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 1hc1_1_F DATA FIRST_RESID 5 DATA SEQUENCE TGNAQKQQDI NHLLDKIYEP TKYPDLKDIA ENFNPLGDTS IYNDHGAAVE DATA SEQUENCE TLMKELNDHR LLEQRHWYSL FNTRQRKEAL MLFAVLNQcK EWYcFRSNAA DATA SEQUENCE YFRERMNEGE FVYALYVSVI HSKLGDGIVL PPLYQITPHM FTNSEVIDKA DATA SEQUENCE YSAKMTQKPG TFNVSFXXXX KNREQRVAYF GEDIGMNIHH VTWHMDFPFW DATA SEQUENCE WEDSYGYHLD RKGELFFWVH HQLTARFDFE RLSNWLDPVD ELHWDRIIRE DATA SEQUENCE GFAPLTSYKY GGEFPVRPDN IHFEDVDGVA HVHDLEITES RIHEAIDHGY DATA SEQUENCE ITDSDGHTID IRQPKGIELL GDIIESSKYS SNVQYYGSLH NTAHVMLGRQ DATA SEQUENCE GDPHGKFNLP PGVMEHFETA TRDPSFFRLH KYMDNIFKKH TDSFPPYTHD DATA SEQUENCE NLEFSGMVVN GVAIDGELIT FFDEFQYSLI NAVDSGENIE DVEINARVHR DATA SEQUENCE LNHNEFTYKI TMSNNNDGER LATFRIFLcP IEDNNGITLT LDEARWFcIE DATA SEQUENCE LDKFFQKVPS GPETIERSSK DSSVTVPDMP SFQSLKEQAD NAVNGGXXLD DATA SEQUENCE LSAYERScGI PDRMLLPKSK PEGMEFNLYV AVTDGDKDTE GHXXXXXXXX DATA SEQUENCE XHAQcGVHGE AYPDNRPLGY PLERRIPDER VIDGVSNIKH VVVKIVHHL 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.595 174.700 -0.174 0.000 1.109 5 T CA 0.000 62.005 62.100 -0.158 0.000 1.349 5 T CB 0.000 68.777 68.868 -0.152 0.000 0.612 6 G N 1.506 110.186 108.800 -0.199 0.000 2.145 6 G HA2 0.160 4.120 3.960 -0.000 0.000 0.203 6 G HA3 0.160 4.120 3.960 -0.000 0.000 0.203 6 G C -0.002 174.764 174.900 -0.223 0.000 1.096 6 G CA 0.997 46.000 45.100 -0.162 0.000 1.282 6 G HN 1.740 nan 8.290 nan 0.000 0.474 7 N N -2.434 116.124 118.700 -0.237 0.000 2.494 7 N HA 0.243 4.982 4.740 -0.000 0.000 0.295 7 N C 1.618 177.014 175.510 -0.189 0.000 1.001 7 N CA 1.525 54.419 53.050 -0.260 0.000 1.691 7 N CB -0.848 37.508 38.487 -0.218 0.000 2.217 7 N HN 1.688 nan 8.380 nan 0.000 1.217 8 A N -0.199 122.544 122.820 -0.129 0.000 2.277 8 A HA 0.033 4.353 4.320 -0.000 0.000 0.208 8 A C 1.536 179.066 177.584 -0.091 0.000 1.202 8 A CA 1.088 53.071 52.037 -0.090 0.000 0.762 8 A CB -0.388 18.574 19.000 -0.062 0.000 0.770 8 A HN 0.459 nan 8.150 nan 0.000 0.487 9 Q N -0.775 118.950 119.800 -0.125 0.000 2.642 9 Q HA 0.080 4.420 4.340 -0.000 0.000 0.202 9 Q C 1.595 177.539 176.000 -0.092 0.000 0.845 9 Q CA 0.502 56.248 55.803 -0.095 0.000 0.873 9 Q CB -0.346 28.331 28.738 -0.101 0.000 1.190 9 Q HN 0.616 nan 8.270 nan 0.000 0.642 10 K N 1.270 121.471 120.400 -0.333 0.000 2.034 10 K HA -0.278 4.042 4.320 -0.000 0.000 0.214 10 K C 2.118 178.684 176.600 -0.057 0.000 1.051 10 K CA 2.048 58.014 56.287 -0.535 0.000 0.931 10 K CB -0.168 31.518 32.500 -1.356 0.000 0.715 10 K HN 0.065 nan 8.250 nan 0.000 0.446 11 Q N 1.485 121.196 119.800 -0.148 0.000 2.029 11 Q HA -0.290 4.050 4.340 -0.000 0.000 0.209 11 Q C 2.178 178.144 176.000 -0.056 0.000 0.999 11 Q CA 2.382 58.139 55.803 -0.076 0.000 0.857 11 Q CB -0.317 28.370 28.738 -0.085 0.000 0.926 11 Q HN 0.363 nan 8.270 nan 0.000 0.415 12 Q N -0.113 119.622 119.800 -0.107 0.000 2.029 12 Q HA -0.268 4.072 4.340 -0.000 0.000 0.209 12 Q C 1.673 177.465 176.000 -0.346 0.000 0.999 12 Q CA 2.307 57.961 55.803 -0.248 0.000 0.857 12 Q CB -0.384 28.211 28.738 -0.238 0.000 0.926 12 Q HN 0.549 nan 8.270 nan 0.000 0.415 13 D N -0.096 120.232 120.400 -0.120 0.000 2.126 13 D HA -0.213 4.427 4.640 -0.000 0.000 0.190 13 D C 1.976 178.293 176.300 0.029 0.000 1.001 13 D CA 1.663 55.661 54.000 -0.003 0.000 0.841 13 D CB -0.212 40.737 40.800 0.248 0.000 0.949 13 D HN 0.294 nan 8.370 nan 0.000 0.446 14 I N 2.209 122.843 120.570 0.105 0.000 2.091 14 I HA -0.283 3.887 4.170 -0.000 0.000 0.239 14 I C 2.099 178.280 176.117 0.107 0.000 1.061 14 I CA 1.161 62.526 61.300 0.108 0.000 1.317 14 I CB -0.679 37.372 38.000 0.086 0.000 1.031 14 I HN 0.030 nan 8.210 nan 0.000 0.401 15 N N -0.350 118.414 118.700 0.107 0.000 2.132 15 N HA -0.249 4.491 4.740 -0.000 0.000 0.191 15 N C 1.900 177.576 175.510 0.278 0.000 1.015 15 N CA 1.852 55.079 53.050 0.296 0.000 0.864 15 N CB -0.665 37.929 38.487 0.179 0.000 1.006 15 N HN 0.634 nan 8.380 nan 0.000 0.430 16 H N 0.659 119.658 119.070 -0.119 0.000 2.357 16 H HA 0.055 4.611 4.556 -0.000 0.000 0.301 16 H C 2.333 177.548 175.328 -0.189 0.000 1.082 16 H CA 0.432 56.177 56.048 -0.504 0.000 1.342 16 H CB 0.088 29.386 29.762 -0.772 0.000 1.389 16 H HN 0.083 nan 8.280 nan 0.000 0.511 17 L N 0.613 121.908 121.223 0.120 0.000 2.012 17 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 17 L C 1.410 178.433 176.870 0.255 0.000 1.073 17 L CA 1.090 56.045 54.840 0.192 0.000 0.748 17 L CB -0.170 42.040 42.059 0.251 0.000 0.891 17 L HN 0.273 nan 8.230 nan 0.000 0.431 18 L N -0.675 120.694 121.223 0.243 0.000 2.715 18 L HA 0.132 4.472 4.340 -0.000 0.000 0.238 18 L C -0.223 176.796 176.870 0.247 0.000 1.212 18 L CA -0.309 54.654 54.840 0.206 0.000 1.017 18 L CB -0.583 41.521 42.059 0.075 0.000 1.269 18 L HN 0.086 nan 8.230 nan 0.000 0.452 19 D N 0.668 121.260 120.400 0.319 0.000 2.168 19 D HA 0.185 4.824 4.640 -0.000 0.000 0.246 19 D C 0.137 176.612 176.300 0.291 0.000 1.050 19 D CA -0.533 53.715 54.000 0.414 0.000 0.857 19 D CB 0.788 41.863 40.800 0.459 0.000 1.169 19 D HN -0.025 nan 8.370 nan 0.000 0.453 20 K N 2.904 123.476 120.400 0.286 0.000 3.415 20 K HA -0.249 4.071 4.320 -0.000 0.000 0.271 20 K C 0.997 177.695 176.600 0.164 0.000 0.876 20 K CA -0.110 56.320 56.287 0.238 0.000 0.670 20 K CB -1.018 31.614 32.500 0.219 0.000 1.510 20 K HN 0.511 nan 8.250 nan 0.000 0.455 21 I N 0.074 120.679 120.570 0.059 0.000 2.290 21 I HA -0.306 3.864 4.170 -0.000 0.000 0.253 21 I C 1.471 177.515 176.117 -0.122 0.000 1.112 21 I CA 1.787 63.041 61.300 -0.077 0.000 1.377 21 I CB -0.167 37.716 38.000 -0.195 0.000 1.060 21 I HN 0.327 nan 8.210 nan 0.000 0.428 22 Y N 1.719 122.138 120.300 0.198 0.000 2.584 22 Y HA 0.184 4.734 4.550 -0.000 0.000 0.317 22 Y C 0.356 176.374 175.900 0.196 0.000 1.208 22 Y CA -0.036 58.207 58.100 0.237 0.000 1.299 22 Y CB -0.747 37.856 38.460 0.238 0.000 1.047 22 Y HN 0.339 nan 8.280 nan 0.000 0.506 23 E N -0.469 119.858 120.200 0.212 0.000 2.352 23 E HA 0.250 4.600 4.350 -0.000 0.000 0.280 23 E C -2.900 173.748 176.600 0.080 0.000 0.930 23 E CA -2.647 53.841 56.400 0.147 0.000 0.765 23 E CB 1.606 31.393 29.700 0.145 0.000 1.219 23 E HN -0.214 nan 8.360 nan 0.000 0.434 24 P HA -0.131 nan 4.420 nan 0.000 0.263 24 P C 0.039 177.359 177.300 0.034 0.000 1.162 24 P CA 0.434 63.540 63.100 0.010 0.000 0.758 24 P CB -0.022 31.678 31.700 -0.001 0.000 0.773 25 T N 0.293 114.867 114.554 0.033 0.000 2.940 25 T HA 0.090 4.440 4.350 -0.000 0.000 0.309 25 T C 1.000 175.744 174.700 0.073 0.000 1.056 25 T CA -0.395 61.762 62.100 0.095 0.000 1.137 25 T CB 0.784 69.732 68.868 0.133 0.000 0.976 25 T HN 0.330 nan 8.240 nan 0.000 0.547 26 K N 0.816 121.261 120.400 0.075 0.000 2.404 26 K HA 0.081 4.401 4.320 -0.000 0.000 0.194 26 K C -0.544 175.970 176.600 -0.144 0.000 1.023 26 K CA 0.137 56.386 56.287 -0.064 0.000 1.094 26 K CB 0.169 32.586 32.500 -0.138 0.000 0.841 26 K HN 0.631 nan 8.250 nan 0.000 0.523 27 Y N 2.034 122.295 120.300 -0.066 0.000 2.535 27 Y HA 0.119 4.669 4.550 -0.000 0.000 0.349 27 Y C -1.563 174.321 175.900 -0.028 0.000 0.992 27 Y CA -2.739 55.306 58.100 -0.091 0.000 1.248 27 Y CB 0.472 38.821 38.460 -0.185 0.000 1.124 27 Y HN -0.013 nan 8.280 nan 0.000 0.520 28 P HA -0.303 nan 4.420 nan 0.000 0.220 28 P C 0.949 178.300 177.300 0.084 0.000 1.155 28 P CA 2.176 65.313 63.100 0.062 0.000 0.880 28 P CB 0.348 32.072 31.700 0.039 0.000 0.790 29 D N 0.367 120.836 120.400 0.115 0.000 2.084 29 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 29 D C 2.252 178.609 176.300 0.096 0.000 0.990 29 D CA 1.045 55.112 54.000 0.112 0.000 0.826 29 D CB -1.181 39.701 40.800 0.137 0.000 0.971 29 D HN 0.213 nan 8.370 nan 0.000 0.453 30 L N 1.069 122.356 121.223 0.107 0.000 2.081 30 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 30 L C 2.744 179.636 176.870 0.038 0.000 1.080 30 L CA 1.987 56.866 54.840 0.065 0.000 0.754 30 L CB -0.525 41.584 42.059 0.082 0.000 0.893 30 L HN 0.207 nan 8.230 nan 0.000 0.433 31 K N -0.198 120.230 120.400 0.048 0.000 2.076 31 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 31 K C 1.604 178.225 176.600 0.035 0.000 1.051 31 K CA 1.356 57.657 56.287 0.024 0.000 0.949 31 K CB -0.549 31.961 32.500 0.017 0.000 0.726 31 K HN 0.413 nan 8.250 nan 0.000 0.443 32 D N 2.066 122.498 120.400 0.053 0.000 2.218 32 D HA -0.169 4.471 4.640 -0.000 0.000 0.204 32 D C 1.953 178.308 176.300 0.092 0.000 0.976 32 D CA 0.850 54.889 54.000 0.065 0.000 0.853 32 D CB -0.161 40.677 40.800 0.064 0.000 0.939 32 D HN 0.369 nan 8.370 nan 0.000 0.481 33 I N 1.640 122.264 120.570 0.089 0.000 2.163 33 I HA -0.211 3.958 4.170 -0.000 0.000 0.240 33 I C 2.965 179.156 176.117 0.124 0.000 1.081 33 I CA 1.128 62.495 61.300 0.113 0.000 1.353 33 I CB -0.532 37.492 38.000 0.040 0.000 1.054 33 I HN -0.009 nan 8.210 nan 0.000 0.407 34 A N 0.476 123.321 122.820 0.042 0.000 2.042 34 A HA -0.241 4.079 4.320 -0.000 0.000 0.222 34 A C 2.154 179.743 177.584 0.009 0.000 1.167 34 A CA 1.988 54.011 52.037 -0.023 0.000 0.649 34 A CB -0.514 18.436 19.000 -0.083 0.000 0.809 34 A HN 0.562 nan 8.150 nan 0.000 0.457 35 E N -1.076 119.162 120.200 0.064 0.000 2.094 35 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 35 E C 1.495 178.173 176.600 0.130 0.000 0.950 35 E CA 0.474 56.916 56.400 0.069 0.000 0.842 35 E CB -0.163 29.562 29.700 0.042 0.000 0.816 35 E HN 0.505 nan 8.360 nan 0.000 0.465 36 N N 0.584 119.367 118.700 0.137 0.000 2.354 36 N HA -0.051 4.689 4.740 -0.000 0.000 0.179 36 N C 0.453 176.054 175.510 0.152 0.000 1.021 36 N CA 0.342 53.468 53.050 0.126 0.000 0.887 36 N CB -0.119 38.430 38.487 0.105 0.000 0.974 36 N HN -0.006 nan 8.380 nan 0.000 0.437 37 F N 2.014 122.002 119.950 0.062 0.000 2.496 37 F HA 0.099 4.626 4.527 -0.000 0.000 0.344 37 F C 0.720 176.449 175.800 -0.118 0.000 1.155 37 F CA 0.085 58.080 58.000 -0.009 0.000 1.302 37 F CB 0.496 39.480 39.000 -0.028 0.000 1.159 37 F HN -0.098 nan 8.300 nan 0.000 0.595 38 N N 6.117 124.465 118.700 -0.586 0.000 2.581 38 N HA 0.255 4.995 4.740 -0.000 0.000 0.279 38 N C -2.515 172.626 175.510 -0.615 0.000 1.124 38 N CA -1.500 51.260 53.050 -0.482 0.000 0.833 38 N CB 1.981 40.297 38.487 -0.284 0.000 1.338 38 N HN 0.196 nan 8.380 nan 0.000 0.533 39 P HA 0.006 nan 4.420 nan 0.000 0.231 39 P C 0.580 177.934 177.300 0.091 0.000 1.158 39 P CA 0.568 63.703 63.100 0.058 0.000 0.763 39 P CB 0.309 32.060 31.700 0.086 0.000 0.805 40 L N -1.717 119.471 121.223 -0.058 0.000 2.965 40 L HA 0.410 4.750 4.340 -0.000 0.000 0.254 40 L C 1.452 178.303 176.870 -0.032 0.000 1.220 40 L CA 0.270 55.108 54.840 -0.004 0.000 1.023 40 L CB -0.251 41.795 42.059 -0.022 0.000 1.355 40 L HN -0.102 nan 8.230 nan 0.000 0.545 41 G N -1.329 107.418 108.800 -0.088 0.000 3.863 41 G HA2 0.249 4.209 3.960 -0.000 0.000 0.290 41 G HA3 0.249 4.209 3.960 -0.000 0.000 0.290 41 G C -0.266 174.601 174.900 -0.054 0.000 1.018 41 G CA 0.056 45.107 45.100 -0.082 0.000 0.824 41 G HN 0.153 nan 8.290 nan 0.000 0.507 42 D N -0.066 120.328 120.400 -0.010 0.000 3.491 42 D HA -0.007 4.632 4.640 -0.000 0.000 0.240 42 D C -0.243 176.093 176.300 0.060 0.000 1.487 42 D CA -0.359 53.650 54.000 0.014 0.000 0.936 42 D CB -0.501 40.294 40.800 -0.007 0.000 1.451 42 D HN -0.133 nan 8.370 nan 0.000 0.678 43 T N 0.855 115.485 114.554 0.127 0.000 3.162 43 T HA 0.338 4.688 4.350 -0.000 0.000 0.264 43 T C 0.869 175.704 174.700 0.224 0.000 0.959 43 T CA 0.899 63.147 62.100 0.245 0.000 1.118 43 T CB 0.332 69.324 68.868 0.207 0.000 0.979 43 T HN 0.268 nan 8.240 nan 0.000 0.679 44 S N 1.975 117.769 115.700 0.157 0.000 1.913 44 S HA 0.009 4.479 4.470 -0.000 0.000 0.231 44 S C 1.556 176.177 174.600 0.034 0.000 0.854 44 S CA -0.028 58.249 58.200 0.129 0.000 1.513 44 S CB -0.378 62.883 63.200 0.101 0.000 1.020 44 S HN 0.625 nan 8.310 nan 0.000 0.455 45 I N 0.094 120.612 120.570 -0.088 0.000 2.546 45 I HA 0.209 4.379 4.170 -0.000 0.000 0.255 45 I C 0.053 176.050 176.117 -0.200 0.000 1.163 45 I CA 0.506 61.697 61.300 -0.182 0.000 1.457 45 I CB -0.579 37.239 38.000 -0.304 0.000 1.092 45 I HN 0.156 nan 8.210 nan 0.000 0.434 46 Y N 2.550 122.871 120.300 0.035 0.000 2.308 46 Y HA 0.301 4.851 4.550 -0.000 0.000 0.329 46 Y C 1.238 177.070 175.900 -0.113 0.000 1.111 46 Y CA -1.008 57.080 58.100 -0.020 0.000 1.179 46 Y CB 0.090 38.541 38.460 -0.016 0.000 1.201 46 Y HN -0.000 nan 8.280 nan 0.000 0.483 47 N N 1.710 120.443 118.700 0.055 0.000 2.461 47 N HA -0.091 4.649 4.740 -0.000 0.000 0.188 47 N C 0.049 175.450 175.510 -0.183 0.000 1.134 47 N CA 0.659 53.659 53.050 -0.083 0.000 0.878 47 N CB 0.232 38.716 38.487 -0.006 0.000 0.972 47 N HN 0.742 nan 8.380 nan 0.000 0.456 48 D N -1.535 118.788 120.400 -0.129 0.000 2.433 48 D HA -0.005 4.635 4.640 -0.000 0.000 0.211 48 D C -0.201 176.068 176.300 -0.052 0.000 1.114 48 D CA -0.157 53.782 54.000 -0.103 0.000 0.837 48 D CB -0.409 40.358 40.800 -0.055 0.000 0.984 48 D HN 0.181 nan 8.370 nan 0.000 0.505 49 H N -0.346 118.789 119.070 0.109 0.000 2.903 49 H HA -0.038 4.518 4.556 -0.000 0.000 0.285 49 H C 1.090 176.461 175.328 0.070 0.000 1.231 49 H CA 0.309 56.416 