.043 0.000 0.992 342 D CA 1.457 55.431 54.000 -0.044 0.000 0.831 342 D CB 0.232 41.014 40.800 -0.030 0.000 0.973 342 D HN 0.173 nan 8.370 nan 0.000 0.447 343 L N 0.130 121.342 121.223 -0.019 0.000 2.270 343 L HA 0.127 4.467 4.340 -0.000 0.000 0.210 343 L C 0.013 176.855 176.870 -0.046 0.000 1.104 343 L CA 1.057 55.884 54.840 -0.021 0.000 0.804 343 L CB -0.094 41.962 42.059 -0.005 0.000 0.937 343 L HN -0.060 nan 8.230 nan 0.000 0.450 344 D N -2.369 117.989 120.400 -0.070 0.000 2.547 344 D HA 0.515 5.155 4.640 -0.000 0.000 0.231 344 D C -1.372 174.779 176.300 -0.248 0.000 1.099 344 D CA -0.389 53.484 54.000 -0.211 0.000 0.901 344 D CB 2.310 42.872 40.800 -0.398 0.000 1.478 344 D HN -0.326 nan 8.370 nan 0.000 0.471 345 L N 2.037 123.071 121.223 -0.315 0.000 2.298 345 L HA 0.397 4.737 4.340 -0.000 0.000 0.284 345 L C -1.518 175.162 176.870 -0.318 0.000 1.013 345 L CA -0.490 54.248 54.840 -0.170 0.000 0.824 345 L CB 0.617 42.659 42.059 -0.028 0.000 1.221 345 L HN 0.390 nan 8.230 nan 0.000 0.418 346 Y N 3.567 123.889 120.300 0.036 0.000 2.595 346 Y HA 0.373 4.923 4.550 -0.000 0.000 0.336 346 Y C 0.186 176.226 175.900 0.234 0.000 0.996 346 Y CA -0.448 57.676 58.100 0.040 0.000 1.260 346 Y CB 0.650 38.971 38.460 -0.231 0.000 1.108 346 Y HN 0.473 nan 8.280 nan 0.000 0.509 347 c N 0.628 119.454 118.600 0.376 0.000 2.365 347 c HA 0.310 4.880 4.570 -0.000 0.000 0.349 347 c C 1.775 176.014 174.090 0.249 0.000 1.191 347 c CA -0.529 55.994 56.329 0.323 0.000 2.114 347 c CB 1.494 44.096 42.510 0.153 0.000 2.367 347 c HN 0.869 nan 8.230 nan 0.000 0.530 348 T N 0.217 114.836 114.554 0.109 0.000 3.037 348 T HA 0.164 4.514 4.350 -0.000 0.000 0.251 348 T C 0.716 175.352 174.700 -0.106 0.000 1.079 348 T CA 0.823 62.841 62.100 -0.137 0.000 1.067 348 T CB -0.176 68.631 68.868 -0.102 0.000 0.948 348 T HN 0.734 nan 8.240 nan 0.000 0.496 349 R N -0.095 120.359 120.500 -0.076 0.000 2.826 349 R HA 0.442 4.782 4.340 -0.000 0.000 0.269 349 R C -1.989 174.216 176.300 -0.159 0.000 1.031 349 R CA -0.654 55.339 56.100 -0.178 0.000 0.900 349 R CB 0.897 30.982 30.300 -0.358 0.000 1.318 349 R HN 0.162 nan 8.270 nan 0.000 0.447 350 I N 2.626 123.069 120.570 -0.213 0.000 2.649 350 I HA 0.215 4.385 4.170 -0.000 0.000 0.275 350 I C -0.594 175.370 176.117 -0.254 0.000 1.153 350 I CA -0.425 60.769 61.300 -0.176 0.000 1.069 350 I CB 1.667 39.592 38.000 -0.125 0.000 1.227 350 I HN 0.164 nan 8.210 nan 0.000 0.505 351 V N 5.313 125.038 119.914 -0.316 0.000 2.407 351 V HA 0.589 4.709 4.120 -0.000 0.000 0.278 351 V C 0.606 176.409 176.094 -0.485 0.000 1.037 351 V CA -0.067 61.996 62.300 -0.394 0.000 0.900 351 V CB 1.792 33.392 31.823 -0.372 0.000 0.983 351 V HN 0.840 nan 8.190 nan 0.000 0.459 352 T N 1.939 116.107 114.554 -0.644 0.000 2.865 352 T HA 0.836 5.186 4.350 -0.000 0.000 0.294 352 T C -1.143 172.978 174.700 -0.965 0.000 1.119 352 T CA -0.623 61.062 62.100 -0.692 0.000 1.007 352 T CB 1.991 70.668 68.868 -0.318 0.000 1.225 352 T HN 0.148 nan 8.240 nan 0.000 0.515 353 F N -0.015 119.916 119.950 -0.030 0.000 2.599 353 F HA 0.705 5.232 4.527 -0.000 0.000 0.311 353 F C -2.627 173.149 175.800 -0.039 0.000 1.076 353 F CA -2.462 55.521 58.000 -0.028 0.000 0.937 353 F CB 1.640 40.630 39.000 -0.016 0.000 1.282 353 F HN 0.407 nan 8.300 nan 0.000 0.460 354 P HA 0.491 nan 4.420 nan 0.000 0.276 354 P C -0.966 176.374 177.300 0.066 0.000 1.252 354 P CA -0.576 62.558 63.100 0.057 0.000 0.802 354 P CB 0.800 32.523 31.700 0.038 0.000 1.035 355 M N -1.585 118.035 119.600 0.034 0.000 2.727 355 M HA 0.522 5.002 4.480 -0.000 0.000 0.300 355 M C 0.109 176.439 176.300 0.051 0.000 1.246 355 M CA -1.117 54.209 55.300 0.044 0.000 0.835 355 M CB 1.596 34.221 32.600 0.043 0.000 1.755 355 M HN 0.136 nan 8.290 nan 0.000 0.473 356 S N 0.652 116.382 115.700 0.049 0.000 2.561 356 S HA 0.098 4.568 4.470 -0.000 0.000 0.294 356 S C -1.820 172.831 174.600 0.086 0.000 1.294 356 S CA -0.543 57.689 58.200 0.054 0.000 1.055 356 S CB 