56.048 0.099 0.000 1.135 49 H CB -1.763 28.035 29.762 0.060 0.000 1.328 49 H HN 0.416 nan 8.280 nan 0.000 0.388 50 G N -0.361 108.495 108.800 0.093 0.000 2.366 50 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.299 50 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.299 50 G C 1.162 175.961 174.900 -0.167 0.000 1.020 50 G CA 0.745 45.747 45.100 -0.164 0.000 1.026 50 G HN 1.069 nan 8.290 nan 0.000 0.512 51 A N -0.446 122.314 122.820 -0.099 0.000 1.969 51 A HA 0.347 4.667 4.320 -0.000 0.000 0.218 51 A C 2.780 180.292 177.584 -0.120 0.000 1.169 51 A CA 2.183 54.176 52.037 -0.074 0.000 0.635 51 A CB -0.576 18.403 19.000 -0.035 0.000 0.810 51 A HN 1.838 nan 8.150 nan 0.000 0.445 52 A N -0.089 122.622 122.820 -0.181 0.000 1.835 52 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 52 A C 2.214 179.663 177.584 -0.225 0.000 1.199 52 A CA 2.057 53.974 52.037 -0.200 0.000 0.615 52 A CB -1.279 17.580 19.000 -0.235 0.000 0.838 52 A HN 0.554 nan 8.150 nan 0.000 0.444 53 V N 0.217 119.925 119.914 -0.344 0.000 2.250 53 V HA -0.345 3.775 4.120 -0.000 0.000 0.250 53 V C 2.269 178.299 176.094 -0.107 0.000 1.060 53 V CA 2.453 64.594 62.300 -0.266 0.000 1.030 53 V CB -1.265 30.240 31.823 -0.529 0.000 0.643 53 V HN 0.644 nan 8.190 nan 0.000 0.445 54 E N -0.260 119.874 120.200 -0.111 0.000 2.401 54 E HA -0.148 4.201 4.350 -0.000 0.000 0.199 54 E C 2.100 178.679 176.600 -0.035 0.000 1.023 54 E CA 1.454 57.826 56.400 -0.047 0.000 0.859 54 E CB -0.108 29.569 29.700 -0.038 0.000 0.780 54 E HN 0.689 nan 8.360 nan 0.000 0.523 55 T N 0.346 114.864 114.554 -0.060 0.000 3.040 55 T HA -0.009 4.341 4.350 -0.000 0.000 0.252 55 T C 1.511 176.180 174.700 -0.051 0.000 1.064 55 T CA -0.066 62.004 62.100 -0.050 0.000 1.110 55 T CB 0.125 68.957 68.868 -0.060 0.000 0.921 55 T HN 0.028 nan 8.240 nan 0.000 0.480 56 L N 1.615 122.792 121.223 -0.077 0.000 2.007 56 L HA 0.113 4.453 4.340 -0.000 0.000 0.205 56 L C 2.111 179.001 176.870 0.033 0.000 1.073 56 L CA 1.715 56.495 54.840 -0.099 0.000 0.744 56 L CB -0.997 40.878 42.059 -0.306 0.000 0.898 56 L HN 0.080 nan 8.230 nan 0.000 0.435 57 M N -0.017 119.650 119.600 0.111 0.000 2.151 57 M HA -0.333 4.147 4.480 -0.000 0.000 0.256 57 M C 2.281 178.633 176.300 0.086 0.000 1.072 57 M CA 1.929 57.325 55.300 0.160 0.000 1.090 57 M CB -1.518 31.154 32.600 0.121 0.000 1.294 57 M HN 0.314 nan 8.290 nan 0.000 0.415 58 K N -0.124 120.300 120.400 0.040 0.000 2.127 58 K HA -0.213 4.106 4.320 -0.000 0.000 0.208 58 K C 1.822 178.437 176.600 0.025 0.000 1.047 58 K CA 1.506 57.806 56.287 0.021 0.000 0.927 58 K CB 0.102 32.605 32.500 0.006 0.000 0.716 58 K HN 0.317 nan 8.250 nan 0.000 0.450 59 E N 0.540 120.756 120.200 0.027 0.000 2.051 59 E HA -0.154 4.196 4.350 -0.000 0.000 0.189 59 E C 2.003 178.638 176.600 0.058 0.000 0.979 59 E CA 0.558 56.975 56.400 0.029 0.000 0.803 59 E CB -0.347 29.357 29.700 0.007 0.000 0.761 59 E HN 0.225 nan 8.360 nan 0.000 0.451 60 L N 2.075 123.350 121.223 0.087 0.000 2.127 60 L HA -0.149 4.191 4.340 -0.000 0.000 0.211 60 L C 1.592 178.511 176.870 0.081 0.000 1.089 60 L CA 1.553 56.469 54.840 0.127 0.000 0.757 60 L CB -0.404 41.803 42.059 0.246 0.000 0.899 60 L HN 0.017 nan 8.230 nan 0.000 0.434 61 N N -0.193 118.534 118.700 0.045 0.000 2.132 61 N HA -0.126 4.614 4.740 -0.000 0.000 0.187 61 N C 1.145 176.593 175.510 -0.105 0.000 1.038 61 N CA 1.561 54.590 53.050 -0.036 0.000 0.846 61 N CB -0.283 38.199 38.487 -0.009 0.000 1.012 61 N HN 0.368 nan 8.380 nan 0.000 0.429 62 D N 0.629 121.019 120.400 -0.017 0.000 2.392 62 D HA -0.082 4.557 4.640 -0.000 0.000 0.228 62 D C -0.264 176.148 176.300 0.186 0.000 1.003 62 D CA 0.327 54.344 54.000 0.030 0.000 0.917 62 D CB -0.896 39.930 40.800 0.042 0.000 0.890 62 D HN 0.554 nan 8.370 nan 0.000 0.532 63 H N -0.852 118.222 119.070 0.007 0.000 2.542 63 H HA -0.230 4.326 4.556 -0.000 0.000 0.313 63 H C -0.168 175.150 175.328 -0.016 0.000 0.960 63 H CA 0.269 56.316 56.048 -0.002 0.000 1.032 63 H CB -1.879 27.879 29.762 -0.007 0.000 1.620 63 H HN 0.384 nan 8.280 nan 0.000 0.346 64 R N 0.578 121.139 120.500 0.103 0.000 2.590 64 R HA 0.399 4.739 4.340 -0.000 0.000 0.410 64 R C -0.556 175.743 176.300 -0.002 0.000 1.010 64 R CA -0.776 55.342 56.100 0.029 0.000 1.155 64 R CB 0.589 30.905 30.300 0.027 0.000 1.455 64 R HN 0.183 nan 8.270 nan 0.000 0.567 65 L N 1.502 122.728 121.223 0.006 0.000 2.360 65 L HA 0.370 4.709 4.340 -0.000 0.000 0.271 65 L C 0.006 176.844 176.870 -0.054 0.000 1.057 65 L CA -1.191 53.639 54.840 -0.016 0.000 0.803 65 L CB 1.490 43.558 42.059 0.014 0.000 1.207 65 L HN 0.195 nan 8.230 nan 0.000 0.445 66 L N 3.112 124.287 121.223 -0.079 0.000 2.485 66 L HA 0.088 4.427 4.340 -0.000 0.000 0.275 66 L C 0.169 176.960 176.870 -0.131 0.000 1.207 66 L CA -0.229 54.521 54.840 -0.150 0.000 0.855 66 L CB 0.448 42.420 42.059 -0.144 0.000 1.114 66 L HN 0.718 nan 8.230 nan 0.000 0.485 67 E N 3.878 123.964 120.200 -0.190 0.000 2.408 67 E HA 0.084 4.434 4.350 -0.000 0.000 0.259 67 E C -0.606 175.955 176.600 -0.066 0.000 1.110 67 E CA -0.437 55.887 56.400 -0.128 0.000 0.929 67 E CB 0.489 30.104 29.700 -0.142 0.000 0.971 67 E HN 0.568 nan 8.360 nan 0.000 0.438 68 Q N 0.582 120.357 119.800 -0.041 0.000 2.318 68 Q HA 0.203 4.543 4.340 -0.000 0.000 0.222 68 Q C -0.528 175.458 176.000 -0.024 0.000 1.003 68 Q CA -0.501 55.298 55.803 -0.006 0.000 0.936 68 Q CB 0.625 29.351 28.738 -0.020 0.000 1.204 68 Q HN 0.361 nan 8.270 nan 0.000 0.524 69 R N 1.354 121.850 120.500 -0.007 0.000 3.092 69 R HA -0.225 4.115 4.340 -0.000 0.000 0.245 69 R C -0.505 175.723 176.300 -0.120 0.000 0.881 69 R CA 0.573 56.498 56.100 -0.291 0.000 0.614 69 R CB -1.599 28.271 30.300 -0.716 0.000 1.128 69 R HN 0.516 nan 8.270 nan 0.000 0.483 70 H N -0.055 119.042 119.070 0.044 0.000 3.017 70 H HA 0.251 4.807 4.556 -0.000 0.000 0.346 70 H C -0.300 175.118 175.328 0.150 0.000 1.286 70 H CA -0.655 55.392 56.048 -0.001 0.000 1.120 70 H CB 1.081 30.732 29.762 -0.186 0.000 1.860 70 H HN 0.275 nan 8.280 nan 0.000 0.542 71 W N 2.322 123.550 121.300 -0.121 0.000 1.916 71 W HA 0.478 5.137 4.660 -0.000 0.000 0.403 71 W C -1.463 175.369 176.519 0.520 0.000 1.711 71 W CA -0.758 56.701 57.345 0.190 0.000 1.879 71 W CB -0.078 29.315 29.460 -0.112 0.000 1.359 71 W HN 0.559 nan 8.180 nan 0.000 0.718 72 Y N 1.124 121.981 120.300 0.928 0.000 2.337 72 Y HA 0.315 4.865 4.550 -0.000 0.000 0.318 72 Y C -1.400 174.960 175.900 0.766 0.000 1.258 72 Y CA -0.956 57.551 58.100 0.679 0.000 1.132 72 Y CB 0.650 39.307 38.460 0.328 0.000 1.307 72 Y HN 0.654 nan 8.280 nan 0.000 0.428 73 S N 5.594 121.304 115.700 0.017 0.000 2.532 73 S HA 0.469 4.939 4.470 -0.000 0.000 0.301 73 S C -0.141 174.022 174.600 -0.729 0.000 1.083 73 S CA -0.710 57.406 58.200 -0.140 0.000 1.025 73 S CB 1.853 64.986 63.200 -0.113 0.000 1.056 73 S HN 1.093 nan 8.310 nan 0.000 0.494 74 L N 1.484 122.377 121.223 -0.550 0.000 2.610 74 L HA 0.440 4.779 4.340 -0.000 0.000 0.232 74 L C 0.591 177.126 176.870 -0.558 0.000 1.149 74 L CA 1.150 55.597 54.840 -0.655 0.000 0.872 74 L CB -0.767 40.914 42.059 -0.629 0.000 0.992 74 L HN 0.785 nan 8.230 nan 0.000 0.447 75 F N -1.040 118.774 119.950 -0.226 0.000 2.776 75 F HA 0.205 4.732 4.527 -0.000 0.000 0.300 75 F C 1.020 176.778 175.800 -0.070 0.000 1.116 75 F CA -0.354 57.574 58.000 -0.119 0.000 1.375 75 F CB -0.381 38.521 39.000 -0.163 0.000 1.109 75 F HN 0.131 nan 8.300 nan 0.000 0.585 76 N N 0.429 119.138 118.700 0.015 0.000 2.399 76 N HA 0.002 4.742 4.740 -0.000 0.000 0.259 76 N C 1.214 176.736 175.510 0.020 0.000 1.160 76 N CA 0.279 53.354 53.050 0.042 0.000 0.946 76 N CB 0.546 39.067 38.487 0.057 0.000 1.156 76 N HN 0.114 nan 8.380 nan 0.000 0.489 77 T N 0.922 115.506 114.554 0.049 0.000 2.848 77 T HA -0.265 4.085 4.350 -0.000 0.000 0.269 77 T C 1.661 176.376 174.700 0.025 0.000 1.081 77 T CA 1.178 63.306 62.100 0.046 0.000 1.125 77 T CB -0.064 68.839 68.868 0.058 0.000 0.848 77 T HN 0.511 nan 8.240 nan 0.000 0.503 78 R N 0.612 121.123 120.500 0.018 0.000 2.074 78 R HA 0.101 4.441 4.340 -0.000 0.000 0.218 78 R C 2.783 179.093 176.300 0.017 0.000 1.137 78 R CA 0.527 56.632 56.100 0.008 0.000 0.998 78 R CB -0.139 30.159 30.300 -0.004 0.000 0.895 78 R HN 0.425 nan 8.270 nan 0.000 0.442 79 Q N 0.170 119.992 119.800 0.035 0.000 2.173 79 Q HA -0.261 4.078 4.340 -0.000 0.000 0.208 79 Q C 2.170 178.279 176.000 0.181 0.000 0.989 79 Q CA 1.894 57.782 55.803 0.143 0.000 0.872 79 Q CB -0.174 28.670 28.738 0.177 0.000 0.909 79 Q HN 0.249 nan 8.270 nan 0.000 0.420 80 R N 1.074 121.591 120.500 0.029 0.000 2.070 80 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 80 R C 2.041 178.288 176.300 -0.088 0.000 1.138 80 R CA 1.630 57.695 56.100 -0.058 0.000 0.936 80 R CB 0.009 30.244 30.300 -0.109 0.000 0.839 80 R HN 0.087 nan 8.270 nan 0.000 0.429 81 K N 0.326 120.692 120.400 -0.057 0.000 2.059 81 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 81 K C 2.088 178.645 176.600 -0.072 0.000 1.050 81 K CA 2.331 58.579 56.287 -0.065 0.000 0.927 81 K CB -0.107 32.377 32.500 -0.027 0.000 0.714 81 K HN 0.369 nan 8.250 nan 0.000 0.447 82 E N 0.167 120.342 120.200 -0.042 0.000 2.031 82 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 82 E C 2.108 178.663 176.600 -0.075 0.000 0.994 82 E CA 1.082 57.450 56.400 -0.053 0.000 0.800 82 E CB -0.170 29.513 29.700 -0.027 0.000 0.752 82 E HN 0.354 nan 8.360 nan 0.000 0.447 83 A N 1.178 123.971 122.820 -0.046 0.000 1.892 83 A HA -0.204 4.115 4.320 -0.000 0.000 0.218 83 A C 2.120 179.656 177.584 -0.081 0.000 1.188 83 A CA 1.304 53.310 52.037 -0.052 0.000 0.631 83 A CB -0.613 18.386 19.000 -0.001 0.000 0.822 83 A HN 0.192 nan 8.150 nan 0.000 0.447 84 L N 0.029 121.148 121.223 -0.172 0.000 2.551 84 L HA -0.050 4.289 4.340 -0.000 0.000 0.228 84 L C 2.454 179.240 176.870 -0.140 0.000 1.153 84 L CA 1.503 56.174 54.840 -0.280 0.000 0.851 84 L CB -0.503 41.246 42.059 -0.517 0.000 0.959 84 L HN 0.602 nan 8.230 nan 0.000 0.451 85 M N -3.523 115.997 119.600 -0.132 0.000 2.287 85 M HA -0.075 4.405 4.480 -0.000 0.000 0.266 85 M C 2.187 178.367 176.300 -0.201 0.000 1.079 85 M CA 1.367 56.580 55.300 -0.146 0.000 1.146 85 M CB -0.654 31.859 32.600 -0.146 0.000 1.374 85 M HN 0.132 nan 8.290 nan 0.000 0.435 86 L N 0.611 121.710 121.223 -0.207 0.000 2.042 86 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 86 L C 2.698 179.460 176.870 -0.179 0.000 1.076 86 L CA 1.537 56.230 54.840 -0.245 0.000 0.749 86 L CB -0.382 41.569 42.059 -0.181 0.000 0.893 86 L HN 0.271 nan 8.230 nan 0.000 0.432 87 F N 0.957 120.749 119.950 -0.263 0.000 2.065 87 F HA -0.301 4.226 4.527 -0.000 0.000 0.298 87 F C 2.328 177.983 175.800 -0.240 0.000 1.112 87 F CA 1.683 59.527 58.000 -0.259 0.000 1.212 87 F CB -0.700 38.112 39.000 -0.313 0.000 0.975 87 F HN 0.070 nan 8.300 nan 0.000 0.476 88 A N -0.373 122.194 122.820 -0.423 0.000 2.131 88 A HA -0.044 4.275 4.320 -0.000 0.000 0.220 88 A C 2.130 179.519 177.584 -0.326 0.000 1.158 88 A CA 1.769 53.552 52.037 -0.424 0.000 0.665 88 A CB -1.200 17.702 19.000 -0.163 0.000 0.795 88 A HN 0.356 nan 8.150 nan 0.000 0.460 89 V N -1.103 118.633 119.914 -0.297 0.000 2.339 89 V HA -0.077 4.043 4.120 -0.000 0.000 0.234 89 V C 2.186 178.177 176.094 -0.172 0.000 1.053 89 V CA 1.084 63.253 62.300 -0.219 0.000 1.042 89 V CB -0.932 30.770 31.823 -0.203 0.000 0.678 89 V HN 0.419 nan 8.190 nan 0.000 0.475 90 L N 1.189 122.246 121.223 -0.277 0.000 2.151 90 L HA -0.311 4.029 4.340 -0.000 0.000 0.219 90 L C 2.160 178.854 176.870 -0.294 0.000 1.083 90 L CA 2.594 57.133 54.840 -0.503 0.000 0.782 90 L CB -1.257 40.381 42.059 -0.702 0.000 0.891 90 L HN 0.552 nan 8.230 nan 0.000 0.439 91 N N -0.534 117.970 118.700 -0.327 0.000 2.142 91 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 91 N C 1.042 176.516 175.510 -0.060 0.000 1.023 91 N CA 1.231 54.121 53.050 -0.267 0.000 0.852 91 N CB 0.007 38.084 38.487 -0.684 0.000 0.998 91 N HN 0.613 nan 8.380 nan 0.000 0.424 92 Q N -0.306 119.476 119.800 -0.030 0.000 2.286 92 Q HA 0.262 4.602 4.340 -0.000 0.000 0.281 92 Q C -0.583 175.530 176.000 0.189 0.000 0.897 92 Q CA -0.260 55.589 55.803 0.077 0.000 1.023 92 Q CB -0.041 28.724 28.738 0.044 0.000 1.151 92 Q HN 0.209 nan 8.270 nan 0.000 0.445 93 c N 1.370 120.076 118.600 0.177 0.000 2.466 93 c HA 0.205 4.775 4.570 -0.000 0.000 0.379 93 c C 1.482 175.661 174.090 0.149 0.000 1.251 93 c CA -0.361 56.063 56.329 0.159 0.000 2.263 93 c CB 0.911 43.530 42.510 0.182 0.000 2.511 93 c HN 0.608 nan 8.230 nan 0.000 0.573 94 K N 0.587 121.050 120.400 0.105 0.000 2.211 94 K HA 0.076 4.395 4.320 -0.000 0.000 0.201 94 K C 0.503 177.190 176.600 0.146 0.000 1.052 94 K CA 0.897 57.251 56.287 0.112 0.000 0.973 94 K CB 0.239 32.786 32.500 0.079 0.000 0.766 94 K HN 0.724 nan 8.250 nan 0.000 0.466 95 E N -1.885 118.419 120.200 0.175 0.000 2.454 95 E HA 0.044 4.394 4.350 -0.000 0.000 0.279 95 E C -0.433 176.353 176.600 0.310 0.000 1.029 95 E CA -0.764 55.776 56.400 0.235 0.000 0.831 95 E CB -0.168 29.651 29.700 0.198 0.000 1.405 95 E HN 0.058 nan 8.360 nan 0.000 0.463 96 W N 0.992 122.327 121.300 0.058 0.000 2.304 96 W HA -0.332 4.327 4.660 -0.000 0.000 0.315 96 W C 1.470 178.051 176.519 0.104 0.000 1.233 96 W CA 2.043 59.414 57.345 0.044 0.000 1.261 96 W CB -0.216 29.236 29.460 -0.014 0.000 1.150 96 W HN 0.752 nan 8.180 nan 0.000 0.494 97 Y N 0.720 121.109 120.300 0.149 0.000 2.173 97 Y HA -0.372 4.178 4.550 -0.000 0.000 0.282 97 Y C 2.527 178.425 175.900 -0.003 0.000 1.192 97 Y CA 2.208 60.346 58.100 0.063 0.000 1.176 97 Y CB -1.250 37.265 38.460 0.090 0.000 0.969 97 Y HN 0.020 nan 8.280 nan 0.000 0.519 98 c N -0.698 117.757 118.600 -0.243 0.000 2.485 98 c HA -0.013 4.557 4.570 -0.000 0.000 0.278 98 c C 2.498 176.439 174.090 -0.249 0.000 1.356 98 c CA 0.379 56.507 56.329 -0.336 0.000 1.747 98 c CB -2.009 40.369 42.510 -0.220 0.000 2.001 98 c HN 0.622 nan 8.230 nan 0.000 0.501 99 F N 1.804 121.522 119.950 -0.386 0.000 2.053 99 F HA 0.121 4.648 4.527 -0.000 0.000 0.292 99 F C 2.619 178.076 175.800 -0.571 0.000 1.125 99 F CA 1.750 59.471 58.000 -0.464 0.000 1.193 99 F CB -0.683 37.946 39.000 -0.619 0.000 0.996 99 F HN 0.049 nan 8.300 nan 0.000 0.470 100 R N -0.010 120.188 120.500 -0.504 0.000 2.162 100 R HA -0.245 4.095 4.340 -0.000 0.000 0.245 100 R C 2.357 178.436 176.300 -0.367 0.000 1.129 100 R CA 2.112 57.952 56.100 -0.434 0.000 0.940 100 R CB -1.112 28.946 30.300 -0.403 0.000 0.875 100 R HN 0.271 nan 8.270 nan 0.000 0.437 101 S N 0.627 115.987 115.700 -0.566 0.000 2.377 101 S HA -0.212 4.258 4.470 -0.000 0.000 0.224 101 S C 1.602 175.712 174.600 -0.817 0.000 1.042 101 S CA 2.086 59.687 58.200 -0.998 0.000 1.086 101 S CB -0.550 61.504 63.200 -1.911 0.000 0.995 101 S HN 0.405 nan 8.310 nan 0.000 0.428 102 N N 1.572 119.918 118.700 -0.589 0.000 2.025 102 N HA -0.005 4.735 4.740 -0.000 0.000 0.194 102 N C 0.887 176.426 175.510 0.049 0.000 1.044 102 N CA 1.153 54.117 53.050 -0.143 0.000 0.851 102 N CB -0.257 38.280 38.487 0.083 0.000 1.036 102 N HN 0.393 nan 8.380 nan 0.000 0.422 103 A N -0.824 121.999 122.820 0.005 0.000 3.052 103 A HA 0.597 4.916 4.320 -0.000 0.000 0.266 103 A C 0.582 178.218 177.584 0.085 0.000 1.855 103 A CA 0.623 52.783 52.037 0.204 0.000 1.473 103 A CB -0.919 18.171 19.000 0.150 0.000 1.038 103 A HN 0.425 nan 8.150 nan 0.000 0.619 104 A N -0.242 122.564 122.820 -0.023 0.000 2.373 104 A HA 0.149 4.468 4.320 -0.000 0.000 0.190 104 A C 1.290 178.777 177.584 -0.162 0.000 1.544 104 A CA 0.631 52.604 52.037 -0.106 0.000 1.699 104 A CB -0.970 17.958 19.000 -0.120 0.000 1.614 104 A HN 0.721 nan 8.150 nan 0.000 0.667 105 Y N 0.684 120.808 120.300 -0.294 0.000 2.081 105 Y HA -0.240 4.310 4.550 -0.000 0.000 0.280 105 Y C 1.973 177.615 175.900 -0.429 0.000 1.163 105 Y CA 3.093 60.960 58.100 -0.389 0.000 1.135 105 Y CB -0.359 37.774 38.460 -0.545 0.000 0.970 105 Y HN 0.329 nan 8.280 nan 0.000 0.498 106 F N -0.205 119.749 119.950 0.006 0.000 2.118 106 F HA -0.051 4.476 4.527 -0.000 0.000 0.293 106 F C 2.650 178.288 175.800 -0.270 0.000 1.102 106 F CA 1.483 59.450 58.000 -0.055 0.000 1.247 106 F CB -1.047 38.020 39.000 0.113 0.000 1.017 106 F HN -0.107 nan 8.300 nan 0.000 0.475 107 R N 1.062 121.378 120.500 -0.306 0.000 2.196 107 R HA -0.259 4.081 4.340 -0.000 0.000 0.259 107 R C 1.576 177.545 176.300 -0.551 0.000 1.154 107 R CA 2.097 57.580 56.100 -1.028 0.000 0.976 107 R CB -0.618 29.117 30.300 -0.942 0.000 0.888 107 R HN 0.189 nan 8.270 nan 0.000 0.453 108 E N -0.363 119.624 120.200 -0.356 0.000 2.481 108 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 108 E C 1.241 177.711 176.600 -0.217 0.000 1.047 108 E CA 0.722 56.965 56.400 -0.261 0.000 0.867 108 E CB 0.105 29.662 29.700 -0.239 0.000 0.858 108 E HN 0.583 nan 8.360 nan 0.000 0.513 109 R N -1.925 118.461 120.500 -0.191 0.000 2.526 109 R HA 0.304 4.644 4.340 -0.000 0.000 0.346 109 R C 0.352 176.642 176.300 -0.017 0.000 0.926 109 R CA -0.154 55.879 56.100 -0.112 0.000 1.147 109 R CB 0.172 30.376 30.300 -0.161 0.000 1.629 109 R HN 0.016 nan 8.270 nan 0.000 0.516 110 M N 1.880 121.484 119.600 0.006 0.000 2.528 110 M HA 0.273 4.753 4.480 -0.000 0.000 0.318 110 M C -0.250 176.058 176.300 0.013 0.000 1.195 110 M CA -0.859 54.470 55.300 0.048 0.000 1.000 110 M CB 1.714 34.384 32.600 0.117 0.000 1.615 110 M HN 0.022 nan 8.290 nan 0.000 0.469 111 N N 1.281 119.992 118.700 0.018 0.000 2.479 111 N HA -0.028 4.712 4.740 -0.000 0.000 0.257 111 N C 0.181 175.733 175.510 0.069 0.000 1.232 111 N CA 0.333 53.402 53.050 0.031 0.000 0.920 111 N CB 1.017 39.512 38.487 0.012 0.000 1.105 111 N HN 0.548 nan 8.380 nan 0.000 0.444 112 E N 1.977 122.243 120.200 0.110 0.000 2.118 112 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 112 E C 1.694 178.365 176.600 0.118 0.000 0.992 112 E CA 1.669 58.157 56.400 0.147 0.000 0.804 112 E CB -0.484 29.303 29.700 0.145 0.000 0.741 112 E HN 0.805 nan 8.360 nan 0.000 0.458 113 G N 1.041 109.855 108.800 0.022 0.000 2.394 113 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.214 113 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.214 113 G C 1.308 175.891 174.900 -0.527 0.000 1.176 113 G CA 0.631 45.633 45.100 -0.163 0.000 0.786 113 G HN 0.239 nan 8.290 nan 0.000 0.533 114 E N -0.163 119.640 120.200 -0.661 0.000 2.038 114 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 114 E C 2.148 178.682 176.600 -0.109 0.000 1.000 114 E CA 0.999 57.109 56.400 -0.483 0.000 0.803 114 E CB -0.320 29.226 29.700 -0.257 0.000 0.750 114 E HN 0.397 nan 8.360 nan 0.000 0.448 115 F N 1.964 121.840 119.950 -0.123 0.000 2.043 115 F HA -0.269 4.258 4.527 -0.000 0.000 0.297 115 F C 2.302 178.119 175.800 0.029 0.000 1.121 115 F CA 1.402 59.385 58.000 -0.030 0.000 1.199 115 F CB -0.512 38.481 39.000 -0.011 0.000 0.968 115 F HN -0.218 nan 8.300 nan 0.000 0.478 116 V N -0.381 119.524 119.914 -0.015 0.000 2.255 116 V HA -0.358 3.762 4.120 -0.000 0.000 0.247 116 V C 2.111 178.181 176.094 -0.040 0.000 1.051 116 V CA 2.333 64.605 62.300 -0.047 0.000 1.018 116 V CB -1.268 30.580 31.823 0.041 0.000 0.641 116 V HN 0.556 nan 8.190 nan 0.000 0.445 117 Y N 1.180 121.414 120.300 -0.111 0.000 2.097 117 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 117 Y C 2.431 178.313 175.900 -0.031 0.000 1.152 117 Y CA 2.006 60.083 58.100 -0.038 0.000 1.136 117 Y CB -0.646 37.827 38.460 0.021 0.000 0.975 117 Y HN 0.155 nan 8.280 nan 0.000 0.498 118 A N 0.095 122.910 122.820 -0.007 0.000 1.873 118 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 118 A C 2.190 179.683 177.584 -0.151 0.000 1.193 118 A CA 1.998 53.987 52.037 -0.079 0.000 0.629 118 A CB -1.403 17.538 19.000 -0.100 0.000 0.826 118 A HN 0.544 nan 8.150 nan 0.000 0.447 119 L N -1.649 119.375 121.223 -0.331 0.000 2.012 119 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 119 L C 2.358 179.203 176.870 -0.041 0.000 1.073 119 L CA 2.025 56.704 54.840 -0.269 0.000 0.748 119 L CB -0.999 40.737 42.059 -0.538 0.000 0.891 119 L HN 0.489 nan 8.230 nan 0.000 0.431 120 Y N -1.435 118.760 120.300 -0.175 0.000 2.114 120 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 120 Y C 2.617 178.463 175.900 -0.091 0.000 1.143 120 Y CA 1.911 59.939 58.100 -0.121 0.000 1.135 120 Y CB -0.926 37.439 38.460 -0.158 0.000 0.980 120 Y HN -0.039 nan 8.280 nan 0.000 0.499 121 V N -1.048 118.864 119.914 -0.003 0.000 2.332 121 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 121 V C 2.292 178.556 176.094 0.283 0.000 1.055 121 V CA 2.215 64.531 62.300 0.026 0.000 1.038 121 V CB -0.762 30.938 31.823 -0.205 0.000 0.651 121 V HN 0.372 nan 8.190 nan 0.000 0.450 122 S N -0.555 115.336 115.700 0.320 0.000 2.356 122 S HA -0.161 4.308 4.470 -0.000 0.000 0.223 122 S C 1.965 176.813 174.600 0.414 0.000 1.032 122 S CA 1.511 59.969 58.200 0.430 0.000 1.005 122 S CB -0.161 63.130 63.200 0.151 0.000 0.867 122 S HN 0.387 nan 8.310 nan 0.000 0.449 123 V N 2.271 122.375 119.914 0.317 0.000 2.295 123 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 123 V C 2.067 178.226 176.094 0.108 0.000 1.049 123 V CA 1.549 63.994 62.300 0.242 0.000 1.024 123 V CB -0.673 31.204 31.823 0.091 0.000 0.648 123 V HN 0.448 nan 8.190 nan 0.000 0.447 124 I N -0.667 119.915 120.570 0.021 0.000 2.163 124 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 124 I C 2.469 178.389 176.117 -0.329 0.000 1.085 124 I CA 1.764 62.968 61.300 -0.160 0.000 1.347 124 I CB -0.578 37.258 38.000 -0.272 0.000 1.044 124 I HN 0.415 nan 8.210 nan 0.000 0.408 125 H N -0.663 118.448 119.070 0.067 0.000 2.486 125 H HA 0.173 4.728 4.556 -0.000 0.000 0.287 125 H C 1.415 176.822 175.328 0.130 0.000 1.010 125 H CA 0.268 56.371 56.048 0.090 0.000 1.324 125 H CB 0.190 30.205 29.762 0.422 0.000 1.446 125 H HN 0.171 nan 8.280 nan 0.000 0.537 126 S N 1.638 117.540 115.700 0.338 0.000 2.562 126 S HA -0.006 4.464 4.470 -0.000 0.000 0.281 126 S C 1.442 176.152 174.600 0.184 0.000 1.333 126 S CA -0.701 57.679 58.200 0.299 0.000 1.052 126 S CB 0.795 64.226 63.200 0.385 0.000 0.884 126 S HN 0.193 nan 8.310 nan 0.000 0.506 127 K N 4.211 124.726 120.400 0.191 0.000 2.059 127 K HA -0.171 4.149 4.320 -0.000 0.000 0.212 127 K C 1.667 178.355 176.600 0.146 0.000 1.050 127 K CA 1.532 57.916 56.287 0.161 0.000 0.927 127 K CB -0.762 31.836 32.500 0.164 0.000 0.714 127 K HN 0.680 nan 8.250 nan 0.000 0.447 128 L N 0.811 122.136 121.223 0.170 0.000 2.675 128 L HA -0.010 4.330 4.340 -0.000 0.000 0.238 128 L C 1.264 178.133 176.870 -0.002 0.000 1.155 128 L CA 0.259 55.172 54.840 0.122 0.000 0.881 128 L CB -0.228 41.990 42.059 0.264 0.000 1.008 128 L HN 0.229 nan 8.230 nan 0.000 0.443 129 G N -1.862 106.952 108.800 0.023 0.000 4.547 129 G HA2 0.043 4.002 3.960 -0.000 0.000 0.301 129 G HA3 0.043 4.002 3.960 -0.000 0.000 0.301 129 G C 0.432 175.298 174.900 -0.056 0.000 1.240 129 G CA -0.363 44.699 45.100 -0.062 0.000 0.970 129 G HN 0.062 nan 8.290 nan 0.000 0.574 130 D N 1.391 121.749 120.400 -0.070 0.000 2.077 130 D HA -0.117 4.523 4.640 -0.000 0.000 0.193 130 D C 2.589 178.827 176.300 -0.104 0.000 0.989 130 D CA 1.650 55.613 54.000 -0.063 0.000 0.831 130 D CB -0.176 40.588 40.800 -0.060 0.000 0.979 130 D HN 0.330 nan 8.370 nan 0.000 0.449 131 G N 1.450 110.157 108.800 -0.154 0.000 2.507 131 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.221 131 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.221 131 G C 1.110 175.937 174.900 -0.122 0.000 1.119 131 G CA 0.375 45.386 45.100 -0.149 0.000 0.751 131 G HN 0.257 nan 8.290 nan 0.000 0.574 132 I N 0.677 121.165 120.570 -0.137 0.000 2.692 132 I HA 0.210 4.380 4.170 -0.000 0.000 0.284 132 I C -0.280 175.801 176.117 -0.059 0.000 1.159 132 I CA -0.362 60.878 61.300 -0.101 0.000 1.423 132 I CB 1.388 39.322 38.000 -0.112 0.000 1.380 132 I HN -0.253 nan 8.210 nan 0.000 0.580 133 V N 7.146 127.035 119.914 -0.043 0.000 2.448 133 V HA 0.368 4.488 4.120 -0.000 0.000 0.295 133 V C 0.092 176.137 176.094 -0.082 0.000 1.025 133 V CA -0.583 61.705 62.300 -0.020 0.000 0.859 133 V CB 1.687 33.533 31.823 0.039 0.000 0.988 133 V HN 0.459 nan 8.190 nan 0.000 0.431 134 L N 7.280 128.424 121.223 -0.131 0.000 2.350 134 L HA 0.455 4.795 4.340 -0.000 0.000 0.275 134 L C -2.065 174.710 176.870 -0.159 0.000 1.099 134 L CA -1.670 53.020 54.840 -0.251 0.000 0.808 134 L CB 1.271 43.017 42.059 -0.522 0.000 1.149 134 L HN 0.427 nan 8.230 nan 0.000 0.442 135 P HA 0.103 nan 4.420 nan 0.000 0.269 135 P C -2.570 174.598 177.300 -0.219 0.000 1.217 135 P CA -1.112 61.854 63.100 -0.224 0.000 0.783 135 P CB -0.334 30.998 31.700 -0.614 0.000 0.898 136 P HA 0.157 nan 4.420 nan 0.000 0.276 136 P C 1.089 177.996 177.300 -0.654 0.000 1.253 136 P CA -0.007 62.707 63.100 -0.642 0.000 0.766 136 P CB 0.275 31.217 31.700 -1.263 0.000 0.845 137 L N 3.326 124.249 121.223 -0.501 0.000 2.010 137 L HA -0.322 4.018 4.340 -0.000 0.000 0.219 137 L C 2.333 178.894 176.870 -0.515 0.000 1.077 137 L CA 2.120 56.699 54.840 -0.436 0.000 0.773 137 L CB -1.081 40.780 42.059 -0.330 0.000 0.892 137 L HN 0.486 nan 8.230 nan 0.000 0.436 138 Y N 0.379 120.160 120.300 -0.866 0.000 2.219 138 Y HA -0.341 4.209 4.550 -0.000 0.000 0.283 138 Y C 2.405 178.176 175.900 -0.214 0.000 1.191 138 Y CA 1.664 59.278 58.100 -0.809 0.000 1.199 138 Y CB -1.370 36.485 38.460 -1.009 0.000 0.972 138 Y HN 0.458 nan 8.280 nan 0.000 0.527 139 Q N -0.657 119.087 119.800 -0.093 0.000 2.391 139 Q HA 0.109 4.449 4.340 -0.000 0.000 0.211 139 Q C 1.832 177.878 176.000 0.076 0.000 0.908 139 Q CA 0.443 56.340 55.803 0.157 0.000 0.920 139 Q CB -0.052 28.841 28.738 0.258 0.000 1.056 139 Q HN 0.433 nan 8.270 nan 0.000 0.523 140 I N 2.476 122.996 120.570 -0.084 0.000 2.202 140 I HA -0.083 4.087 4.170 -0.000 0.000 0.242 140 I C 1.274 177.451 176.117 0.100 0.000 1.091 140 I CA 1.629 62.889 61.300 -0.067 0.000 1.368 140 I CB -0.701 37.215 38.000 -0.141 0.000 1.058 140 I HN 0.300 nan 8.210 nan 0.000 0.410 141 T N -1.954 112.697 114.554 0.162 0.000 3.305 141 T HA 0.386 4.736 4.350 -0.000 0.000 0.348 141 T C -2.135 172.792 174.700 0.378 0.000 1.394 141 T CA -1.401 60.908 62.100 0.349 0.000 1.549 141 T CB 1.311 70.366 68.868 0.313 0.000 0.962 141 T HN -0.106 nan 8.240 