0.205 63.430 63.200 0.041 0.000 0.819 356 S HN 0.571 nan 8.310 nan 0.000 0.503 357 P HA 0.062 nan 4.420 nan 0.000 0.222 357 P C 1.407 178.759 177.300 0.087 0.000 1.147 357 P CA 1.084 64.252 63.100 0.112 0.000 0.790 357 P CB -0.236 31.511 31.700 0.078 0.000 0.780 358 G N -0.028 108.808 108.800 0.061 0.000 2.394 358 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 358 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 358 G C 1.419 176.349 174.900 0.049 0.000 1.176 358 G CA 0.325 45.450 45.100 0.043 0.000 0.786 358 G HN 0.111 nan 8.290 nan 0.000 0.533 359 I N 0.193 120.804 120.570 0.067 0.000 2.127 359 I HA -0.170 4.000 4.170 -0.000 0.000 0.241 359 I C 2.466 178.660 176.117 0.129 0.000 1.075 359 I CA 1.138 62.481 61.300 0.073 0.000 1.334 359 I CB -1.256 36.784 38.000 0.066 0.000 1.040 359 I HN 0.226 nan 8.210 nan 0.000 0.405 360 Y N 1.775 122.078 120.300 0.005 0.000 2.151 360 Y HA -0.285 4.265 4.550 -0.000 0.000 0.284 360 Y C 3.004 178.908 175.900 0.007 0.000 1.166 360 Y CA 1.541 59.644 58.100 0.005 0.000 1.163 360 Y CB -0.888 37.576 38.460 0.006 0.000 0.974 360 Y HN 0.114 nan 8.280 nan 0.000 0.511 361 S N -0.877 114.758 115.700 -0.108 0.000 2.359 361 S HA -0.275 4.195 4.470 -0.000 0.000 0.223 361 S C 2.473 177.005 174.600 -0.114 0.000 1.039 361 S CA 1.679 59.755 58.200 -0.206 0.000 1.042 361 S CB -1.329 61.814 63.200 -0.095 0.000 0.915 361 S HN 0.735 nan 8.310 nan 0.000 0.439 362 c N 1.419 120.003 118.600 -0.027 0.000 2.440 362 c HA -0.029 4.541 4.570 -0.000 0.000 0.282 362 c C 2.547 176.640 174.090 0.005 0.000 1.223 362 c CA 1.299 57.627 56.329 -0.002 0.000 1.744 362 c CB -1.733 40.784 42.510 0.013 0.000 2.061 362 c HN 0.711 nan 8.230 nan 0.000 0.456 363 L N 1.567 122.811 121.223 0.034 0.000 2.197 363 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 363 L C 1.605 178.507 176.870 0.053 0.000 1.095 363 L CA 1.742 56.613 54.840 0.052 0.000 0.764 363 L CB -0.701 41.410 42.059 0.086 0.000 0.897 363 L HN 0.598 nan 8.230 nan 0.000 0.436 364 S N -0.424 115.291 115.700 0.025 0.000 3.681 364 S HA 0.519 4.989 4.470 -0.000 0.000 0.203 364 S C 1.045 175.611 174.600 -0.055 0.000 1.408 364 S CA -0.191 58.002 58.200 -0.013 0.000 0.942 364 S CB 0.543 63.675 63.200 -0.113 0.000 1.437 364 S HN 0.555 nan 8.310 nan 0.000 0.482 365 G N 3.048 111.839 108.800 -0.016 0.000 4.754 365 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.222 365 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.222 365 G C 0.371 175.262 174.900 -0.015 0.000 1.377 365 G CA 0.189 45.280 45.100 -0.015 0.000 0.942 365 G HN 0.871 nan 8.290 nan 0.000 0.671 366 N N 1.454 120.133 118.700 -0.035 0.000 2.273 366 N HA 0.216 4.956 4.740 -0.000 0.000 0.227 366 N C 0.959 176.472 175.510 0.005 0.000 1.292 366 N CA 1.727 54.765 53.050 -0.020 0.000 0.875 366 N CB 0.643 39.106 38.487 -0.040 0.000 1.105 366 N HN 0.449 nan 8.380 nan 0.000 0.434 367 T N 0.109 114.678 114.554 0.026 0.000 3.010 367 T HA 0.009 4.359 4.350 -0.000 0.000 0.252 367 T C 1.709 176.461 174.700 0.087 0.000 0.963 367 T CA 0.271 62.407 62.100 0.060 0.000 0.952 367 T CB -0.295 68.614 68.868 0.068 0.000 1.182 367 T HN 0.578 nan 8.240 nan 0.000 0.495 368 S N 2.005 117.740 115.700 0.058 0.000 2.359 368 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 368 S C 2.461 177.105 174.600 0.073 0.000 1.035 368 S CA 1.648 59.883 58.200 0.059 0.000 1.018 368 S CB -0.571 62.646 63.200 0.029 0.000 0.876 368 S HN 0.513 nan 8.310 nan 0.000 0.448 369 A N 0.590 123.438 122.820 0.047 0.000 2.009 369 A HA -0.131 4.189 4.320 -0.000 0.000 0.222 369 A C 1.569 179.195 177.584 0.071 0.000 1.175 369 A CA 1.244 53.306 52.037 0.042 0.000 0.651 369 A CB -1.763 17.244 19.000 0.012 0.000 0.815 369 A HN 0.647 nan 8.150 nan 0.000 0.459 370 c N 0.730 119.388 118.600 0.097 0.000 2.465 370 c HA 0.234 4.804 4.570 -0.000 0.000 0.402 370 c C 0.602 174.813 174.090 0.202 0.000 1.448 370 c CA 0.319 56.710 56.329 0.104 0.000 1.589 370 c CB -1.374 41.200 42.510 0.108 0.000 2.535 370 c HN 0.569 nan 8.230 nan 0.000 0.600 371 M N 5.894 125.557 119.600 0.105 0.000 2.114 371 M HA 0.375 4.855 4.480 -0.000 0.000 0.332 371 M C -0.808 175.581 176.300 0.149 0.000 1.014 371 M CA -0.242 55.164 55.300 0.178 0.000 0.956 371 M CB 0.875 33.528 32.600 0.088 0.000 1.551 371 M HN 0.560 nan 8.290 nan 0.000 0.427 372 Y N 0.896 121.210 120.300 0.024 0.000 2.356 372 Y HA 0.737 5.287 4.550 -0.000 0.000 0.341 372 Y C 0.972 176.891 175.900 0.030 0.000 1.343 372 Y CA -0.773 57.345 58.100 0.030 0.000 1.570 372 Y CB 0.931 39.414 38.460 0.039 0.000 1.558 372 Y HN 0.784 nan 8.280 nan 0.000 0.557 373 S N -0.764 115.065 115.700 0.214 0.000 2.654 373 S HA 0.520 4.990 4.470 -0.000 0.000 0.267 373 S C -2.052 172.630 174.600 0.137 0.000 1.151 373 S CA -1.201 57.078 58.200 0.133 0.000 0.873 373 S CB 1.105 64.352 63.200 0.079 0.000 1.181 373 S HN 0.622 nan 8.310 nan 0.000 0.489 374 K N 0.671 121.137 120.400 0.111 0.000 3.098 374 K HA 0.409 4.729 4.320 -0.000 0.000 0.170 374 K C -0.217 176.434 176.600 0.085 0.000 1.106 374 K CA -0.641 55.720 56.287 0.124 0.000 0.864 374 K CB 0.403 33.025 32.500 0.204 0.000 1.047 374 K HN 0.493 nan 8.250 nan 0.000 0.609 375 T N -0.823 113.764 114.554 0.056 0.000 3.043 375 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 375 T C 0.571 175.288 174.700 0.028 0.000 1.094 375 T CA 0.423 62.544 62.100 0.036 0.000 1.127 375 T CB -0.006 68.875 68.868 0.022 0.000 0.905 375 T HN 0.357 nan 8.240 nan 0.000 0.490 376 E N 1.014 121.230 120.200 0.027 0.000 2.461 376 E HA 0.427 4.777 4.350 -0.000 0.000 0.263 376 E C 0.624 177.230 176.600 0.009 0.000 1.143 376 E CA 0.432 56.837 56.400 0.008 0.000 0.994 376 E CB 0.185 29.884 29.700 -0.001 0.000 0.973 376 E HN 0.399 nan 8.360 nan 0.000 0.457 377 G N -0.341 108.455 108.800 -0.007 0.000 2.667 377 G HA2 0.505 4.465 3.960 -0.000 0.000 0.310 377 G HA3 0.505 4.465 3.960 -0.000 0.000 0.310 377 G C 0.491 175.379 174.900 -0.021 0.000 1.259 377 G CA -0.162 44.934 45.100 -0.006 0.000 1.019 377 G HN 0.568 nan 8.290 nan 0.000 0.496 378 A N -0.436 122.374 122.820 -0.017 0.000 1.873 378 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 378 A C 2.213 179.776 177.584 -0.035 0.000 1.193 378 A CA 1.405 53.426 52.037 -0.026 0.000 0.629 378 A CB -0.692 18.299 19.000 -0.014 0.000 0.826 378 A HN 0.502 nan 8.150 nan 0.000 0.447 379 L N 0.696 121.902 121.223 -0.030 0.000 2.551 379 L HA -0.025 4.315 4.340 -0.000 0.000 0.228 379 L C 1.380 178.214 176.870 -0.060 0.000 1.153 379 L CA 0.699 55.517 54.840 -0.036 0.000 0.851 379 L CB -1.200 40.844 42.059 -0.025 0.000 0.959 379 L HN 0.581 nan 8.230 nan 0.000 0.451 380 T N -1.463 113.051 114.554 -0.067 0.000 2.817 380 T HA 0.029 4.379 4.350 -0.000 0.000 0.295 380 T C 0.457 175.068 174.700 -0.149 0.000 0.958 380 T CA -0.318 61.724 62.100 -0.096 0.000 1.157 380 T CB 0.810 69.633 68.868 -0.075 0.000 0.898 380 T HN 0.122 nan 8.240 nan 0.000 0.536 381 T N 4.974 119.382 114.554 -0.243 0.000 2.916 381 T HA 0.268 4.618 4.350 -0.000 0.000 0.303 381 T C -1.272 173.166 174.700 -0.436 0.000 1.025 381 T CA -1.498 60.326 62.100 -0.461 0.000 1.142 381 T CB 0.360 68.712 68.868 -0.860 0.000 0.947 381 T HN 0.562 nan 8.240 nan 0.000 0.544 382 P HA 0.076 nan 4.420 nan 0.000 0.221 382 P C -0.502 176.776 177.300 -0.037 0.000 1.150 382 P CA 0.782 63.818 63.100 -0.107 0.000 0.800 382 P CB -0.115 31.603 31.700 0.031 0.000 0.787 383 Y N -0.514 119.781 120.300 -0.009 0.000 2.488 383 Y HA 0.711 5.261 4.550 -0.000 0.000 0.325 383 Y C 0.451 176.349 175.900 -0.003 0.000 1.204 383 Y CA -1.821 56.276 58.100 -0.006 0.000 1.229 383 Y CB 0.524 38.979 38.460 -0.007 0.000 1.274 383 Y HN -0.211 nan 8.280 nan 0.000 0.493 384 M N 0.057 119.763 119.600 0.176 0.000 2.846 384 M HA 0.875 5.355 4.480 -0.000 0.000 0.282 384 M C -1.532 174.843 176.300 0.124 0.000 1.266 384 M CA -0.547 54.810 55.300 0.095 0.000 0.766 384 M CB 2.440 35.062 32.600 0.036 0.000 1.739 384 M HN 0.614 nan 8.290 nan 0.000 0.442 385 T