nan 0.000 0.609 142 P HA -0.031 nan 4.420 nan 0.000 0.231 142 P C 1.285 178.725 177.300 0.233 0.000 1.158 142 P CA 0.627 63.914 63.100 0.312 0.000 0.763 142 P CB -0.090 31.784 31.700 0.290 0.000 0.805 143 H N -1.404 117.818 119.070 0.254 0.000 2.462 143 H HA 0.101 4.657 4.556 -0.000 0.000 0.292 143 H C 1.587 177.008 175.328 0.155 0.000 1.049 143 H CA 1.042 57.189 56.048 0.165 0.000 1.334 143 H CB 0.000 29.819 29.762 0.095 0.000 1.404 143 H HN 0.108 nan 8.280 nan 0.000 0.544 144 M N -0.447 119.327 119.600 0.291 0.000 2.492 144 M HA -0.026 4.454 4.480 -0.000 0.000 0.262 144 M C 0.802 177.055 176.300 -0.078 0.000 1.090 144 M CA 0.882 56.221 55.300 0.065 0.000 1.110 144 M CB -0.418 32.201 32.600 0.032 0.000 1.407 144 M HN 0.142 nan 8.290 nan 0.000 0.470 145 F N -1.010 118.963 119.950 0.037 0.000 2.784 145 F HA 0.195 4.722 4.527 -0.000 0.000 0.323 145 F C 0.777 176.593 175.800 0.027 0.000 1.085 145 F CA -0.145 57.852 58.000 -0.006 0.000 1.196 145 F CB 0.128 39.103 39.000 -0.040 0.000 1.053 145 F HN -0.182 nan 8.300 nan 0.000 0.578 146 T N 0.080 114.784 114.554 0.250 0.000 2.895 146 T HA 0.241 4.590 4.350 -0.000 0.000 0.283 146 T C -0.098 174.657 174.700 0.092 0.000 1.014 146 T CA -0.643 61.587 62.100 0.217 0.000 1.037 146 T CB 1.561 70.573 68.868 0.240 0.000 1.006 146 T HN -0.151 nan 8.240 nan 0.000 0.468 147 N N 0.464 119.207 118.700 0.072 0.000 2.231 147 N HA 0.012 4.752 4.740 -0.000 0.000 0.223 147 N C 1.388 176.890 175.510 -0.013 0.000 1.329 147 N CA 0.383 53.446 53.050 0.022 0.000 0.889 147 N CB 0.425 38.918 38.487 0.010 0.000 1.125 147 N HN 0.510 nan 8.380 nan 0.000 0.447 148 S N -0.670 115.020 115.700 -0.016 0.000 2.478 148 S HA 0.028 4.498 4.470 -0.000 0.000 0.222 148 S C 1.397 175.947 174.600 -0.084 0.000 1.008 148 S CA 0.492 58.678 58.200 -0.023 0.000 0.928 148 S CB -0.188 63.018 63.200 0.010 0.000 0.781 148 S HN 0.586 nan 8.310 nan 0.000 0.518 149 E N 0.399 120.547 120.200 -0.088 0.000 2.014 149 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 149 E C 1.946 178.421 176.600 -0.208 0.000 0.980 149 E CA 1.266 57.590 56.400 -0.126 0.000 0.807 149 E CB -0.143 29.501 29.700 -0.093 0.000 0.770 149 E HN 0.317 nan 8.360 nan 0.000 0.451 150 V N 2.140 121.949 119.914 -0.175 0.000 2.380 150 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 150 V C 2.472 178.388 176.094 -0.297 0.000 1.063 150 V CA 1.230 63.398 62.300 -0.220 0.000 1.055 150 V CB -0.462 31.322 31.823 -0.065 0.000 0.657 150 V HN 0.409 nan 8.190 nan 0.000 0.455 151 I N 0.171 120.575 120.570 -0.277 0.000 2.179 151 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 151 I C 2.252 178.014 176.117 -0.590 0.000 1.088 151 I CA 1.828 62.870 61.300 -0.430 0.000 1.357 151 I CB -1.178 36.562 38.000 -0.433 0.000 1.051 151 I HN 0.352 nan 8.210 nan 0.000 0.409 152 D N 0.607 120.740 120.400 -0.445 0.000 2.144 152 D HA -0.133 4.506 4.640 -0.000 0.000 0.200 152 D C 2.205 178.309 176.300 -0.327 0.000 0.978 152 D CA 0.871 54.656 54.000 -0.357 0.000 0.833 152 D CB -0.021 40.666 40.800 -0.188 0.000 0.961 152 D HN 0.301 nan 8.370 nan 0.000 0.470 153 K N 0.387 120.489 120.400 -0.497 0.000 2.147 153 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 153 K C 2.002 178.189 176.600 -0.689 0.000 1.049 153 K CA 0.998 56.789 56.287 -0.827 0.000 0.936 153 K CB -0.022 31.560 32.500 -1.530 0.000 0.722 153 K HN 0.058 nan 8.250 nan 0.000 0.446 154 A N 0.814 123.388 122.820 -0.412 0.000 1.929 154 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 154 A C 1.777 179.449 177.584 0.148 0.000 1.176 154 A CA 0.969 53.034 52.037 0.047 0.000 0.628 154 A CB -0.535 18.496 19.000 0.053 0.000 0.816 154 A HN 0.187 nan 8.150 nan 0.000 0.444 155 Y N 0.466 120.758 120.300 -0.013 0.000 2.293 155 Y HA -0.064 4.486 4.550 -0.000 0.000 0.291 155 Y C 2.926 178.836 175.900 0.017 0.000 1.137 155 Y CA 0.530 58.641 58.100 0.018 0.000 1.202 155 Y CB -1.031 37.440 38.460 0.018 0.000 0.990 155 Y HN 0.267 nan 8.280 nan 0.000 0.537 156 S N -0.227 115.552 115.700 0.131 0.000 2.357 156 S HA -0.112 4.358 4.470 -0.000 0.000 0.221 156 S C 2.383 177.053 174.600 0.116 0.000 1.031 156 S CA 0.854 59.106 58.200 0.087 0.000 0.982 156 S CB -0.576 62.638 63.200 0.024 0.000 0.853 156 S HN 0.475 nan 8.310 nan 0.000 0.458 157 A N 2.218 125.137 122.820 0.166 0.000 1.863 157 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 157 A C 2.010 179.676 177.584 0.136 0.000 1.233 157 A CA 2.408 54.565 52.037 0.201 0.000 0.655 157 A CB -0.942 18.236 19.000 0.296 0.000 0.839 157 A HN 0.367 nan 8.150 nan 0.000 0.454 158 K N -0.214 120.274 120.400 0.148 0.000 2.034 158 K HA -0.185 4.135 4.320 -0.000 0.000 0.214 158 K C 2.074 178.724 176.600 0.083 0.000 1.051 158 K CA 2.444 58.800 56.287 0.114 0.000 0.931 158 K CB -0.647 31.932 32.500 0.132 0.000 0.715 158 K HN 0.624 nan 8.250 nan 0.000 0.446 159 M N -0.104 119.546 119.600 0.083 0.000 2.088 159 M HA -0.196 4.284 4.480 -0.000 0.000 0.256 159 M C 2.082 178.411 176.300 0.049 0.000 1.071 159 M CA 2.674 58.008 55.300 0.055 0.000 1.097 159 M CB -1.247 31.385 32.600 0.053 0.000 1.315 159 M HN 0.364 nan 8.290 nan 0.000 0.406 160 T N -2.591 111.998 114.554 0.057 0.000 3.148 160 T HA 0.014 4.363 4.350 -0.000 0.000 0.253 160 T C 0.803 175.530 174.700 0.045 0.000 1.134 160 T CA 0.187 62.315 62.100 0.047 0.000 1.051 160 T CB -0.129 68.768 68.868 0.048 0.000 0.959 160 T HN 0.496 nan 8.240 nan 0.000 0.525 161 Q N -0.191 119.640 119.800 0.052 0.000 2.494 161 Q HA -0.188 4.151 4.340 -0.000 0.000 0.266 161 Q C -0.202 175.820 176.000 0.037 0.000 1.053 161 Q CA 1.004 56.833 55.803 0.043 0.000 1.029 161 Q CB -1.683 27.074 28.738 0.031 0.000 1.423 161 Q HN 0.780 nan 8.270 nan 0.000 0.516 162 K N 1.318 121.746 120.400 0.048 0.000 2.323 162 K HA 0.471 4.791 4.320 -0.000 0.000 0.259 162 K C -2.492 174.132 176.600 0.041 0.000 0.947 162 K CA -1.854 54.455 56.287 0.037 0.000 0.819 162 K CB 1.820 34.344 32.500 0.040 0.000 1.109 162 K HN -0.219 nan 8.250 nan 0.000 0.429 163 P HA 0.496 nan 4.420 nan 0.000 0.279 163 P C -0.517 176.727 177.300 -0.092 0.000 1.276 163 P CA -0.322 62.761 63.100 -0.027 0.000 0.801 163 P CB 1.472 33.149 31.700 -0.038 0.000 1.127 164 G N -1.248 107.424 108.800 -0.214 0.000 2.342 164 G HA2 0.555 4.515 3.960 -0.000 0.000 0.297 164 G HA3 0.555 4.515 3.960 -0.000 0.000 0.297 164 G C -1.677 172.818 174.900 -0.674 0.000 1.313 164 G CA -0.321 44.517 45.100 -0.438 0.000 0.830 164 G HN 0.769 nan 8.290 nan 0.000 0.506 165 T N -1.923 112.101 114.554 -0.882 0.000 3.032 165 T HA 0.728 5.077 4.350 -0.000 0.000 0.312 165 T C -1.424 172.775 174.700 -0.836 0.000 1.078 165 T CA -0.661 60.988 62.100 -0.751 0.000 1.028 165 T CB 1.325 69.974 68.868 -0.366 0.000 1.091 165 T HN 0.718 nan 8.240 nan 0.000 0.457 166 F N 1.665 121.546 119.950 -0.115 0.000 2.492 166 F HA 0.595 5.122 4.527 -0.000 0.000 0.327 166 F C 0.464 176.184 175.800 -0.133 0.000 1.079 166 F CA -1.284 56.650 58.000 -0.110 0.000 0.967 166 F CB 1.391 40.332 39.000 -0.099 0.000 1.169 166 F HN 0.440 nan 8.300 nan 0.000 0.472 167 N N 1.620 120.352 118.700 0.053 0.000 2.444 167 N HA 0.369 5.108 4.740 -0.000 0.000 0.271 167 N C -0.637 174.844 175.510 -0.048 0.000 1.069 167 N CA -0.330 52.684 53.050 -0.060 0.000 0.965 167 N CB 1.557 39.983 38.487 -0.102 0.000 1.092 167 N HN 0.515 nan 8.380 nan 0.000 0.476 168 V N 0.343 120.208 119.914 -0.080 0.000 2.785 168 V HA 0.451 4.571 4.120 -0.000 0.000 0.300 168 V C 1.157 177.165 176.094 -0.144 0.000 1.062 168 V CA -0.346 61.916 62.300 -0.063 0.000 1.029 168 V CB 1.426 33.251 31.823 0.002 0.000 1.024 168 V HN 0.690 nan 8.190 nan 0.000 0.477 169 S N 1.407 117.047 115.700 -0.101 0.000 2.460 169 S HA 0.418 4.888 4.470 -0.000 0.000 0.226 169 S C 0.282 174.854 174.600 -0.046 0.000 1.057 169 S CA 0.214 58.352 58.200 -0.103 0.000 0.948 169 S CB -0.445 62.750 63.200 -0.009 0.000 0.822 169 S HN 1.190 nan 8.310 nan 0.000 0.512 176 N N -0.002 118.734 118.700 0.060 0.000 2.444 176 N HA -0.047 4.693 4.740 -0.000 0.000 0.335 176 N C -0.035 175.507 175.510 0.053 0.000 1.190 176 N CA -0.025 53.056 53.050 0.051 0.000 2.067 176 N CB 0.448 38.962 38.487 0.045 0.000 2.132 176 N HN 0.328 nan 8.380 nan 0.000 1.114 177 R N 0.670 121.207 120.500 0.062 0.000 2.642 177 R HA 0.362 4.702 4.340 -0.000 0.000 0.103 177 R C -0.412 175.924 176.300 0.059 0.000 1.144 177 R CA 0.126 56.263 56.100 0.061 0.000 0.955 177 R CB 0.129 30.471 30.300 0.070 0.000 0.817 177 R HN 0.128 nan 8.270 nan 0.000 0.381 178 E N 0.354 120.590 120.200 0.059 0.000 3.303 178 E HA 0.104 4.454 4.350 -0.000 0.000 0.142 178 E C -0.751 175.877 176.600 0.046 0.000 0.921 178 E CA -0.138 56.288 56.400 0.043 0.000 1.460 178 E CB 0.535 30.259 29.700 0.041 0.000 1.036 178 E HN 0.166 nan 8.360 nan 0.000 0.407 179 Q N 1.330 121.161 119.800 0.053 0.000 2.628 179 Q HA 0.307 4.647 4.340 -0.000 0.000 0.397 179 Q C 0.188 176.207 176.000 0.033 0.000 0.916 179 Q CA -0.027 55.800 55.803 0.040 0.000 1.071 179 Q CB 1.141 29.927 28.738 0.079 0.000 1.367 179 Q HN 0.439 nan 8.270 nan 0.000 0.404 180 R N -0.803 119.709 120.500 0.021 0.000 2.612 180 R HA 0.166 4.506 4.340 -0.000 0.000 0.260 180 R C 0.358 176.702 176.300 0.074 0.000 0.943 180 R CA 0.206 56.346 56.100 0.066 0.000 1.036 180 R CB 0.951 31.295 30.300 0.074 0.000 1.520 180 R HN 0.064 nan 8.270 nan 0.000 0.563 181 V N 0.888 120.763 119.914 -0.064 0.000 3.159 181 V HA 0.435 4.554 4.120 -0.000 0.000 0.333 181 V C 1.030 176.891 176.094 -0.389 0.000 1.424 181 V CA 0.694 62.834 62.300 -0.266 0.000 1.125 181 V CB 0.842 32.468 31.823 -0.328 0.000 1.075 181 V HN 0.409 nan 8.190 nan 0.000 0.482 182 A N 0.399 123.040 122.820 -0.298 0.000 1.930 182 A HA -0.165 4.154 4.320 -0.000 0.000 0.217 182 A C 1.836 179.113 177.584 -0.511 0.000 1.175 182 A CA 2.030 53.859 52.037 -0.347 0.000 0.627 182 A CB -0.655 18.101 19.000 -0.408 0.000 0.815 182 A HN 0.925 nan 8.150 nan 0.000 0.443 183 Y N -2.403 117.571 120.300 -0.543 0.000 2.298 183 Y HA -0.168 4.382 4.550 -0.000 0.000 0.287 183 Y C 1.866 177.797 175.900 0.052 0.000 1.164 183 Y CA 1.100 59.022 58.100 -0.297 0.000 1.229 183 Y CB -0.877 37.638 38.460 0.091 0.000 0.977 183 Y HN 0.263 nan 8.280 nan 0.000 0.538 184 F N 1.580 121.112 119.950 -0.696 0.000 2.094 184 F HA 0.177 4.703 4.527 -0.000 0.000 0.291 184 F C 2.491 178.206 175.800 -0.143 0.000 1.109 184 F CA 1.734 59.500 58.000 -0.389 0.000 1.221 184 F CB -0.755 37.924 39.000 -0.534 0.000 1.014 184 F HN 0.060 nan 8.300 nan 0.000 0.473 185 G N -0.539 108.314 108.800 0.087 0.000 2.422 185 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 185 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 185 G C 1.270 176.146 174.900 -0.040 0.000 1.140 185 G CA 0.668 45.810 45.100 0.072 0.000 0.775 185 G HN 0.477 nan 8.290 nan 0.000 0.545 186 E N 0.398 120.585 120.200 -0.021 0.000 2.465 186 E HA 0.049 4.398 4.350 -0.000 0.000 0.191 186 E C -0.026 176.617 176.600 0.071 0.000 1.053 186 E CA -0.403 56.019 56.400 0.037 0.000 0.869 186 E CB 0.315 30.080 29.700 0.108 0.000 0.977 186 E HN 0.302 nan 8.360 nan 0.000 0.483 187 D N 1.218 121.623 120.400 0.009 0.000 2.351 187 D HA -0.019 4.620 4.640 -0.000 0.000 0.251 187 D C 1.305 177.592 176.300 -0.021 0.000 1.137 187 D CA -0.201 53.801 54.000 0.003 0.000 0.879 187 D CB 1.051 41.828 40.800 -0.040 0.000 1.181 187 D HN 0.143 nan 8.370 nan 0.000 0.448 188 I N 1.268 121.793 120.570 -0.076 0.000 2.916 188 I HA 0.083 4.252 4.170 -0.000 0.000 0.267 188 I C 1.617 177.704 176.117 -0.052 0.000 1.263 188 I CA 0.673 61.910 61.300 -0.105 0.000 1.471 188 I CB -0.082 37.539 38.000 -0.631 0.000 1.089 188 I HN 0.335 nan 8.210 nan 0.000 0.468 189 G N 0.922 109.663 108.800 -0.098 0.000 2.441 189 G HA2 0.006 3.966 3.960 -0.000 0.000 0.212 189 G HA3 0.006 3.966 3.960 -0.000 0.000 0.212 189 G C 1.560 176.488 174.900 0.047 0.000 1.164 189 G CA 0.199 45.279 45.100 -0.033 0.000 0.811 189 G HN 0.142 nan 8.290 nan 0.000 0.535 190 M N 1.076 120.662 119.600 -0.022 0.000 2.077 190 M HA -0.026 4.454 4.480 -0.000 0.000 0.261 190 M C 2.282 178.649 176.300 0.113 0.000 1.070 190 M CA 1.043 56.334 55.300 -0.015 0.000 1.125 190 M CB -1.386 31.054 32.600 -0.266 0.000 1.339 190 M HN 0.307 nan 8.290 nan 0.000 0.409 191 N N 0.373 119.136 118.700 0.105 0.000 2.061 191 N HA -0.195 4.544 4.740 -0.000 0.000 0.193 191 N C 1.705 177.426 175.510 0.353 0.000 1.030 191 N CA 1.068 54.230 53.050 0.186 0.000 0.856 191 N CB -0.028 38.547 38.487 0.146 0.000 1.023 191 N HN 0.169 nan 8.380 nan 0.000 0.424 192 I N 1.165 121.975 120.570 0.399 0.000 2.058 192 I HA -0.290 3.880 4.170 -0.000 0.000 0.235 192 I C 2.422 178.711 176.117 0.288 0.000 1.053 192 I CA 1.658 63.158 61.300 0.333 0.000 1.313 192 I CB -1.655 36.484 38.000 0.233 0.000 1.039 192 I HN 0.282 nan 8.210 nan 0.000 0.396 193 H N 0.617 119.791 119.070 0.174 0.000 2.272 193 H HA -0.305 4.251 4.556 -0.000 0.000 0.289 193 H C 2.480 177.969 175.328 0.268 0.000 1.100 193 H CA 2.684 58.839 56.048 0.178 0.000 1.209 193 H CB -0.904 28.921 29.762 0.105 0.000 1.348 193 H HN 0.494 nan 8.280 nan 0.000 0.481 194 H N -0.753 118.239 119.070 -0.130 0.000 2.321 194 H HA -0.175 