N 1.128 115.728 114.554 0.077 0.000 2.901 385 T HA 0.872 5.222 4.350 -0.000 0.000 0.293 385 T C -1.890 172.831 174.700 0.035 0.000 1.084 385 T CA -0.563 61.573 62.100 0.061 0.000 1.008 385 T CB 1.918 70.822 68.868 0.060 0.000 1.170 385 T HN 0.670 nan 8.240 nan 0.000 0.509 386 L N 2.080 123.318 121.223 0.025 0.000 2.787 386 L HA 0.367 4.707 4.340 -0.000 0.000 0.260 386 L C -1.110 175.764 176.870 0.007 0.000 0.921 386 L CA -0.461 54.386 54.840 0.012 0.000 0.984 386 L CB 1.221 43.289 42.059 0.015 0.000 1.519 386 L HN 0.716 nan 8.230 nan 0.000 0.452 387 K N 4.426 124.825 120.400 -0.001 0.000 4.166 387 K HA -0.160 4.160 4.320 -0.000 0.000 0.276 387 K C 0.943 177.544 176.600 0.003 0.000 0.808 387 K CA 1.004 57.289 56.287 -0.002 0.000 0.717 387 K CB -1.474 31.022 32.500 -0.006 0.000 1.774 387 K HN 1.323 nan 8.250 nan 0.000 0.427 388 G N 0.220 109.024 108.800 0.006 0.000 2.283 388 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.280 388 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.280 388 G C -0.015 174.888 174.900 0.006 0.000 1.029 388 G CA 0.604 45.708 45.100 0.008 0.000 0.840 388 G HN 1.038 nan 8.290 nan 0.000 0.505 389 S N -2.831 112.874 115.700 0.008 0.000 2.656 389 S HA 0.786 5.256 4.470 -0.000 0.000 0.273 389 S C -0.770 173.839 174.600 0.015 0.000 1.168 389 S CA -0.216 57.988 58.200 0.007 0.000 0.817 389 S CB 2.635 65.839 63.200 0.007 0.000 1.146 389 S HN 1.820 nan 8.310 nan 0.000 0.475 390 V N 1.168 121.090 119.914 0.013 0.000 2.498 390 V HA 0.572 4.692 4.120 -0.000 0.000 0.283 390 V C -1.049 175.067 176.094 0.036 0.000 1.015 390 V CA -0.719 61.598 62.300 0.029 0.000 0.867 390 V CB 0.280 32.110 31.823 0.012 0.000 1.025 390 V HN 0.923 nan 8.190 nan 0.000 0.441 391 I N 6.205 126.804 120.570 0.048 0.000 2.634 391 I HA 0.682 4.852 4.170 -0.000 0.000 0.284 391 I C 0.706 176.867 176.117 0.074 0.000 1.124 391 I CA 1.084 62.412 61.300 0.047 0.000 1.417 391 I CB 1.301 39.326 38.000 0.042 0.000 1.396 391 I HN 0.938 nan 8.210 nan 0.000 0.571 392 A N 5.147 128.005 122.820 0.063 0.000 2.610 392 A HA 0.435 4.755 4.320 -0.000 0.000 0.291 392 A C -1.019 176.598 177.584 0.055 0.000 1.086 392 A CA -0.705 51.385 52.037 0.088 0.000 0.677 392 A CB 1.362 20.423 19.000 0.103 0.000 1.278 392 A HN 0.602 nan 8.150 nan 0.000 0.414 393 N N 0.995 119.732 118.700 0.061 0.000 3.105 393 N HA 0.146 4.886 4.740 -0.000 0.000 0.256 393 N C 0.623 176.146 175.510 0.023 0.000 1.174 393 N CA -0.242 52.827 53.050 0.031 0.000 1.030 393 N CB 0.023 38.526 38.487 0.026 0.000 1.305 393 N HN 0.531 nan 8.380 nan 0.000 0.509 394 c N 1.408 120.013 118.600 0.008 0.000 2.409 394 c HA -0.093 4.477 4.570 -0.000 0.000 0.288 394 c C 2.393 176.471 174.090 -0.019 0.000 1.395 394 c CA 0.523 56.850 56.329 -0.005 0.000 1.792 394 c CB -0.773 41.726 42.510 -0.017 0.000 1.847 394 c HN 0.663 nan 8.230 nan 0.000 0.534 395 K N 0.714 121.096 120.400 -0.031 0.000 2.103 395 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 395 K C 1.992 178.575 176.600 -0.028 0.000 1.052 395 K CA 1.239 57.498 56.287 -0.047 0.000 0.945 395 K CB -0.250 32.210 32.500 -0.067 0.000 0.722 395 K HN 0.408 nan 8.250 nan 0.000 0.443 396 M N 0.475 120.066 119.600 -0.015 0.000 2.492 396 M HA -0.032 4.448 4.480 -0.000 0.000 0.262 396 M C -0.555 175.745 176.300 0.001 0.000 1.090 396 M CA 0.861 56.153 55.300 -0.013 0.000 1.110 396 M CB 0.316 32.909 32.600 -0.013 0.000 1.407 396 M HN 0.230 nan 8.290 nan 0.000 0.470 397 T N -3.546 111.016 114.554 0.014 0.000 2.830 397 T HA 0.297 4.647 4.350 -0.000 0.000 0.322 397 T C -0.352 174.353 174.700 0.007 0.000 1.501 397 T CA -0.797 61.316 62.100 0.022 0.000 1.036 397 T CB 0.979 69.886 68.868 0.064 0.000 1.379 397 T HN 0.163 nan 8.240 nan 0.000 0.493 398 T N -0.375 114.178 114.554 -0.002 0.000 2.817 398 T HA 0.319 4.669 4.350 -0.000 0.000 0.295 398 T C 0.432 175.115 174.700 -0.029 0.000 0.958 398 T CA -0.614 61.477 62.100 -0.015 0.000 1.157 398 T CB -0.765 68.094 68.868 -0.015 0.000 0.898 398 T HN 0.805 nan 8.240 nan 0.000 0.536 399 c N 5.503 124.084 118.600 -0.032 0.000 2.560 399 c HA 0.366 4.936 4.570 -0.000 0.000 0.506 399 c C 1.231 175.295 174.090 -0.044 0.000 1.116 399 c CA -0.821 55.480 56.329 -0.047 0.000 1.425 399 c CB -1.955 40.532 42.510 -0.037 0.000 1.543 399 c HN 0.851 nan 8.230 nan 0.000 0.586 400 R N 0.743 121.215 120.500 -0.046 0.000 2.442 400 R HA 0.209 4.549 4.340 -0.000 0.000 0.291 400 R C -0.191 176.083 176.300 -0.042 0.000 1.069 400 R CA 0.193 56.271 56.100 -0.038 0.000 1.022 400 R CB 0.397 30.677 30.300 -0.034 0.000 0.976 400 R HN 0.652 nan 8.270 nan 0.000 0.443 401 c N 5.221 123.800 118.600 -0.034 0.000 2.206 401 c HA 0.413 4.983 4.570 -0.000 0.000 0.324 401 c C 1.597 175.670 174.090 -0.028 0.000 1.120 401 c CA -0.493 55.816 56.329 -0.033 0.000 1.546 401 c CB -0.571 41.921 42.510 -0.029 0.000 2.023 401 c HN 0.963 nan 8.230 nan 0.000 0.448 402 A N 3.749 126.552 122.820 -0.029 0.000 1.917 402 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 402 A C 1.736 179.307 177.584 -0.022 0.000 1.182 402 A CA 2.364 54.386 52.037 -0.024 0.000 0.633 402 A CB -0.478 18.507 19.000 -0.025 0.000 0.819 402 A HN 0.891 nan 8.150 nan 0.000 0.448 403 D N -0.362 120.024 120.400 -0.023 0.000 1.825 403 D HA 0.074 4.714 4.640 -0.000 0.000 0.312 403 D C -2.045 174.244 176.300 -0.020 0.000 1.066 403 D CA -0.616 53.371 54.000 -0.022 0.000 0.826 403 D CB -0.872 39.914 40.800 -0.024 0.000 1.144 403 D HN 0.055 nan 8.370 nan 0.000 0.392 404 P HA 0.109 nan 4.420 nan 0.000 0.254 404 P C -2.394 174.896 177.300 -0.017 0.000 1.186 404 P CA -0.312 62.778 63.100 -0.017 0.000 0.868 404 P CB 0.391 32.081 31.700 -0.016 0.000 0.856 405 P HA 0.269 nan 4.420 nan 0.000 0.268 405 P C 0.348 177.639 177.300 -0.014 0.000 1.208 405 P CA 0.645 63.736 63.100 -0.015 0.000 0.777 405 P CB 0.579 32.271 31.700 -0.013 0.000 0.875 406 G N 0.688 109.479 108.800 -0.015 0.000 2.348 406 G HA2 0.150 4.110 3.960 -0.000 0.000 0.606 406 G HA3 0.150 4.110 3.960 -0.000 0.000 0.606 406 G C -1.708 173.182 174.900 -0.017 0.000 1.466 406 G CA -0.893 44.198 45.100 -0.014 0.000 0.950 406 G HN 0.343 nan 8.290 nan 0.000 0.657 407 I N 2.247 122.807 120.570 -0.016 0.000 2.312 407 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 407 I C 0.931 177.036 176.117 -0.020 0.000 1.031 407 I CA -0.919 60.370 61.300 -0.019 0.000 1.293 407 I CB 1.179 39.169 38.000 -0.017 0.000 1.403 407 I HN 0.389 nan 8.210 nan 0.000 0.484 408 I N 5.143 125.699 120.570 -0.023 0.000 2.618 408 I HA 0.068 4.238 4.170 -0.000 0.000 0.284 408 I C 0.705 176.807 176.117 -0.025 0.000 1.146 408 I CA 0.733 62.020 61.300 -0.022 0.000 1.425 408 I CB 0.483 38.469 38.000 -0.024 0.000 1.383 408 I HN 0.566 nan 8.210 nan 0.000 0.562 409 S N 5.744 121.429 115.700 -0.025 0.000 2.651 409 S HA 0.774 5.244 4.470 -0.000 0.000 0.279 409 S C -1.166 173.410 174.600 -0.041 0.000 1.148 409 S CA -0.567 57.612 58.200 -0.036 0.000 0.837 409 S CB 2.176 65.355 63.200 -0.035 0.000 1.138 409 S HN 0.693 nan 8.310 nan 0.000 0.478 410 Q N 1.474 121.234 119.800 -0.067 0.000 2.633 410 Q HA 0.614 4.954 4.340 -0.000 0.000 0.289 410 Q C -1.938 173.970 176.000 -0.153 0.000 0.940 410 Q CA -1.136 54.623 55.803 -0.074 0.000 0.785 410 Q CB 1.324 30.029 28.738 -0.055 0.000 1.467 410 Q HN 0.509 nan 8.270 nan 0.000 0.401 411 N N 0.069 118.661 118.700 -0.180 0.000 2.555 411 N HA 0.270 5.010 4.740 -0.000 0.000 0.265 411 N C -1.850 173.480 175.510 -0.300 0.000 1.135 411 N CA -0.264 52.519 53.050 -0.444 0.000 0.925 411 N CB 1.313 39.431 38.487 -0.614 0.000 1.662 411 N HN 0.675 nan 8.380 nan 0.000 0.489 412 Y N 0.284 120.590 120.300 0.010 0.000 2.595 412 Y HA -0.181 4.369 4.550 -0.000 0.000 0.071 412 Y C 1.516 177.422 175.900 0.011 0.000 1.761 412 Y CA 1.330 59.435 58.100 0.009 0.000 1.349 412 Y CB -1.620 36.843 38.460 0.006 0.000 1.993 412 Y HN 0.898 nan 8.280 nan 0.000 0.269 413 G N 1.030 109.899 108.800 0.115 0.000 2.225 413 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.254 