4.381 4.556 -0.000 0.000 0.295 194 H C 2.490 177.837 175.328 0.031 0.000 1.102 194 H CA 2.329 58.268 56.048 -0.182 0.000 1.266 194 H CB -0.114 29.563 29.762 -0.142 0.000 1.363 194 H HN 0.391 nan 8.280 nan 0.000 0.492 195 V N -0.782 119.213 119.914 0.134 0.000 2.307 195 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 195 V C 2.158 178.389 176.094 0.228 0.000 1.045 195 V CA 2.243 64.660 62.300 0.196 0.000 1.024 195 V CB -0.977 31.008 31.823 0.271 0.000 0.651 195 V HN 0.432 nan 8.190 nan 0.000 0.449 196 T N -0.709 113.963 114.554 0.196 0.000 2.635 196 T HA -0.284 4.065 4.350 -0.000 0.000 0.267 196 T C 1.289 176.062 174.700 0.122 0.000 1.040 196 T CA 2.392 64.582 62.100 0.150 0.000 1.156 196 T CB -0.716 68.247 68.868 0.159 0.000 0.863 196 T HN 0.818 nan 8.240 nan 0.000 0.430 197 W N 1.716 123.024 121.300 0.013 0.000 2.313 197 W HA -0.193 4.467 4.660 -0.000 0.000 0.293 197 W C 1.887 178.405 176.519 -0.002 0.000 1.216 197 W CA 1.376 58.717 57.345 -0.006 0.000 1.223 197 W CB -0.260 29.081 29.460 -0.198 0.000 1.138 197 W HN 0.454 nan 8.180 nan 0.000 0.535 198 H N -1.233 117.949 119.070 0.187 0.000 2.524 198 H HA 0.151 4.707 4.556 -0.000 0.000 0.280 198 H C 1.533 176.887 175.328 0.044 0.000 1.018 198 H CA 0.726 56.851 56.048 0.128 0.000 1.165 198 H CB 0.037 29.782 29.762 -0.029 0.000 1.411 198 H HN 0.328 nan 8.280 nan 0.000 0.569 199 M N -0.617 118.999 119.600 0.027 0.000 2.638 199 M HA 0.001 4.481 4.480 -0.000 0.000 0.256 199 M C 1.058 177.266 176.300 -0.154 0.000 1.282 199 M CA 0.357 55.642 55.300 -0.025 0.000 1.155 199 M CB 0.724 33.332 32.600 0.013 0.000 1.345 199 M HN -0.020 nan 8.290 nan 0.000 0.523 200 D N 0.600 120.788 120.400 -0.353 0.000 2.084 200 D HA -0.050 4.590 4.640 -0.000 0.000 0.196 200 D C -0.218 175.478 176.300 -1.008 0.000 0.985 200 D CA 1.553 55.114 54.000 -0.731 0.000 0.826 200 D CB 0.138 40.407 40.800 -0.885 0.000 0.978 200 D HN 0.214 nan 8.370 nan 0.000 0.456 201 F N 0.333 119.845 119.950 -0.729 0.000 2.564 201 F HA 0.380 4.907 4.527 -0.000 0.000 0.368 201 F C -2.373 173.035 175.800 -0.655 0.000 1.127 201 F CA -2.441 55.078 58.000 -0.802 0.000 1.170 201 F CB 1.476 39.912 39.000 -0.940 0.000 1.397 201 F HN -0.261 nan 8.300 nan 0.000 0.493 202 P HA 0.126 nan 4.420 nan 0.000 0.278 202 P C 0.774 177.775 177.300 -0.498 0.000 1.238 202 P CA -0.498 62.172 63.100 -0.718 0.000 0.794 202 P CB 0.581 31.266 31.700 -1.690 0.000 0.955 203 F N 1.131 121.013 119.950 -0.115 0.000 2.234 203 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 203 F C 1.491 177.329 175.800 0.062 0.000 1.087 203 F CA 0.268 58.299 58.000 0.051 0.000 1.340 203 F CB -1.533 37.619 39.000 0.254 0.000 1.031 203 F HN 0.392 nan 8.300 nan 0.000 0.500 204 W N -0.619 120.639 121.300 -0.070 0.000 3.180 204 W HA 0.104 4.763 4.660 -0.000 0.000 0.254 204 W C 0.499 177.136 176.519 0.197 0.000 1.318 204 W CA -1.209 56.183 57.345 0.078 0.000 1.608 204 W CB -1.134 28.258 29.460 -0.114 0.000 1.124 204 W HN 0.088 nan 8.180 nan 0.000 0.694 205 W N 4.578 125.792 121.300 -0.143 0.000 2.308 205 W HA 0.167 4.827 4.660 -0.000 0.000 0.324 205 W C -0.604 176.030 176.519 0.192 0.000 1.387 205 W CA 0.569 57.918 57.345 0.006 0.000 1.250 205 W CB 0.606 29.830 29.460 -0.392 0.000 1.257 205 W HN 0.007 nan 8.180 nan 0.000 0.554 206 E N 3.509 123.584 120.200 -0.207 0.000 2.195 206 E HA 0.044 4.394 4.350 -0.000 0.000 0.271 206 E C -0.208 175.996 176.600 -0.659 0.000 0.923 206 E CA -0.601 55.614 56.400 -0.308 0.000 0.790 206 E CB 1.408 30.878 29.700 -0.383 0.000 1.155 206 E HN 0.343 nan 8.360 nan 0.000 0.402 207 D N 0.550 120.794 120.400 -0.259 0.000 2.371 207 D HA -0.048 4.592 4.640 -0.000 0.000 0.234 207 D C 0.916 177.070 176.300 -0.243 0.000 1.049 207 D CA 0.509 54.413 54.000 -0.159 0.000 0.907 207 D CB 0.191 41.060 40.800 0.115 0.000 0.891 207 D HN 0.153 nan 8.370 nan 0.000 0.531 208 S N -0.118 115.321 115.700 -0.435 0.000 2.406 208 S HA -0.125 4.344 4.470 -0.000 0.000 0.228 208 S C 1.175 175.574 174.600 -0.335 0.000 1.020 208 S CA 0.348 58.333 58.200 -0.358 0.000 0.965 208 S CB -0.271 62.678 63.200 -0.419 0.000 0.798 208 S HN 0.341 nan 8.310 nan 0.000 0.488 209 Y N 1.755 121.797 120.300 -0.431 0.000 2.556 209 Y HA 0.066 4.616 4.550 -0.000 0.000 0.290 209 Y C 2.149 177.925 175.900 -0.207 0.000 1.149 209 Y CA 0.358 58.175 58.100 -0.471 0.000 1.329 209 Y CB -0.819 37.064 38.460 -0.962 0.000 0.975 209 Y HN 0.431 nan 8.280 nan 0.000 0.561 210 G N -2.514 106.293 108.800 0.012 0.000 2.901 210 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.194 210 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.194 210 G C -0.195 175.015 174.900 0.516 0.000 1.020 210 G CA -0.145 45.136 45.100 0.301 0.000 0.787 210 G HN 0.368 nan 8.290 nan 0.000 0.477 211 Y N -1.180 119.410 120.300 0.484 0.000 2.905 211 Y HA 0.839 5.389 4.550 -0.000 0.000 0.322 211 Y C -0.677 175.614 175.900 0.653 0.000 1.455 211 Y CA -1.538 56.842 58.100 0.467 0.000 1.083 211 Y CB 0.563 39.262 38.460 0.397 0.000 1.473 211 Y HN 0.346 nan 8.280 nan 0.000 0.449 212 H N 0.525 119.922 119.070 0.546 0.000 2.658 212 H HA 0.626 5.182 4.556 -0.000 0.000 0.337 212 H C -1.824 173.755 175.328 0.419 0.000 1.009 212 H CA -0.844 55.502 56.048 0.495 0.000 1.231 212 H CB 1.078 31.044 29.762 0.340 0.000 1.508 212 H HN 0.624 nan 8.280 nan 0.000 0.517 213 L N 5.335 126.617 121.223 0.099 0.000 2.433 213 L HA 0.031 4.371 4.340 -0.000 0.000 0.275 213 L C 1.464 178.423 176.870 0.149 0.000 1.128 213 L CA 0.453 55.354 54.840 0.101 0.000 0.875 213 L CB 0.228 42.221 42.059 -0.109 0.000 1.171 213 L HN 0.861 nan 8.230 nan 0.000 0.463 214 D N 2.587 123.200 120.400 0.354 0.000 2.242 214 D HA -0.214 4.425 4.640 -0.000 0.000 0.193 214 D C 1.265 177.746 176.300 0.303 0.000 1.005 214 D CA 1.926 56.162 54.000 0.393 0.000 0.856 214 D CB 0.298 41.266 40.800 0.281 0.000 1.001 214 D HN 0.494 nan 8.370 nan 0.000 0.452 215 R N -0.673 119.895 120.500 0.114 0.000 2.662 215 R HA 0.204 4.544 4.340 -0.000 0.000 0.396 215 R C -0.408 175.879 176.300 -0.022 0.000 1.096 215 R CA -0.279 55.859 56.100 0.063 0.000 1.081 215 R CB 0.771 31.073 30.300 0.004 0.000 1.382 215 R HN 0.061 nan 8.270 nan 0.000 0.580 216 K N 0.645 121.004 120.400 -0.069 0.000 2.405 216 K HA 0.078 4.398 4.320 -0.000 0.000 0.276 216 K C 0.766 177.399 176.600 0.055 0.000 1.099 216 K CA 0.800 57.024 56.287 -0.105 0.000 1.120 216 K CB 0.678 33.090 32.500 -0.146 0.000 0.877 216 K HN 0.429 nan 8.250 nan 0.000 0.472 217 G N 3.142 112.028 108.800 0.142 0.000 3.957 217 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.131 217 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.131 217 G C 0.750 175.777 174.900 0.212 0.000 2.236 217 G CA -0.484 44.724 45.100 0.181 0.000 1.096 217 G HN 0.537 nan 8.290 nan 0.000 0.322 218 E N 0.573 120.859 120.200 0.144 0.000 2.072 218 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 218 E C 2.536 179.209 176.600 0.122 0.000 0.985 218 E CA 1.025 57.527 56.400 0.169 0.000 0.801 218 E CB -0.009 29.747 29.700 0.093 0.000 0.750 218 E HN 0.264 nan 8.360 nan 0.000 0.452 219 L N 0.535 121.773 121.223 0.025 0.000 1.990 219 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 219 L C 2.248 179.123 176.870 0.008 0.000 1.072 219 L CA 1.625 56.475 54.840 0.017 0.000 0.755 219 L CB -1.086 40.878 42.059 -0.158 0.000 0.889 219 L HN 0.125 nan 8.230 nan 0.000 0.432 220 F N -0.295 119.652 119.950 -0.005 0.000 2.069 220 F HA -0.329 4.198 4.527 -0.000 0.000 0.298 220 F C 2.540 178.282 175.800 -0.096 0.000 1.113 220 F CA 1.581 59.534 58.000 -0.079 0.000 1.214 220 F CB -0.674 38.414 39.000 0.146 0.000 0.978 220 F HN 0.165 nan 8.300 nan 0.000 0.474 221 F N 0.809 120.724 119.950 -0.059 0.000 2.032 221 F HA -0.331 4.196 4.527 -0.000 0.000 0.297 221 F C 2.377 178.015 175.800 -0.269 0.000 1.125 221 F CA 2.368 60.022 58.000 -0.576 0.000 1.202 221 F CB -1.617 36.917 39.000 -0.777 0.000 0.958 221 F HN 0.337 nan 8.300 nan 0.000 0.491 222 W N 1.190 121.830 121.300 -1.101 0.000 2.333 222 W HA -0.234 4.425 4.660 -0.000 0.000 0.316 222 W C 2.286 178.382 176.519 -0.706 0.000 1.215 222 W CA 2.368 59.103 57.345 -1.016 0.000 1.278 222 W CB -0.624 28.497 29.460 -0.566 0.000 1.154 222 W HN -0.050 nan 8.180 nan 0.000 0.486 223 V N 0.631 120.096 119.914 -0.747 0.000 2.380 223 V HA -0.343 3.777 4.120 -0.000 0.000 0.251 223 V C 1.776 177.271 176.094 -0.999 0.000 1.063 223 V CA 2.478 64.171 62.300 -1.011 0.000 1.055 223 V CB -1.200 29.673 31.823 -1.583 0.000 0.657 223 V HN 0.259 nan 8.190 nan 0.000 0.455 224 H N -2.266 116.379 119.070 -0.709 0.000 2.525 224 H HA 0.007 4.563 4.556 -0.000 0.000 0.275 224 H C 2.216 177.350 175.328 -0.323 0.000 0.984 224 H CA 1.041 56.799 56.048 -0.483 0.000 1.264 224 H CB -0.066 29.438 29.762 -0.430 0.000 1.432 224 H HN 0.540 nan 8.280 nan 0.000 0.549 225 H N 0.684 119.447 119.070 -0.512 0.000 2.403 225 H HA -0.036 4.519 4.556 -0.000 0.000 0.298 225 H C 1.490 176.464 175.328 -0.590 0.000 1.059 225 H CA 0.934 56.651 56.048 -0.553 0.000 1.363 225 H CB 0.539 29.753 29.762 -0.914 0.000 1.410 225 H HN 0.416 nan 8.280 nan 0.000 0.528 226 Q N 0.011 119.297 119.800 -0.856 0.000 2.096 226 Q HA -0.070 4.269 4.340 -0.000 0.000 0.197 226 Q C 2.520 178.299 176.000 -0.369 0.000 0.964 226 Q CA 0.553 55.903 55.803 -0.755 0.000 0.838 226 Q CB 0.293 28.499 28.738 -0.886 0.000 0.906 226 Q HN 0.298 nan 8.270 nan 0.000 0.444 227 L N 0.346 121.420 121.223 -0.248 0.000 1.990 227 L HA -0.229 4.110 4.340 -0.000 0.000 0.213 227 L C 2.403 179.343 176.870 0.116 0.000 1.072 227 L CA 1.940 56.816 54.840 0.061 0.000 0.755 227 L CB -1.017 41.114 42.059 0.119 0.000 0.889 227 L HN 0.205 nan 8.230 nan 0.000 0.432 228 T N -0.712 113.875 114.554 0.054 0.000 2.737 228 T HA -0.251 4.099 4.350 -0.000 0.000 0.269 228 T C 1.886 176.575 174.700 -0.019 0.000 1.040 228 T CA 1.400 63.572 62.100 0.120 0.000 1.142 228 T CB -0.429 68.525 68.868 0.144 0.000 0.861 228 T HN 0.466 nan 8.240 nan 0.000 0.456 229 A N 1.832 124.511 122.820 -0.234 0.000 1.840 229 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 229 A C 2.374 179.858 177.584 -0.168 0.000 1.198 229 A CA 1.043 52.925 52.037 -0.260 0.000 0.608 229 A CB -0.479 18.229 19.000 -0.486 0.000 0.839 229 A HN 0.394 nan 8.150 nan 0.000 0.443 230 R N -1.643 118.773 120.500 -0.139 0.000 2.113 230 R HA -0.207 4.133 4.340 -0.000 0.000 0.244 230 R C 2.010 178.086 176.300 -0.374 0.000 1.142 230 R CA 1.807 57.850 56.100 -0.095 0.000 0.953 230 R CB -0.743 29.591 30.300 0.057 0.000 0.860 230 R HN 0.553 nan 8.270 nan 0.000 0.438 231 F N 2.426 121.954 119.950 -0.703 0.000 2.046 231 F HA -0.234 4.293 4.527 -0.000 0.000 0.297 231 F C 1.930 177.340 175.800 -0.650 0.000 1.123 231 F CA 1.759 59.099 58.000 -1.100 0.000 1.199 231 F CB -0.435 37.832 39.000 -1.222 0.000 0.972 231 F HN -0.073 nan 8.300 nan 0.000 0.474 232 D N -0.057 120.091 120.400 -0.419 0.000 2.149 232 D HA -0.236 4.404 4.640 -0.000 0.000 0.194 232 D C 2.300 178.296 176.300 -0.506 0.000 1.001 232 D CA 1.460 55.202 54.000 -0.430 0.000 0.849 232 D CB -0.600 40.096 40.800 -0.172 0.000 0.939 232 D HN 0.255 nan 8.370 nan 0.000 0.449 233 F N 1.635 121.307 119.950 -0.464 0.000 2.046 233 F HA -0.177 4.349 4.527 -0.000 0.000 0.297 233 F C 2.444 177.977 175.800 -0.445 0.000 1.123 233 F CA 1.181 58.928 58.000 -0.423 0.000 1.199 233 F CB -0.403 38.366 39.000 -0.384 0.000 0.972 233 F HN -0.070 nan 8.300 nan 0.000 0.474 234 E N 0.403 120.420 120.200 -0.305 0.000 2.097 234 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 234 E C 2.127 178.489 176.600 -0.396 0.000 1.000 234 E CA 1.689 57.889 56.400 -0.334 0.000 0.804 234 E CB -0.651 28.772 29.700 -0.461 0.000 0.740 234 E HN 0.572 nan 8.360 nan 0.000 0.454 235 R N 0.507 120.648 120.500 -0.598 0.000 2.189 235 R HA -0.027 4.312 4.340 -0.000 0.000 0.223 235 R C 2.366 178.445 176.300 -0.367 0.000 1.092 235 R CA 0.701 56.495 56.100 -0.511 0.000 0.989 235 R CB -0.527 29.400 30.300 -0.621 0.000 0.876 235 R HN 0.053 nan 8.270 nan 0.000 0.457 236 L N 1.491 122.512 121.223 -0.336 0.000 2.005 236 L HA -0.066 4.273 4.340 -0.000 0.000 0.207 236 L C 1.883 178.526 176.870 -0.379 0.000 1.072 236 L CA 1.870 56.545 54.840 -0.276 0.000 0.744 236 L CB -0.452 41.491 42.059 -0.194 0.000 0.895 236 L HN 0.109 nan 8.230 nan 0.000 0.433 237 S N 0.076 115.574 115.700 -0.337 0.000 2.493 237 S HA -0.085 4.385 4.470 -0.000 0.000 0.243 237 S C 1.192 175.334 174.600 -0.763 0.000 0.991 237 S CA 0.988 58.907 58.200 -0.468 0.000 0.957 237 S CB -0.529 62.518 63.200 -0.255 0.000 0.756 237 S HN 0.522 nan 8.310 nan 0.000 0.521 238 N N -0.503 117.822 118.700 -0.625 0.000 2.328 238 N HA 0.123 4.863 4.740 -0.000 0.000 0.247 238 N C -0.779 174.467 175.510 -0.439 0.000 1.165 238 N CA -0.124 52.584 53.050 -0.571 0.000 0.873 238 N CB 0.184 38.549 38.487 -0.204 0.000 1.125 238 N HN 0.534 nan 8.380 nan 0.000 0.513 239 W N 0.004 121.287 121.300 -0.027 0.000 3.520 239 W HA -0.241 4.419 4.660 -0.000 0.000 0.305 239 W C -0.294 176.200 176.519 -0.041 0.000 1.150 239 W CA -0.225 57.103 57.345 -0.027 0.000 0.656 239 W CB -2.202 27.252 29.460 -0.010 0.000 2.198 239 W HN 