413 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.254 413 G C 0.963 175.892 174.900 0.048 0.000 0.988 413 G CA 0.538 45.685 45.100 0.078 0.000 0.625 413 G HN 0.645 nan 8.290 nan 0.000 0.527 414 E N -0.186 120.029 120.200 0.025 0.000 2.086 414 E HA 0.313 4.663 4.350 -0.000 0.000 0.190 414 E C 2.413 179.022 176.600 0.016 0.000 0.975 414 E CA 1.213 57.620 56.400 0.012 0.000 0.813 414 E CB -0.161 29.532 29.700 -0.012 0.000 0.768 414 E HN 1.487 nan 8.360 nan 0.000 0.457 415 A N -0.179 122.647 122.820 0.011 0.000 1.693 415 A HA -0.277 4.043 4.320 -0.000 0.000 0.227 415 A C 0.704 178.301 177.584 0.021 0.000 0.457 415 A CA 1.809 53.862 52.037 0.027 0.000 1.106 415 A CB -1.808 17.224 19.000 0.053 0.000 1.453 415 A HN 0.522 nan 8.150 nan 0.000 0.714 416 V N -3.383 116.542 119.914 0.018 0.000 2.932 416 V HA 0.795 4.914 4.120 -0.000 0.000 0.307 416 V C -0.037 176.065 176.094 0.013 0.000 1.147 416 V CA -0.097 62.214 62.300 0.019 0.000 0.951 416 V CB 1.539 33.380 31.823 0.030 0.000 1.031 416 V HN 1.105 nan 8.190 nan 0.000 0.426 417 S N 2.700 118.406 115.700 0.011 0.000 2.645 417 S HA 0.727 5.197 4.470 -0.000 0.000 0.266 417 S C -0.074 174.534 174.600 0.013 0.000 1.258 417 S CA -0.517 57.686 58.200 0.006 0.000 0.990 417 S CB 1.348 64.548 63.200 0.000 0.000 0.967 417 S HN 0.950 nan 8.310 nan 0.000 0.556 418 L N 1.351 122.580 121.223 0.009 0.000 2.861 418 L HA 0.445 4.785 4.340 -0.000 0.000 0.290 418 L C -1.119 175.753 176.870 0.004 0.000 1.346 418 L CA -0.243 54.604 54.840 0.011 0.000 0.779 418 L CB -0.128 41.938 42.059 0.011 0.000 1.143 418 L HN 0.604 nan 8.230 nan 0.000 0.548 419 I N 1.121 121.691 120.570 -0.000 0.000 3.197 419 I HA -0.182 3.988 4.170 -0.000 0.000 0.293 419 I C 0.560 176.672 176.117 -0.007 0.000 1.227 419 I CA 0.773 62.068 61.300 -0.008 0.000 1.369 419 I CB -0.239 37.750 38.000 -0.018 0.000 1.441 419 I HN 0.463 nan 8.210 nan 0.000 0.539 420 D N 4.204 124.600 120.400 -0.007 0.000 2.478 420 D HA 0.276 4.916 4.640 -0.000 0.000 0.263 420 D C 1.425 177.719 176.300 -0.010 0.000 1.153 420 D CA -0.751 53.246 54.000 -0.006 0.000 1.038 420 D CB 0.889 41.687 40.800 -0.004 0.000 1.120 420 D HN 0.459 nan 8.370 nan 0.000 0.564 421 R N 0.064 120.558 120.500 -0.009 0.000 2.115 421 R HA -0.094 4.246 4.340 -0.000 0.000 0.230 421 R C 1.672 177.964 176.300 -0.014 0.000 1.111 421 R CA 1.234 57.327 56.100 -0.013 0.000 0.976 421 R CB -0.323 29.970 30.300 -0.012 0.000 0.870 421 R HN 0.452 nan 8.270 nan 0.000 0.445 422 Q N 0.949 120.743 119.800 -0.011 0.000 1.990 422 Q HA -0.094 4.246 4.340 -0.000 0.000 0.200 422 Q C 2.380 178.373 176.000 -0.012 0.000 0.980 422 Q CA 1.654 57.451 55.803 -0.011 0.000 0.832 422 Q CB -0.224 28.509 28.738 -0.008 0.000 0.897 422 Q HN 0.363 nan 8.270 nan 0.000 0.427 423 S N -0.706 114.988 115.700 -0.010 0.000 2.392 423 S HA -0.170 4.300 4.470 -0.000 0.000 0.232 423 S C 0.508 175.099 174.600 -0.015 0.000 1.041 423 S CA 1.012 59.206 58.200 -0.011 0.000 1.026 423 S CB -0.186 63.008 63.200 -0.010 0.000 0.845 423 S HN 0.529 nan 8.310 nan 0.000 0.465 424 c N -0.632 117.957 118.600 -0.017 0.000 3.292 424 c HA 0.545 5.115 4.570 -0.000 0.000 0.368 424 c C 0.317 174.393 174.090 -0.023 0.000 1.141 424 c CA -0.831 55.485 56.329 -0.021 0.000 1.194 424 c CB 0.073 42.568 42.510 -0.024 0.000 1.533 424 c HN 0.377 nan 8.230 nan 0.000 0.532 425 N N 1.282 119.967 118.700 -0.025 0.000 2.405 425 N HA 0.383 5.123 4.740 -0.000 0.000 0.175 425 N C -0.168 175.325 175.510 -0.028 0.000 1.051 425 N CA 0.962 53.996 53.050 -0.027 0.000 0.899 425 N CB 0.184 38.654 38.487 -0.029 0.000 1.000 425 N HN 0.741 nan 8.380 nan 0.000 0.451 426 I N 1.074 121.626 120.570 -0.030 0.000 2.714 426 I HA 0.153 4.323 4.170 -0.000 0.000 0.274 426 I C -0.650 175.441 176.117 -0.042 0.000 1.261 426 I CA -0.314 60.966 61.300 -0.033 0.000 1.008 426 I CB 1.566 39.549 38.000 -0.028 0.000 1.289 426 I HN -0.079 nan 8.210 nan 0.000 0.529 427 L N 3.091 124.282 121.223 -0.053 0.000 2.473 