0.052 nan 8.180 nan 0.000 1.417 240 L N 1.032 122.245 121.223 -0.017 0.000 2.360 240 L HA 0.400 4.740 4.340 -0.000 0.000 0.271 240 L C 0.861 177.683 176.870 -0.081 0.000 1.057 240 L CA -0.632 54.178 54.840 -0.049 0.000 0.803 240 L CB 0.622 42.605 42.059 -0.126 0.000 1.207 240 L HN -0.193 nan 8.230 nan 0.000 0.445 241 D N 1.755 122.122 120.400 -0.055 0.000 2.175 241 D HA 0.298 4.937 4.640 -0.000 0.000 0.248 241 D C -2.218 174.040 176.300 -0.072 0.000 1.047 241 D CA -1.090 52.880 54.000 -0.049 0.000 0.883 241 D CB 1.690 42.489 40.800 -0.003 0.000 1.180 241 D HN 0.178 nan 8.370 nan 0.000 0.438 242 P HA -0.133 nan 4.420 nan 0.000 0.268 242 P C -0.269 177.044 177.300 0.023 0.000 1.171 242 P CA 0.079 63.168 63.100 -0.018 0.000 0.761 242 P CB 0.365 32.136 31.700 0.118 0.000 0.786 243 V N -0.199 119.749 119.914 0.056 0.000 2.637 243 V HA 0.159 4.279 4.120 -0.000 0.000 0.296 243 V C 0.103 176.248 176.094 0.085 0.000 1.046 243 V CA -0.904 61.457 62.300 0.102 0.000 1.066 243 V CB 0.053 32.011 31.823 0.225 0.000 0.968 243 V HN 0.390 nan 8.190 nan 0.000 0.483 244 D N 2.831 123.262 120.400 0.052 0.000 2.449 244 D HA 0.103 4.743 4.640 -0.000 0.000 0.236 244 D C 0.112 176.398 176.300 -0.023 0.000 1.149 244 D CA 0.131 54.137 54.000 0.011 0.000 0.878 244 D CB 0.493 41.285 40.800 -0.012 0.000 1.198 244 D HN 0.933 nan 8.370 nan 0.000 0.446 245 E N 0.677 120.830 120.200 -0.077 0.000 2.249 245 E HA 0.291 4.640 4.350 -0.000 0.000 0.280 245 E C -0.853 175.522 176.600 -0.376 0.000 1.016 245 E CA -0.929 55.391 56.400 -0.134 0.000 0.830 245 E CB 0.930 30.578 29.700 -0.086 0.000 1.081 245 E HN 0.392 nan 8.360 nan 0.000 0.395 246 L N 4.546 125.536 121.223 -0.389 0.000 2.349 246 L HA 0.290 4.630 4.340 -0.000 0.000 0.275 246 L C -1.265 175.112 176.870 -0.821 0.000 1.115 246 L CA 0.153 54.652 54.840 -0.568 0.000 0.820 246 L CB 0.614 42.317 42.059 -0.594 0.000 1.135 246 L HN 0.632 nan 8.230 nan 0.000 0.445 247 H N 2.325 121.162 119.070 -0.388 0.000 2.622 247 H HA 0.268 4.824 4.556 -0.000 0.000 0.363 247 H C -0.711 174.339 175.328 -0.463 0.000 1.151 247 H CA -0.385 55.442 56.048 -0.368 0.000 1.184 247 H CB 0.920 30.633 29.762 -0.083 0.000 1.643 247 H HN 0.733 nan 8.280 nan 0.000 0.531 248 W N 0.372 121.615 121.300 -0.095 0.000 2.770 248 W HA -0.000 4.659 4.660 -0.000 0.000 0.256 248 W C 0.729 177.224 176.519 -0.041 0.000 1.291 248 W CA 0.530 57.706 57.345 -0.282 0.000 1.396 248 W CB 0.054 29.301 29.460 -0.355 0.000 1.114 248 W HN 0.728 nan 8.180 nan 0.000 0.637 249 D N -0.968 119.565 120.400 0.222 0.000 2.339 249 D HA 0.011 4.651 4.640 -0.000 0.000 0.217 249 D C 0.992 177.419 176.300 0.211 0.000 1.050 249 D CA 0.212 54.328 54.000 0.192 0.000 0.856 249 D CB 0.027 40.904 40.800 0.127 0.000 0.922 249 D HN -0.172 nan 8.370 nan 0.000 0.518 250 R N 0.784 121.419 120.500 0.226 0.000 2.875 250 R HA 0.548 4.888 4.340 -0.000 0.000 0.251 250 R C 0.494 176.902 176.300 0.181 0.000 1.123 250 R CA -1.067 55.156 56.100 0.206 0.000 1.064 250 R CB 0.634 31.048 30.300 0.190 0.000 1.205 250 R HN 0.135 nan 8.270 nan 0.000 0.503 251 I N -1.112 119.469 120.570 0.019 0.000 2.882 251 I HA 0.292 4.462 4.170 -0.000 0.000 0.286 251 I C 0.383 176.443 176.117 -0.095 0.000 1.139 251 I CA -0.318 60.855 61.300 -0.213 0.000 1.379 251 I CB 0.259 38.072 38.000 -0.311 0.000 1.410 251 I HN 0.304 nan 8.210 nan 0.000 0.594 252 I N 4.623 125.091 120.570 -0.170 0.000 2.256 252 I HA 0.211 4.380 4.170 -0.000 0.000 0.294 252 I C 1.349 177.383 176.117 -0.137 0.000 1.127 252 I CA -0.409 60.787 61.300 -0.173 0.000 1.247 252 I CB 0.294 38.100 38.000 -0.322 0.000 1.460 252 I HN 0.677 nan 8.210 nan 0.000 0.511 253 R N 3.011 123.455 120.500 -0.092 0.000 2.113 253 R HA -0.145 4.195 4.340 -0.000 0.000 0.231 253 R C 0.594 176.864 176.300 -0.050 0.000 1.129 253 R CA 1.552 57.615 56.100 -0.061 0.000 0.915 253 R CB -0.071 30.209 30.300 -0.032 0.000 0.837 253 R HN 0.476 nan 8.270 nan 0.000 0.430 254 E N 0.631 120.805 120.200 -0.044 0.000 1.993 254 E HA 0.273 4.623 4.350 -0.000 0.000 0.271 254 E C -0.721 175.861 176.600 -0.030 0.000 1.008 254 E CA -0.189 56.197 56.400 -0.023 0.000 0.814 254 E CB 0.746 30.444 29.700 -0.004 0.000 1.098 254 E HN 0.357 nan 8.360 nan 0.000 0.407 255 G N 2.720 111.518 108.800 -0.004 0.000 2.462 255 G HA2 0.560 4.519 3.960 -0.000 0.000 0.319 255 G HA3 0.560 4.519 3.960 -0.000 0.000 0.319 255 G C -1.004 174.000 174.900 0.172 0.000 1.171 255 G CA -0.512 44.609 45.100 0.036 0.000 0.920 255 G HN 0.383 nan 8.290 nan 0.000 0.499 256 F N -0.709 119.223 119.950 -0.030 0.000 2.664 256 F HA 0.871 5.397 4.527 -0.000 0.000 0.317 256 F C -0.669 175.121 175.800 -0.016 0.000 1.108 256 F CA -3.075 54.916 58.000 -0.016 0.000 0.957 256 F CB 1.526 40.521 39.000 -0.009 0.000 1.365 256 F HN 0.772 nan 8.300 nan 0.000 0.475 257 A N 2.871 125.473 122.820 -0.363 0.000 2.304 257 A HA 0.705 5.025 4.320 -0.000 0.000 0.314 257 A C -2.356 174.631 177.584 -0.994 0.000 1.187 257 A CA -1.450 50.297 52.037 -0.482 0.000 0.810 257 A CB 0.848 19.723 19.000 -0.209 0.000 1.183 257 A HN 0.651 nan 8.150 nan 0.000 0.487 258 P HA 0.051 nan 4.420 nan 0.000 0.230 258 P C 0.270 177.355 177.300 -0.359 0.000 1.168 258 P CA 0.156 62.744 63.100 -0.854 0.000 0.793 258 P CB 0.031 31.404 31.700 -0.544 0.000 0.851 259 L N -0.045 121.045 121.223 -0.222 0.000 3.839 259 L HA -0.152 4.188 4.340 -0.000 0.000 0.416 259 L C -0.230 176.620 176.870 -0.034 0.000 1.195 259 L CA 1.076 55.860 54.840 -0.093 0.000 0.946 259 L CB -3.164 38.836 42.059 -0.098 0.000 1.891 259 L HN 0.081 nan 8.230 nan 0.000 0.963 260 T N -1.151 113.410 114.554 0.012 0.000 2.912 260 T HA 0.787 5.137 4.350 -0.000 0.000 0.288 260 T C 0.256 175.216 174.700 0.433 0.000 1.030 260 T CA -0.374 61.791 62.100 0.107 0.000 1.020 260 T CB 2.172 70.927 68.868 -0.188 0.000 1.056 260 T HN 0.153 nan 8.240 nan 0.000 0.480 261 S N 0.526 116.462 115.700 0.393 0.000 2.548 261 S HA 0.597 5.067 4.470 -0.000 0.000 0.286 261 S C -1.237 173.512 174.600 0.248 0.000 1.098 261 S CA -0.775 57.608 58.200 0.306 0.000 0.930 261 S CB 0.929 64.245 63.200 0.193 0.000 1.070 261 S HN 0.560 nan 8.310 nan 0.000 0.480 262 Y N 1.742 121.976 120.300 -0.109 0.000 2.281 262 Y HA 0.272 4.822 4.550 -0.000 0.000 0.337 262 Y C 1.764 177.503 175.900 -0.268 0.000 1.304 262 Y CA 0.047 58.046 58.100 -0.168 0.000 1.465 262 Y CB 0.571 38.862 38.460 -0.281 0.000 1.350 262 Y HN 0.534 nan 8.280 nan 0.000 0.575 263 K N 0.588 120.835 120.400 -0.255 0.000 2.029 263 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 263 K C -0.808 175.430 176.600 -0.602 0.000 1.042 263 K CA 1.279 57.028 56.287 -0.898 0.000 0.949 263 K CB -0.156 31.624 32.500 -1.201 0.000 0.740 263 K HN 0.576 nan 8.250 nan 0.000 0.442 264 Y N -0.789 119.491 120.300 -0.033 0.000 2.328 264 Y HA 0.435 4.985 4.550 -0.000 0.000 0.337 264 Y C 1.041 176.972 175.900 0.052 0.000 0.966 264 Y CA -0.091 58.015 58.100 0.010 0.000 1.136 264 Y CB 1.902 40.390 38.460 0.047 0.000 1.170 264 Y HN 0.415 nan 8.280 nan 0.000 0.470 265 G N 0.523 109.392 108.800 0.115 0.000 4.077 265 G HA2 0.348 4.308 3.960 -0.000 0.000 0.199 265 G HA3 0.348 4.308 3.960 -0.000 0.000 0.199 265 G C 0.284 175.082 174.900 -0.169 0.000 1.302 265 G CA 0.131 45.181 45.100 -0.083 0.000 0.918 265 G HN 1.532 nan 8.290 nan 0.000 0.369 266 G N -0.333 108.423 108.800 -0.074 0.000 2.306 266 G HA2 0.278 4.238 3.960 -0.000 0.000 0.262 266 G HA3 0.278 4.238 3.960 -0.000 0.000 0.262 266 G C -1.363 173.533 174.900 -0.007 0.000 1.263 266 G CA 0.090 45.162 45.100 -0.047 0.000 1.088 266 G HN 0.652 nan 8.290 nan 0.000 0.489 267 E N -0.178 120.023 120.200 0.002 0.000 2.175 267 E HA 0.505 4.855 4.350 -0.000 0.000 0.278 267 E C -0.438 176.209 176.600 0.079 0.000 0.969 267 E CA -0.590 55.853 56.400 0.071 0.000 0.796 267 E CB 1.134 30.880 29.700 0.077 0.000 1.104 267 E HN 0.280 nan 8.360 nan 0.000 0.395 268 F N 4.348 124.382 119.950 0.139 0.000 2.623 268 F HA -0.025 4.502 4.527 -0.000 0.000 0.386 268 F C -1.415 174.410 175.800 0.041 0.000 1.068 268 F CA -0.862 57.217 58.000 0.131 0.000 1.265 268 F CB -0.197 38.856 39.000 0.089 0.000 1.026 268 F HN 0.209 nan 8.300 nan 0.000 0.568 269 P HA 0.076 nan 4.420 nan 0.000 0.268 269 P C -0.489 176.876 177.300 0.108 0.000 1.205 269 P CA -0.060 63.096 63.100 0.093 0.000 0.771 269 P CB 1.562 33.296 31.700 0.057 0.000 0.858 270 V N 3.913 123.858 119.914 0.052 0.000 2.834 270 V HA 0.548 4.668 4.120 -0.000 0.000 0.313 270 V C -0.095 176.026 176.094 0.046 0.000 1.060 270 V CA -0.966 61.358 62.300 0.040 0.000 0.989 270 V CB 1.473 33.285 31.823 -0.017 0.000 1.041 270 V HN 0.616 nan 8.190 nan 0.000 0.459 271 R N 4.923 125.469 120.500 0.076 0.000 2.534 271 R HA 0.668 5.008 4.340 -0.000 0.000 0.301 271 R C -2.846 173.473 176.300 0.031 0.000 0.961 271 R CA -1.779 54.345 56.100 0.040 0.000 0.871 271 R CB 2.259 32.576 30.300 0.028 0.000 1.170 271 R HN 0.632 nan 8.270 nan 0.000 0.446 272 P HA 0.155 nan 4.420 nan 0.000 0.279 272 P C -1.250 176.041 177.300 -0.016 0.000 1.252 272 P CA -0.441 62.657 63.100 -0.004 0.000 0.811 272 P CB 0.751 32.446 31.700 -0.009 0.000 1.035 273 D N 0.246 120.640 120.400 -0.011 0.000 2.340 273 D HA 0.106 4.746 4.640 -0.000 0.000 0.251 273 D C -0.106 176.168 176.300 -0.043 0.000 1.080 273 D CA -0.462 53.523 54.000 -0.026 0.000 0.971 273 D CB 0.257 41.053 40.800 -0.006 0.000 1.137 273 D HN 0.333 nan 8.370 nan 0.000 0.475 274 N N -0.521 118.139 118.700 -0.066 0.000 2.754 274 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 274 N C -0.327 175.099 175.510 -0.141 0.000 1.093 274 N CA 0.342 53.337 53.050 -0.092 0.000 0.699 274 N CB -1.358 37.100 38.487 -0.048 0.000 1.016 274 N HN 0.596 nan 8.380 nan 0.000 0.552 275 I N 0.388 120.864 120.570 -0.157 0.000 2.612 275 I HA 0.078 4.247 4.170 -0.000 0.000 0.295 275 I C 0.601 176.562 176.117 -0.261 0.000 1.011 275 I CA -0.332 60.876 61.300 -0.153 0.000 1.326 275 I CB 0.673 38.595 38.000 -0.130 0.000 1.427 275 I HN 0.071 nan 8.210 nan 0.000 0.537 276 H N 5.093 124.167 119.070 0.008 0.000 2.488 276 H HA 0.258 4.814 4.556 -0.000 0.000 0.322 276 H C -0.874 174.509 175.328 0.092 0.000 1.078 276 H CA -0.357 55.736 56.048 0.075 0.000 1.260 276 H CB 0.975 30.796 29.762 0.098 0.000 1.425 276 H HN 0.328 nan 8.280 nan 0.000 0.471 277 F N 2.885 122.949 119.950 0.191 0.000 2.546 277 F HA -0.041 4.486 4.527 -0.000 0.000 0.388 277 F C 0.910 176.807 175.800 0.163 0.000 1.051 277 F CA 0.670 58.768 58.000 0.164 0.000 1.130 277 F CB 0.066 39.197 39.000 0.218 0.000 1.044 277 F HN 0.475 nan 8.300 nan 0.000 0.553 278 E N 2.657 123.037 120.200 0.301 0.000 2.231 278 E HA 0.063 4.412 4.350 -0.000 0.000 0.277 278 E C -0.766 175.978 176.600 0.241 0.000 0.999 278 E CA -0.966 55.582 56.400 0.247 0.000 0.827 278 E CB 1.100 30.906 29.700 0.177 0.000 1.101 278 E HN 0.363 nan 8.360 nan 0.000 0.393 279 D N 1.750 122.291 120.400 0.236 0.000 2.472 279 D HA -0.011 4.628 4.640 -0.000 0.000 0.248 279 D C -0.982 175.418 176.300 0.167 0.000 1.174 279 D CA 0.342 54.454 54.000 0.187 0.000 0.883 279 D CB 0.585 41.519 40.800 0.224 0.000 1.149 279 D HN 0.034 nan 8.370 nan 0.000 0.488 280 V N 4.276 124.230 119.914 0.066 0.000 2.347 280 V HA 0.206 4.326 4.120 -0.000 0.000 0.280 280 V C -0.773 175.313 176.094 -0.013 0.000 1.021 280 V CA -0.960 61.359 62.300 0.032 0.000 0.847 280 V CB 1.226 33.054 31.823 0.007 0.000 0.990 280 V HN 0.371 nan 8.190 nan 0.000 0.444 281 D N 5.242 125.670 120.400 0.047 0.000 2.493 281 D HA 0.371 5.011 4.640 -0.000 0.000 0.240 281 D C 1.284 177.570 176.300 -0.022 0.000 1.142 281 D CA 1.340 55.340 54.000 0.000 0.000 0.872 281 D CB 1.072 41.906 40.800 0.057 0.000 1.173 281 D HN 1.169 nan 8.370 nan 0.000 0.467 282 G N 0.515 109.287 108.800 -0.047 0.000 2.336 282 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.233 282 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.233 282 G C 0.997 175.879 174.900 -0.031 0.000 1.053 282 G CA 0.347 45.431 45.100 -0.026 0.000 0.625 282 G HN 0.447 nan 8.290 nan 0.000 0.511 283 V N 0.285 120.172 119.914 -0.045 0.000 2.423 283 V HA 0.698 4.818 4.120 -0.000 0.000 0.233 283 V C 1.252 177.305 176.094 -0.069 0.000 1.067 283 V CA 2.203 64.478 62.300 -0.041 0.000 1.073 283 V CB -0.248 31.555 31.823 -0.033 0.000 0.715 283 V HN 2.108 nan 8.190 nan 0.000 0.485 284 A N -2.148 120.607 122.820 -0.108 0.000 2.550 284 A HA 0.481 4.801 4.320 -0.000 0.000 0.295 284 A C -1.009 176.485 177.584 -0.150 0.000 1.001 284 A CA -0.753 51.203 52.037 -0.134 0.000 0.660 284 A CB 0.161 19.107 19.000 -0.090 0.000 1.308 284 A HN 0.389 nan 8.150 nan 0.000 0.426 285 H N 0.484 119.525 119.070 -0.048 0.000 2.771 285 H HA 0.185 4.741 4.556 -0.000 0.000 0.364 285 H C 1.679 176.942 175.328 -0.109 0.000 1.133 285 H CA 1.032 57.060 56.048 -0.034 0.000 1.423 285 H CB 1.183 30.944 29.762 -0.001 0.000 1.425 285 H HN 0.398 nan 8.280 nan 0.000 0.606 286 V N 2.025 121.979 119.914 0.066 0.000 2.343 286 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 286 V C 2.207 178.181 176.094 -0.199 0.000 1.051 286 V CA 2.197 64.433 62.300 -0.106 0.000 1.036 286 V CB -0.752 31.097 31.823 0.044 0.000 0.654 286 V HN 0.761 nan 8.190 nan 0.000 0.451 287 H N 0.476 119.470 119.070 -0.127 0.000 2.457 287 H HA -0.127 4.429 4.556 -0.000 0.000 0.294 287 H C 1.921 177.151 175.328 -0.163 0.000 1.064 287 H CA 1.591 57.561 56.048 -0.130 0.000 1.330 287 H CB -0.216 29.491 29.762 -0.091 0.000 1.395 287 H HN 0.358 nan 8.280 nan 0.000 0.541 288 D N -0.403 119.917 120.400 -0.134 0.000 2.218 288 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 288 D C 2.097 178.215 176.300 -0.304 0.000 0.976 288 D CA 0.757 54.654 54.000 -0.171 0.000 0.853 288 D CB 0.013 40.792 40.800 -0.034 0.000 0.939 288 D HN 0.421 nan 8.370 nan 0.000 0.481 289 L N 0.223 121.154 121.223 -0.487 0.000 2.062 289 L HA -0.032 4.308 4.340 -0.000 0.000 0.202 289 L C 2.297 178.880 176.870 -0.477 0.000 1.079 289 L CA 0.656 55.097 54.840 -0.665 0.000 0.755 289 L CB -0.382 40.804 42.059 -1.455 0.000 0.913 289 L HN -0.086 nan 8.230 nan 0.000 0.445 290 E N 0.716 120.605 120.200 -0.519 0.000 2.095 290 E HA -0.313 4.037 4.350 -0.000 0.000 0.212 290 E C 2.079 178.548 176.600 -0.217 0.000 1.044 290 E CA 2.429 58.687 56.400 -0.236 0.000 0.857 290 E CB -0.425 29.167 29.700 -0.180 0.000 0.764 290 E HN 0.587 nan 8.360 nan 0.000 0.462 291 I N -0.825 119.528 120.570 -0.362 0.000 2.179 291 I HA -0.217 3.952 4.170 -0.000 0.000 0.242 291 I C 2.333 178.353 176.117 -0.162 0.000 1.088 291 I CA 1.525 62.674 61.300 -0.252 0.000 1.357 291 I CB -1.139 36.696 38.000 -0.275 0.000 1.051 291 I HN -0.036 nan 8.210 nan 0.000 0.409 292 T N 1.002 115.451 114.554 -0.175 0.000 2.597 292 T HA -0.308 4.042 4.350 -0.000 0.000 0.267 292 T C 1.804 176.460 174.700 -0.074 0.000 1.053 292 T CA 2.451 64.474 62.100 -0.127 0.000 1.165 292 T CB -0.506 68.290 68.868 -0.119 0.000 0.863 292 T HN 0.575 nan 8.240 nan 0.000 0.427 293 E N 0.420 120.603 120.200 -0.027 0.000 2.147 293 E HA -0.202 4.147 4.350 -0.000 0.000 0.199 293 E C 2.195 178.838 176.600 0.071 0.000 1.005 293 E CA 1.613 58.045 56.400 0.052 0.000 0.810 293 E CB -0.112 29.723 29.700 0.226 0.000 0.736 293 E HN 0.439 nan 8.360 nan 0.000 0.460 294 S N 0.144 115.871 115.700 0.045 0.000 2.357 294 S HA -0.093 4.376 4.470 -0.000 0.000 0.221 294 S C 1.875 176.505 174.600 0.049 0.000 1.031 294 S CA 1.130 59.364 58.200 0.056 0.000 0.982 294 S CB -0.219 62.985 63.200 0.006 0.000 0.853 294 S HN 0.261 nan 8.310 nan 0.000 0.458 295 R N 0.797 121.287 120.500 -0.018 0.000 2.091 295 R HA -0.035 4.304 4.340 -0.000 0.000 0.238 295 R C 2.123 178.467 176.300 0.075 0.000 1.136 295 R CA 1.319 57.401 56.100 -0.030 0.000 0.959 295 R CB -0.498 29.573 30.300 -0.381 0.000 0.856 295 R HN 0.309 nan 8.270 nan 0.000 0.437 296 I N 0.117 120.665 120.570 -0.037 0.000 2.113 296 I HA -0.279 3.890 4.170 -0.000 0.000 0.238 296 I C 2.129 178.133 176.117 -0.188 0.000 1.070 296 I CA 1.662 62.834 61.300 -0.213 0.000 1.332 296 I CB -1.402 36.428 38.000 -0.283 0.000 1.044 296 I HN 0.271 nan 8.210 nan 0.000 0.402 297 H N 0.458 119.442 119.070 -0.143 0.000 2.560 297 H HA -0.100 4.455 4.556 -0.000 0.000 0.283 297 H C 1.963 177.237 175.328 -0.090 0.000 1.028 297 H CA 0.980 56.950 56.048 -0.130 0.000 1.221 297 H CB 0.159 29.858 29.762 -0.104 0.000 1.363 297 H HN 0.521 nan 8.280 nan 0.000 0.594 298 E N -0.717 119.531 120.200 0.081 0.000 2.389 298 E HA 0.093 4.443 4.350 -0.000 0.000 0.199 298 E C 2.031 178.693 176.600 0.103 0.000 0.978 298 E CA 0.400 56.859 56.400 0.099 0.000 0.912 298 E CB 0.385 30.191 29.700 0.175 0.000 0.907 298 E HN 0.329 nan 8.360 nan 0.000 0.494 299 A N 1.351 124.185 122.820 0.022 0.000 1.840 299 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 299 A C 2.050 179.595 177.584 -0.064 0.000 1.198 299 A CA 0.867 52.879 52.037 -0.041 0.000 0.608 299 A CB -0.657 18.230 19.000 -0.189 0.000 0.839 299 A HN 0.251 nan 8.150 nan 0.000 0.443 300 I N 0.339 120.854 120.570 -0.092 0.000 2.113 300 I HA -0.345 3.825 4.170 -0.000 0.000 0.242 300 I C 1.838 177.935 176.117 -0.034 0.000 1.057 300 I CA 1.945 63.216 61.300 -0.048 0.000 1.314 300 I CB -0.572 37.372 38.000 -0.093 0.000 1.022 300 I HN 0.279 nan 8.210 nan 0.000 0.408 301 D N -0.778 119.590 120.400 -0.054 0.000 2.183 301 D HA -0.141 4.498 4.640 -0.000 0.000 0.203 301 D C 2.148 178.351 176.300 -0.162 0.000 0.969 301 D CA 1.073 55.011 54.000 -0.104 0.000 0.842 301 D CB -0.275 40.456 40.800 -0.116 0.000 0.957 301 D HN 0.426 nan 8.370 nan 0.000 0.484 302 H N -0.682 118.251 119.070 -0.227 0.000 2.333 302 H HA 0.050 4.606 4.556 -0.000 0.000 0.302 302 H C 1.666 176.784 175.328 -0.350 0.000 1.075 302 H CA 1.793 57.596 56.048 -0.408 0.000 1.348 302 H CB 0.601 29.796 29.762 -0.945 0.000 1.393 302 H HN 0.330 nan 8.280 nan 0.000 0.509 303 G N -0.623 108.102 108.800 -0.125 0.000 2.336 303 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.194 303 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.194 303 G C -0.418 174.562 174.900 0.135 0.000 0.999 303 G CA 0.140 45.267 45.100 0.044 0.000 0.669 303 G HN 0.485 nan 8.290 nan 0.000 0.482 304 Y N -0.114 120.275 120.300 0.147 0.000 2.553 304 Y HA 0.843 5.392 4.550 -0.000 0.000 0.347 304 Y C -0.396 175.558 175.900 0.089 0.000 1.019 304 Y CA -2.695 55.466 58.100 0.102 0.000 1.032 304 Y CB 0.978 39.486 38.460 0.080 0.000 1.284 304 Y HN 0.108 nan 8.280 nan 0.000 0.466 305 I N 2.500 123.268 120.570 0.331 0.000 2.385 305 I HA 0.431 4.600 4.170 -0.000 0.000 0.294 305 I C -0.069 176.287 176.117 0.398 0.000 0.988 305 I CA -0.725 60.737 61.300 0.270 0.000 1.265 305 I CB 2.091 40.154 38.000 0.105 0.000 1.388 305 I HN 0.865 nan 8.210 nan 0.000 0.480 306 T N 1.580 116.433 114.554 0.499 0.000 2.779 306 T HA 0.429 4.778 4.350 -0.000 0.000 0.280 306 T C -0.465 174.388 174.700 0.255 0.000 0.987 306 T CA -0.954 61.325 62.100 0.298 0.000 0.966 306 T CB 1.280 70.280 68.868 0.220 0.000 0.933 306 T HN 0.598 nan 8.240 nan 0.000 0.442 307 D N 2.678 123.172 120.400 0.156 0.000 2.440 307 D HA 0.280 4.920 4.640 -0.000 0.000 0.269 307 D C 1.347 177.640 176.300 -0.012 0.000 1.249 307 D CA -0.691 53.374 54.000 0.109 0.000 1.055 307 D CB -0.059 40.805 40.800 0.107 0.000 1.104 307 D HN 0.379 nan 8.370 nan 0.000 0.561 308 S N -0.817 114.865 115.700 -0.030 0.000 2.419 308 S HA -0.145 4.325 4.470 -0.000 0.000 0.235 308 S C 0.950 175.454 174.600 -0.159 0.000 1.019 308 S CA 1.286 59.435 58.200 -0.085 0.000 0.982 308 S CB -0.377 62.796 63.200 -0.046 0.000 0.789 308 S HN 0.497 nan 8.310 nan 0.000 0.490 309 D N 0.156 120.408 120.400 -0.247 0.000 2.327 309 D HA 0.193 4.833 4.640 -0.000 0.000 0.205 309 D C 1.414 177.479 176.300 -0.393 0.000 0.989 309 D CA 0.890 54.637 54.000 -0.421 0.000 0.873 309 D CB 0.037 40.367 40.800 -0.785 0.000 0.955 309 D HN 0.507 nan 8.370 nan 0.000 0.515 310 G N 1.198 109.828 108.800 -0.284 0.000 2.145 310 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.176 310 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.176 310 G C -0.372 174.500 174.900 -0.048 0.000 1.013 310 G CA -0.582 44.425 45.100 -0.155 0.000 0.689 310 G HN 0.438 nan 8.290 nan 0.000 0.506 311 H N 1.274 120.312 119.070 -0.054 0.000 2.562 311 H HA 0.477 5.033 4.556 -0.000 0.000 0.314 311 H C 0.747 176.037 175.328 -0.063 0.000 1.079 311 H CA 0.163 56.177 56.048 -0.057 0.000 1.349 311 H CB 1.065 30.811 29.762 -0.026 0.000 1.432 311 H HN 0.297 nan 8.280 nan 0.000 0.479 312 T N 1.901 116.440 114.554 -0.025 0.000 2.743 312 T HA 0.340 4.689 4.350 -0.000 0.000 0.293 312 T C 0.099 174.795 174.700 -0.008 0.000 0.945 312 T CA -1.002 61.012 62.100 -0.143 0.000 1.030 312 T CB 0.146 68.588 68.868 -0.710 0.000 0.912 312 T HN 0.424 nan 8.240 nan 0.000 0.483 313 I N 1.163 121.795 120.570 0.104 0.000 2.339 313 I HA 0.472 4.641 4.170 -0.000 0.000 0.290 313 I C -0.192 176.024 176.117 0.165 0.000 0.994 313 I CA -0.838 60.531 61.300 0.115 0.000 1.191 313 I CB 1.105 39.178 38.000 0.121 0.000 1.343 313 I HN 0.664 nan 8.210 nan 0.000 0.458 314 D N 6.424 126.911 120.400 0.145 0.000 2.414 314 D HA 0.131 4.771 4.640 -0.000 0.000 0.242 314 D C 0.556 176.959 176.300 0.171 0.000 1.129 314 D CA 0.113 54.223 54.000 0.184 0.000 0.885 314 D CB 1.140 42.026 40.800 0.142 0.000 1.198 314 D HN 0.835 nan 8.370 nan 0.000 0.437 315 I N 0.369 121.062 120.570 0.204 0.000 4.160 315 I HA 0.298 4.467 4.170 -0.000 0.000 0.325 315 I C 0.442 176.786 176.117 0.378 0.000 1.455 315 I CA -0.596 60.837 61.300 0.222 0.000 1.142 315 I CB 0.357 38.433 38.000 0.127 0.000 1.262 315 I HN 0.014 nan 8.210 nan 0.000 0.483 316 R N 3.224 123.908 120.500 0.307 0.000 4.518 316 R HA 0.331 4.670 4.340 -0.000 0.000 0.243 316 R C -0.413 175.965 176.300 0.131 0.000 1.720 316 R CA 0.075 56.382 56.100 0.345 0.000 1.526 316 R CB -0.219 30.226 30.300 0.242 0.000 1.425 316 R HN 0.752 nan 8.270 nan 0.000 0.787 317 Q N -2.105 117.797 119.800 0.171 0.000 2.737 317 Q HA 0.424 4.764 4.340 -0.000 0.000 0.307 317 Q C -2.374 173.690 176.000 0.106 0.000 0.905 317 Q CA -1.608 54.205 55.803 0.016 0.000 0.753 317 Q CB 1.371 30.139 28.738 0.050 0.000 1.463 317 Q HN -0.131 nan 8.270 nan 0.000 0.455 318 P HA -0.200 nan 4.420 nan 0.000 0.216 318 P C 0.593 177.982 177.300 0.148 0.000 1.150 318 P CA 1.188 64.352 63.100 0.106 0.000 0.837 318 P CB 0.184 31.925 31.700 0.067 0.000 0.786 319 K N -0.166 120.312 120.400 0.130 0.000 2.439 319 K HA 0.028 4.348 4.320 -0.000 0.000 0.197 319 K C 2.174 178.859 176.600 0.143 0.000 1.041 319 K CA 0.755 57.120 56.287 0.130 0.000 0.970 319 K CB -1.178 31.389 32.500 0.112 0.000 0.773 319 K HN 0.145 nan 8.250 nan 0.000 0.479 320 G N 2.074 110.988 108.800 0.189 0.000 2.875 320 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.220 320 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.220 320 G C 1.469 176.394 174.900 0.042 0.000 1.293 320 G CA 1.106 46.332 45.100 0.210 0.000 0.789 320 G HN 0.396 nan 8.290 nan 0.000 0.677 321 I N 1.793 122.417 120.570 0.090 0.000 2.502 321 I HA -0.231 3.939 4.170 -0.000 0.000 0.258 321 I C 2.873 179.026 176.117 0.060 0.000 1.172 321 I CA 2.272 63.565 61.300 -0.012 0.000 1.430 321 I CB -0.159 37.837 38.000 -0.008 0.000 1.086 321 I HN 0.673 nan 8.210 nan 0.000 0.440 322 E N 0.321 120.580 120.200 0.098 0.000 2.075 322 E HA -0.150 4.199 4.350 -0.000 0.000 0.190 322 E C 2.186 178.860 176.600 0.123 0.000 0.969 322 E CA 0.564 57.044 56.400 0.133 0.000 0.815 322 E CB -0.719 29.073 29.700 0.153 0.000 0.776 322 E HN 0.378 nan 8.360 nan 0.000 0.457 323 L N 0.845 122.128 121.223 0.099 0.000 2.089 323 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 323 L C 2.625 179.507 176.870 0.020 0.000 1.079 323 L CA 1.201 56.087 54.840 0.077 0.000 0.758 323 L CB -0.429 41.668 42.059 0.063 0.000 0.891 323 L HN 0.252 nan 8.230 nan 0.000 0.433 324 L N -0.883 120.327 121.223 -0.023 0.000 2.093 324 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 324 L C 2.470 179.376 176.870 0.061 0.000 1.085 324 L CA 1.332 56.125 54.840 -0.078 0.000 0.755 324 L CB -0.775 41.169 42.059 -0.191 0.000 0.904 324 L HN 0.344 nan 8.230 nan 0.000 0.435 325 G N -1.117 107.825 108.800 0.237 0.000 2.534 325 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 325 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 325 G C 1.010 175.916 174.900 0.012 0.000 1.128 325 G CA 0.345 45.613 45.100 0.281 0.000 0.784 325 G HN 0.306 nan 8.290 nan 0.000 0.542 326 D N 0.751 121.181 120.400 0.050 0.000 2.162 326 D HA -0.072 4.568 4.640 -0.000 0.000 0.203 326 D C 2.656 178.968 176.300 0.021 0.000 0.967 326 D CA 0.847 54.883 54.000 0.059 0.000 0.840 326 D CB -0.108 40.790 40.800 0.163 0.000 0.972 326 D HN 0.583 nan 8.370 nan 0.000 0.482 327 I N -2.123 118.435 120.570 -0.020 0.000 2.584 327 I HA 0.020 4.189 4.170 -0.000 0.000 0.255 327 I C 2.182 178.244 176.117 -0.091 0.000 1.145 327 I CA 0.459 61.731 61.300 -0.046 0.000 1.462 327 I CB -0.191 37.711 38.000 -0.163 0.000 1.102 327 I HN -0.177 nan 8.210 nan 0.000 0.433 328 I N 1.999 122.479 120.570 -0.150 0.000 2.202 328 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 328 I C 2.813 178.867 176.117 -0.105 0.000 1.091 328 I CA 2.109 63.306 61.300 -0.171 0.000 1.368 328 I CB -0.265 37.554 38.000 -0.300 0.000 1.058 328 I HN 0.429 nan 8.210 nan 0.000 0.410 329 E N 0.559 120.600 120.200 -0.266 0.000 2.170 329 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 329 E C 0.307 176.883 176.600 -0.039 0.000 0.981 329 E CA 0.798 57.045 56.400 -0.256 0.000 0.830 329 E CB 0.396 29.533 29.700 -0.939 0.000 0.775 329 E HN 0.209 nan 8.360 nan 0.000 0.470 330 S N 0.419 116.081 115.700 -0.064 0.000 3.823 330 S HA -0.118 4.352 4.470 -0.000 0.000 0.560 330 S C -0.266 174.388 174.600 0.090 0.000 0.724 330 S CA 0.285 58.500 58.200 0.025 0.000 1.394 330 S CB -1.490 61.735 63.200 0.042 0.000 0.856 330 S HN 0.647 nan 8.310 nan 0.000 0.768 331 S N 1.634 117.395 115.700 0.101 0.000 2.666 331 S HA 0.565 5.035 4.470 -0.000 0.000 0.279 331 S C 0.879 175.606 174.600 0.211 0.000 1.149 331 S CA -0.851 57.457 58.200 0.180 0.000 1.020 331 S CB 0.616 63.839 63.200 0.037 0.000 1.127 331 S HN 0.393 nan 8.310 nan 0.000 0.537 332 K N -0.287 120.265 120.400 0.253 0.000 2.505 332 K HA 0.078 4.398 4.320 -0.000 0.000 0.192 332 K C 0.289 177.156 176.600 0.446 