427 L HA 0.245 4.585 4.340 -0.000 0.000 0.265 427 L C 0.239 177.057 176.870 -0.088 0.000 1.243 427 L CA 0.635 55.432 54.840 -0.072 0.000 0.822 427 L CB 0.986 42.992 42.059 -0.089 0.000 1.101 427 L HN 0.542 nan 8.230 nan 0.000 0.507 428 S N 2.583 118.218 115.700 -0.109 0.000 2.680 428 S HA 0.212 4.682 4.470 -0.000 0.000 0.140 428 S C -0.802 173.713 174.600 -0.142 0.000 1.357 428 S CA -0.656 57.476 58.200 -0.114 0.000 1.201 428 S CB 0.345 63.502 63.200 -0.071 0.000 1.547 428 S HN 0.247 nan 8.310 nan 0.000 0.411 429 L N 3.575 124.647 121.223 -0.251 0.000 2.382 429 L HA 0.214 4.554 4.340 -0.000 0.000 0.259 429 L C 0.141 176.914 176.870 -0.161 0.000 1.291 429 L CA 0.366 55.040 54.840 -0.278 0.000 1.176 429 L CB -2.139 39.512 42.059 -0.679 0.000 1.373 429 L HN 0.607 nan 8.230 nan 0.000 0.426 430 D N 1.379 121.737 120.400 -0.070 0.000 5.513 430 D HA -0.226 4.414 4.640 -0.000 0.000 0.223 430 D C 1.121 177.419 176.300 -0.003 0.000 1.238 430 D CA 0.993 54.982 54.000 -0.018 0.000 1.325 430 D CB -0.325 40.486 40.800 0.018 0.000 0.898 430 D HN 0.735 nan 8.370 nan 0.000 0.499 431 G N 2.018 110.814 108.800 -0.006 0.000 2.498 431 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.229 431 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.229 431 G C 0.492 175.388 174.900 -0.005 0.000 1.156 431 G CA 0.508 45.611 45.100 0.006 0.000 0.680 431 G HN 1.197 nan 8.290 nan 0.000 0.512 432 I N -0.082 120.470 120.570 -0.030 0.000 2.465 432 I HA 0.766 4.936 4.170 -0.000 0.000 0.291 432 I C -0.085 175.977 176.117 -0.091 0.000 1.014 432 I CA -0.338 60.935 61.300 -0.044 0.000 1.093 432 I CB 2.370 40.359 38.000 -0.019 0.000 1.267 432 I HN 0.257 nan 8.210 nan 0.000 0.431 433 T N 4.349 118.866 114.554 -0.061 0.000 2.797 433 T HA 0.762 5.112 4.350 -0.000 0.000 0.279 433 T C -0.587 174.082 174.700 -0.052 0.000 0.991 433 T CA -0.660 61.401 62.100 -0.065 0.000 0.979 433 T CB 1.583 70.425 68.868 -0.043 0.000 0.943 433 T HN 0.401 nan 8.240 nan 0.000 0.444 434 L N 2.288 123.474 121.223 -0.062 0.000 2.346 434 L HA 0.545 4.885 4.340 -0.000 0.000 0.274 434 L C 0.507 177.359 176.870 -0.029 0.000 1.007 434 L CA -0.898 53.918 54.840 -0.040 0.000 0.818 434 L CB 1.770 43.801 42.059 -0.047 0.000 1.284 434 L HN 0.618 nan 8.230 nan 0.000 0.424 435 R N 1.834 122.327 120.500 -0.012 0.000 2.298 435 R HA 0.239 4.579 4.340 -0.000 0.000 0.310 435 R C 0.071 176.366 176.300 -0.008 0.000 1.068 435 R CA -0.433 55.662 56.100 -0.008 0.000 0.957 435 R CB 0.833 31.138 30.300 0.009 0.000 1.003 435 R HN 0.422 nan 8.270 nan 0.000 0.454 436 L N 1.487 122.700 121.223 -0.015 0.000 2.607 436 L HA 0.161 4.501 4.340 -0.000 0.000 0.228 436 L C 0.494 177.357 176.870 -0.011 0.000 1.123 436 L CA 0.758 55.590 54.840 -0.013 0.000 0.890 436 L CB 0.128 42.176 42.059 -0.018 0.000 1.103 436 L HN 0.464 nan 8.230 nan 0.000 0.468 437 S N -1.494 114.197 115.700 -0.015 0.000 2.550 437 S HA 0.839 5.309 4.470 -0.000 0.000 0.270 437 S C -0.630 173.947 174.600 -0.040 0.000 1.145 437 S CA 0.037 58.222 58.200 -0.024 0.000 0.852 437 S CB 1.657 64.837 63.200 -0.033 0.000 1.119 437 S HN 0.198 nan 8.310 nan 0.000 0.465 438 G N 1.460 110.224 108.800 -0.060 0.000 2.466 438 G HA2 0.584 4.544 3.960 -0.000 0.000 0.291 438 G HA3 0.584 4.544 3.960 -0.000 0.000 0.291 438 G C -2.036 172.749 174.900 -0.192 0.000 1.460 438 G CA -0.512 44.505 45.100 -0.138 0.000 0.791 438 G HN 0.760 nan 8.290 nan 0.000 0.505 439 E N -1.340 118.580 120.200 -0.467 0.000 2.401 439 E HA 0.677 5.027 4.350 -0.000 0.000 0.280 439 E C -1.956 174.149 176.600 -0.825 0.000 1.039 439 E CA -0.655 55.515 56.400 -0.384 0.000 0.814 439 E CB 2.294 31.863 29.700 -0.217 0.000 1.275 439 E HN 0.384 nan 8.360 nan 0.000 0.448 440 F N 0.530 120.480 119.950 -0.000 0.000 2.665 440 F HA 0.368 4.895 4.527 -0.000 0.000 0.308 440 F C -1.285 174.518 175.800 0.004 0.000 1.112 440 F CA -0.696 57.305 58.000 0.002 0.000 0.972 440 F CB 2.038 41.039 39.000 0.003 0.000 1.295 440 F HN 0.280 nan 8.300 nan 0.000 0.440 441 D N 1.026 121.538 120.400 0.187 0.000 2.661 441 D HA 0.858 5.498 4.640 -0.000 0.000 0.228 441 D C -1.200 175.162 176.300 0.103 0.000 1.183 441 D CA -0.811 53.256 54.000 0.112 0.000 0.844 441 D CB 2.331 43.168 40.800 0.062 0.000 1.555 441 D HN 0.783 nan 8.370 nan 0.000 0.453 442 A N 0.441 123.310 122.820 0.082 0.000 2.586 442 A HA 0.859 5.179 4.320 -0.000 0.000 0.290 442 A C -1.372 176.255 177.584 0.072 0.000 1.086 442 A CA -0.746 51.336 52.037 0.075 0.000 0.665 442 A CB 1.720 20.770 19.000 0.082 0.000 1.279 442 A HN 0.426 nan 8.150 nan 0.000 0.423 443 T N 0.259 114.855 114.554 0.070 0.000 2.893 443 T HA 0.591 4.941 4.350 -0.000 0.000 0.293 443 T C -1.770 172.987 174.700 0.095 0.000 1.027 443 T CA -0.120 62.023 62.100 0.073 0.000 0.988 443 T CB 1.215 70.103 68.868 0.033 0.000 1.043 443 T HN 0.554 nan 8.240 nan 0.000 0.461 444 Y N 3.157 123.457 120.300 0.000 0.000 2.341 444 Y HA 0.576 5.126 4.550 -0.000 0.000 0.338 444 Y C -0.316 175.583 175.900 -0.002 0.000 0.965 444 Y CA -0.368 57.730 58.100 -0.003 0.000 1.108 444 Y CB 1.224 39.681 38.460 -0.006 0.000 1.180 444 Y HN 0.761 nan 8.280 nan 0.000 0.458 445 Q N 3.419 123.062 119.800 -0.262 0.000 2.594 445 Q HA 0.409 4.749 4.340 -0.000 0.000 0.278 445 Q C -2.099 173.781 176.000 -0.201 0.000 0.961 445 Q CA -1.280 54.444 55.803 -0.131 0.000 0.844 445 Q CB 2.017 30.719 28.738 -0.061 0.000 1.475 445 Q HN 0.540 nan 8.270 nan 0.000 0.389 446 K N 1.072 121.406 120.400 -0.109 0.000 2.318 446 K HA 0.513 4.833 4.320 -0.000 0.000 0.249 446 K C -1.239 175.328 176.600 -0.055 0.000 0.942 446 K CA -0.821 55.409 56.287 -0.096 0.000 0.808 446 K CB 1.232 33.695 32.500 -0.060 0.000 1.189 446 K HN 0.699 nan 8.250 nan 0.000 0.428 447 N N 4.312 122.981 118.700 -0.051 0.000 2.558 447 N HA 0.280 5.020 4.740 -0.000 0.000 0.242 447 N C -0.236 175.260 175.510 -0.023 0.000 0.979 447 N CA -0.343 52.687 53.050 -0.033 0.000 0.931 447 N CB 0.697 39.163 38.487 -0.034 0.000 1.122 447 N HN 0.522 nan 8.380 nan 0.000 0.508 448 I N 0.296 120.857 120.570 -0.015 0.000 2.993 448 I HA 0.005 4.175 4.170 -0.000 0.000 0.286 448 I C 0.887 176.999 176.117 -0.009 0.000 1.215 448 I CA 0.445 61.739 61.300 -0.009 0.000 1.393 448 I CB 0.565 38.563 38.000 -0.004 0.000 1.371 448 I HN 0.306 nan 8.210 nan 0.000 0.602 449 S N 5.284 120.981 115.700 -0.006 0.000 2.385 449 S HA 0.359 4.829 4.470 -0.000 0.000 0.191 449 S C -0.373 174.226 174.600 -0.002 0.000 1.196 449 S CA -0.767 57.430 58.200 -0.005 0.000 1.178 449 S CB -0.041 63.155 63.200 -0.007 0.000 1.258 449 S HN 0.456 nan 8.310 nan 0.000 0.430 450 I N 1.011 121.580 120.570 -0.001 0.000 3.112 450 I HA 0.432 4.602 4.170 -0.000 0.000 0.284 450 I C 0.095 176.212 176.117 0.001 0.000 1.227 450 I CA -0.208 61.093 61.300 0.001 0.000 1.369 450 I CB 0.448 38.449 38.000 0.001 0.000 1.376 450 I HN 0.334 nan 8.210 nan 0.000 0.608 451 Q N 2.406 122.208 119.800 0.002 0.000 2.351 451 Q HA 0.416 4.756 4.340 -0.000 0.000 0.273 451 Q C -1.306 174.696 176.000 0.003 0.000 1.077 451 Q CA -0.581 55.223 55.803 0.002 0.000 0.843 451 Q CB 2.242 30.982 28.738 0.003 0.000 1.367 451 Q HN 0.793 nan 8.270 nan 0.000 0.449 452 D N -0.727 119.675 120.400 0.003 0.000 2.442 452 D HA 0.623 5.263 4.640 -0.000 0.000 0.254 452 D C -0.195 176.108 176.300 0.005 0.000 1.069 452 D CA -0.592 53.411 54.000 0.004 0.000 1.017 452 D CB 1.269 42.071 40.800 0.003 0.000 1.172 452 D HN 0.333 nan 8.370 nan 0.000 0.561 453 S N -1.029 114.675 115.700 0.006 0.000 3.132 453 S HA 0.685 5.155 4.470 -0.000 0.000 0.322 453 S C -1.834 172.771 174.600 0.008 0.000 1.124 453 S CA -0.401 57.803 58.200 0.007 0.000 0.906 453 S CB 0.791 63.996 63.200 0.008 0.000 1.349 453 S HN 0.717 nan 8.310 nan 0.000 0.686 454 Q N 0.000 119.806 119.800 0.010 0.000 2.315 454 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 454 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 454 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 454 Q HN 0.000 nan 8.270 nan 0.000 0.481