0.000 1.025 332 K CA 0.347 56.826 56.287 0.319 0.000 1.086 332 K CB -0.315 32.373 32.500 0.313 0.000 0.840 332 K HN 0.586 nan 8.250 nan 0.000 0.514 333 Y N 0.955 121.336 120.300 0.135 0.000 2.511 333 Y HA 0.094 4.644 4.550 -0.000 0.000 0.279 333 Y C 1.216 177.186 175.900 0.117 0.000 1.157 333 Y CA -1.066 57.111 58.100 0.128 0.000 1.300 333 Y CB -0.380 38.156 38.460 0.127 0.000 1.052 333 Y HN -0.148 nan 8.280 nan 0.000 0.529 334 S N 0.300 116.161 115.700 0.268 0.000 2.563 334 S HA -0.034 4.436 4.470 -0.000 0.000 0.294 334 S C 1.421 176.132 174.600 0.186 0.000 1.279 334 S CA 0.310 58.629 58.200 0.198 0.000 1.069 334 S CB 0.571 63.877 63.200 0.176 0.000 0.828 334 S HN 0.418 nan 8.310 nan 0.000 0.497 335 S N 3.806 119.620 115.700 0.190 0.000 2.362 335 S HA 0.018 4.488 4.470 -0.000 0.000 0.221 335 S C 0.962 175.673 174.600 0.185 0.000 1.032 335 S CA 0.511 58.820 58.200 0.182 0.000 0.973 335 S CB -0.200 63.118 63.200 0.195 0.000 0.849 335 S HN 0.795 nan 8.310 nan 0.000 0.465 336 N N 0.940 119.791 118.700 0.252 0.000 2.750 336 N HA 0.213 4.953 4.740 -0.000 0.000 0.253 336 N C -0.012 175.608 175.510 0.183 0.000 1.408 336 N CA -0.097 53.062 53.050 0.183 0.000 0.780 336 N CB 1.236 39.806 38.487 0.138 0.000 1.191 336 N HN 0.046 nan 8.380 nan 0.000 0.511 337 V N 2.128 122.131 119.914 0.149 0.000 2.913 337 V HA -0.077 4.043 4.120 -0.000 0.000 0.260 337 V C 1.965 178.111 176.094 0.087 0.000 1.098 337 V CA 1.736 64.113 62.300 0.129 0.000 1.121 337 V CB -0.162 31.733 31.823 0.121 0.000 0.714 337 V HN 0.640 nan 8.190 nan 0.000 0.487 338 Q N -1.838 118.004 119.800 0.072 0.000 2.378 338 Q HA -0.149 4.191 4.340 -0.000 0.000 0.205 338 Q C 1.838 177.884 176.000 0.075 0.000 0.954 338 Q CA 1.360 57.196 55.803 0.054 0.000 0.901 338 Q CB 0.061 28.818 28.738 0.032 0.000 0.981 338 Q HN 0.806 nan 8.270 nan 0.000 0.483 339 Y N -0.907 119.303 120.300 -0.150 0.000 2.382 339 Y HA 0.012 4.562 4.550 -0.000 0.000 0.292 339 Y C 0.772 176.516 175.900 -0.260 0.000 1.151 339 Y CA 0.586 58.515 58.100 -0.285 0.000 1.198 339 Y CB -0.139 38.023 38.460 -0.498 0.000 1.195 339 Y HN 0.029 nan 8.280 nan 0.000 0.530 340 Y N 1.160 121.385 120.300 -0.125 0.000 2.529 340 Y HA 0.281 4.831 4.550 -0.000 0.000 0.290 340 Y C 1.921 177.748 175.900 -0.121 0.000 1.177 340 Y CA 0.056 58.026 58.100 -0.216 0.000 1.305 340 Y CB -0.795 37.581 38.460 -0.140 0.000 1.047 340 Y HN 0.288 nan 8.280 nan 0.000 0.522 341 G N 0.431 109.256 108.800 0.042 0.000 2.661 341 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.327 341 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.327 341 G C 0.371 175.295 174.900 0.039 0.000 1.320 341 G CA 0.695 45.811 45.100 0.027 0.000 0.997 341 G HN 0.443 nan 8.290 nan 0.000 0.543 342 S N -0.720 114.988 115.700 0.013 0.000 2.486 342 S HA 0.431 4.901 4.470 -0.000 0.000 0.144 342 S C 1.243 175.857 174.600 0.023 0.000 1.542 342 S CA 0.607 58.819 58.200 0.019 0.000 1.262 342 S CB -0.143 63.065 63.200 0.013 0.000 1.462 342 S HN 0.854 nan 8.310 nan 0.000 0.381 343 L N 2.875 124.117 121.223 0.032 0.000 1.997 343 L HA -0.236 4.104 4.340 -0.000 0.000 0.227 343 L C 2.444 179.407 176.870 0.156 0.000 1.087 343 L CA 2.463 57.351 54.840 0.080 0.000 0.797 343 L CB -0.566 41.547 42.059 0.089 0.000 0.902 343 L HN 0.821 nan 8.230 nan 0.000 0.441 344 H N -0.137 118.995 119.070 0.104 0.000 2.253 344 H HA -0.212 4.344 4.556 -0.000 0.000 0.296 344 H C 2.040 177.489 175.328 0.202 0.000 1.067 344 H CA 2.360 58.513 56.048 0.176 0.000 1.245 344 H CB -0.051 29.870 29.762 0.265 0.000 1.364 344 H HN 0.434 nan 8.280 nan 0.000 0.494 345 N N 0.033 118.722 118.700 -0.017 0.000 2.007 345 N HA -0.144 4.595 4.740 -0.000 0.000 0.197 345 N C 2.084 177.542 175.510 -0.087 0.000 1.050 345 N CA 2.353 55.360 53.050 -0.072 0.000 0.856 345 N CB -1.200 37.255 38.487 -0.053 0.000 1.050 345 N HN 0.409 nan 8.380 nan 0.000 0.423 346 T N 1.198 115.729 114.554 -0.038 0.000 2.685 346 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 346 T C 1.878 176.548 174.700 -0.049 0.000 1.034 346 T CA 1.718 63.786 62.100 -0.052 0.000 1.149 346 T CB -0.591 68.236 68.868 -0.069 0.000 0.860 346 T HN 0.432 nan 8.240 nan 0.000 0.449 347 A N 0.940 123.764 122.820 0.006 0.000 2.024 347 A HA -0.198 4.121 4.320 -0.000 0.000 0.220 347 A C 2.062 179.627 177.584 -0.032 0.000 1.164 347 A CA 1.440 53.552 52.037 0.125 0.000 0.643 347 A CB -0.721 18.408 19.000 0.214 0.000 0.806 347 A HN 0.629 nan 8.150 nan 0.000 0.451 348 H N -0.614 118.287 119.070 -0.282 0.000 2.268 348 H HA -0.089 4.466 4.556 -0.000 0.000 0.304 348 H C 2.295 177.391 175.328 -0.386 0.000 1.064 348 H CA 1.993 57.773 56.048 -0.447 0.000 1.316 348 H CB -0.201 28.990 29.762 -0.951 0.000 1.386 348 H HN 0.309 nan 8.280 nan 0.000 0.496 349 V N 1.077 120.815 119.914 -0.293 0.000 2.469 349 V HA -0.287 3.833 4.120 -0.000 0.000 0.251 349 V C 2.569 178.616 176.094 -0.078 0.000 1.064 349 V CA 1.840 64.028 62.300 -0.188 0.000 1.066 349 V CB -0.634 31.124 31.823 -0.109 0.000 0.667 349 V HN 0.261 nan 8.190 nan 0.000 0.461 350 M N -0.385 119.201 119.600 -0.024 0.000 2.159 350 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 350 M C 1.900 178.304 176.300 0.173 0.000 1.063 350 M CA 1.819 57.172 55.300 0.088 0.000 1.110 350 M CB -0.420 32.252 32.600 0.120 0.000 1.374 350 M HN 0.256 nan 8.290 nan 0.000 0.411 351 L N -1.256 120.032 121.223 0.109 0.000 2.418 351 L HA 0.075 4.415 4.340 -0.000 0.000 0.218 351 L C 2.004 178.831 176.870 -0.071 0.000 1.125 351 L CA 0.813 55.669 54.840 0.027 0.000 0.835 351 L CB -0.619 41.415 42.059 -0.041 0.000 0.953 351 L HN 0.493 nan 8.230 nan 0.000 0.454 352 G N -0.565 108.192 108.800 -0.072 0.000 2.408 352 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 352 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 352 G C 1.398 176.272 174.900 -0.043 0.000 1.156 352 G CA -0.101 44.960 45.100 -0.064 0.000 0.793 352 G HN 0.162 nan 8.290 nan 0.000 0.535 353 R N 0.613 121.087 120.500 -0.044 0.000 2.313 353 R HA 0.129 4.468 4.340 -0.000 0.000 0.199 353 R C 1.851 178.125 176.300 -0.044 0.000 0.958 353 R CA -0.035 56.039 56.100 -0.043 0.000 1.047 353 R CB -0.131 30.142 30.300 -0.045 0.000 0.955 353 R HN 0.318 nan 8.270 nan 0.000 0.481 354 Q N 0.017 119.786 119.800 -0.051 0.000 2.515 354 Q HA -0.061 4.279 4.340 -0.000 0.000 0.215 354 Q C 1.645 177.614 176.000 -0.050 0.000 0.983 354 Q CA 1.340 57.096 55.803 -0.078 0.000 0.905 354 Q CB -0.227 28.404 28.738 -0.179 0.000 0.961 354 Q HN 0.448 nan 8.270 nan 0.000 0.503 355 G N -0.476 108.311 108.800 -0.021 0.000 2.744 355 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.211 355 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.211 355 G C -0.159 174.780 174.900 0.064 0.000 1.146 355 G CA 0.133 45.243 45.100 0.018 0.000 0.787 355 G HN 0.217 nan 8.290 nan 0.000 0.534 356 D N -1.422 118.985 120.400 0.011 0.000 2.684 356 D HA 0.217 4.856 4.640 -0.000 0.000 0.233 356 D C -2.156 174.061 176.300 -0.138 0.000 1.374 356 D CA -0.928 53.066 54.000 -0.009 0.000 0.906 356 D CB 1.317 42.167 40.800 0.082 0.000 1.526 356 D HN -0.056 nan 8.370 nan 0.000 0.518 357 P HA -0.039 nan 4.420 nan 0.000 0.215 357 P C 1.065 178.165 177.300 -0.332 0.000 1.157 357 P CA 0.971 63.859 63.100 -0.353 0.000 0.856 357 P CB 0.168 31.587 31.700 -0.470 0.000 0.786 358 H N -1.335 117.701 119.070 -0.058 0.000 2.548 358 H HA 0.292 4.848 4.556 -0.000 0.000 0.268 358 H C 1.123 176.387 175.328 -0.107 0.000 0.975 358 H CA 0.801 56.800 56.048 -0.080 0.000 1.195 358 H CB -0.807 28.906 29.762 -0.082 0.000 1.397 358 H HN 0.132 nan 8.280 nan 0.000 0.572 359 G N 2.148 110.860 108.800 -0.146 0.000 2.370 359 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.295 359 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.295 359 G C 0.724 175.500 174.900 -0.206 0.000 1.045 359 G CA 0.458 45.479 45.100 -0.132 0.000 1.199 359 G HN 0.456 nan 8.290 nan 0.000 0.513 360 K N -0.732 119.373 120.400 -0.491 0.000 2.314 360 K HA 0.229 4.549 4.320 -0.000 0.000 0.198 360 K C 1.496 177.777 176.600 -0.532 0.000 1.045 360 K CA 0.907 56.819 56.287 -0.624 0.000 0.988 360 K CB 0.122 32.009 32.500 -1.022 0.000 0.783 360 K HN 0.450 nan 8.250 nan 0.000 0.484 361 F N 0.768 120.719 119.950 0.001 0.000 2.678 361 F HA 0.119 4.645 4.527 -0.000 0.000 0.291 361 F C 0.321 176.118 175.800 -0.006 0.000 1.123 361 F CA -0.611 57.386 58.000 -0.005 0.000 1.395 361 F CB -0.835 38.155 39.000 -0.016 0.000 1.121 361 F HN 0.062 nan 8.300 nan 0.000 0.592 362 N N 0.779 119.550 118.700 0.119 0.000 2.681 362 N HA -0.216 4.523 4.740 -0.000 0.000 0.259 362 N C -1.067 174.483 175.510 0.066 0.000 1.066 362 N CA -0.003 53.096 53.050 0.082 0.000 0.717 362 N CB -1.257 37.278 38.487 0.080 0.000 0.885 362 N HN 0.127 nan 8.380 nan 0.000 0.547 363 L N 1.275 122.524 121.223 0.042 0.000 2.375 363 L HA 0.734 5.074 4.340 -0.000 0.000 0.268 363 L C -1.358 175.408 176.870 -0.172 0.000 1.058 363 L CA -1.706 53.113 54.840 -0.035 0.000 0.803 363 L CB 0.645 42.718 42.059 0.024 0.000 1.212 363 L HN 0.319 nan 8.230 nan 0.000 0.451 364 P HA 0.379 nan 4.420 nan 0.000 0.289 364 P C -2.774 174.148 177.300 -0.629 0.000 1.299 364 P CA -1.426 61.175 63.100 -0.833 0.000 0.766 364 P CB -0.402 30.495 31.700 -1.338 0.000 1.226 365 P HA 0.219 nan 4.420 nan 0.000 0.272 365 P C 0.166 177.452 177.300 -0.023 0.000 1.254 365 P CA 0.133 62.999 63.100 -0.390 0.000 0.795 365 P CB -0.061 31.347 31.700 -0.487 0.000 1.022 366 G N -1.182 107.657 108.800 0.064 0.000 2.537 366 G HA2 0.359 4.319 3.960 -0.000 0.000 0.323 366 G HA3 0.359 4.319 3.960 -0.000 0.000 0.323 366 G C 0.900 175.995 174.900 0.325 0.000 1.207 366 G CA -0.472 44.796 45.100 0.281 0.000 0.976 366 G HN 0.445 nan 8.290 nan 0.000 0.487 367 V N 0.556 120.645 119.914 0.292 0.000 2.363 367 V HA -0.253 3.866 4.120 -0.000 0.000 0.254 367 V C 2.285 178.414 176.094 0.058 0.000 1.074 367 V CA 3.012 65.333 62.300 0.034 0.000 1.069 367 V CB -0.450 31.342 31.823 -0.051 0.000 0.659 367 V HN 0.607 nan 8.190 nan 0.000 0.455 368 M N 0.518 120.132 119.600 0.024 0.000 2.558 368 M HA 0.126 4.606 4.480 -0.000 0.000 0.255 368 M C 1.329 177.629 176.300 -0.000 0.000 1.113 368 M CA 1.214 56.506 55.300 -0.012 0.000 1.097 368 M CB -0.298 32.217 32.600 -0.142 0.000 1.426 368 M HN 0.568 nan 8.290 nan 0.000 0.488 369 E N 0.138 120.281 120.200 -0.095 0.000 2.338 369 E HA 0.125 4.475 4.350 -0.000 0.000 0.231 369 E C -0.817 175.641 176.600 -0.237 0.000 1.231 369 E CA 0.006 56.238 56.400 -0.279 0.000 1.490 369 E CB -0.163 29.351 29.700 -0.310 0.000 1.360 369 E HN 0.402 nan 8.360 nan 0.000 0.435 370 H N -0.765 118.384 119.070 0.132 0.000 3.151 370 H HA 0.049 4.605 4.556 -0.000 0.000 0.333 370 H C 0.011 175.380 175.328 0.069 0.000 1.093 370 H CA -0.787 55.311 56.048 0.084 0.000 1.342 370 H CB 0.490 30.305 29.762 0.087 0.000 1.983 370 H HN -0.005 nan 8.280 nan 0.000 0.503 371 F N 1.362 121.406 119.950 0.158 0.000 2.234 371 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 371 F C 2.357 178.034 175.800 -0.206 0.000 1.087 371 F CA 1.170 59.079 58.000 -0.153 0.000 1.340 371 F CB 0.018 38.876 39.000 -0.236 0.000 1.031 371 F HN 0.581 nan 8.300 nan 0.000 0.500 372 E N -1.631 118.586 120.200 0.028 0.000 2.494 372 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 372 E C 0.714 176.995 176.600 -0.532 0.000 1.074 372 E CA 0.821 57.041 56.400 -0.299 0.000 0.867 372 E CB -0.313 29.159 29.700 -0.380 0.000 0.924 372 E HN 0.224 nan 8.360 nan 0.000 0.502 373 T N -0.695 113.706 114.554 -0.255 0.000 3.252 373 T HA 0.312 4.662 4.350 -0.000 0.000 0.295 373 T C 1.204 175.797 174.700 -0.179 0.000 0.897 373 T CA 0.320 62.250 62.100 -0.283 0.000 0.905 373 T CB 0.619 69.277 68.868 -0.349 0.000 1.202 373 T HN 0.269 nan 8.240 nan 0.000 0.592 374 A N 0.705 123.458 122.820 -0.111 0.000 1.929 374 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 374 A C 2.195 179.510 177.584 -0.448 0.000 1.176 374 A CA 1.665 53.622 52.037 -0.133 0.000 0.628 374 A CB -0.991 18.101 19.000 0.153 0.000 0.816 374 A HN 0.367 nan 8.150 nan 0.000 0.444 375 T N -0.572 113.585 114.554 -0.662 0.000 3.026 375 T HA -0.128 4.222 4.350 -0.000 0.000 0.271 375 T C 1.907 176.462 174.700 -0.242 0.000 1.149 375 T CA 1.541 63.195 62.100 -0.743 0.000 1.088 375 T CB -0.326 68.246 68.868 -0.493 0.000 0.857 375 T HN 0.453 nan 8.240 nan 0.000 0.551 376 R N 1.463 121.850 120.500 -0.188 0.000 2.064 376 R HA -0.002 4.338 4.340 -0.000 0.000 0.228 376 R C 0.791 177.047 176.300 -0.074 0.000 1.144 376 R CA 1.052 57.147 56.100 -0.008 0.000 0.932 376 R CB -0.309 30.026 30.300 0.060 0.000 0.833 376 R HN 0.282 nan 8.270 nan 0.000 0.429 377 D N -0.277 119.847 120.400 -0.461 0.000 2.383 377 D HA 0.029 4.669 4.640 -0.000 0.000 0.252 377 D C -1.773 174.166 176.300 -0.601 0.000 1.166 377 D CA -1.723 51.515 54.000 -1.270 0.000 0.879 377 D CB 1.265 41.512 40.800 -0.922 0.000 1.164 377 D HN -0.080 nan 8.370 nan 0.000 0.462 378 P HA -0.189 nan 4.420 nan 0.000 0.216 378 P C 1.108 178.344 177.300 -0.108 0.000 1.150 378 P CA 1.350 64.352 63.100 -0.163 0.000 0.843 378 P CB -0.068 31.570 31.700 -0.103 0.000 0.787 379 S N -1.907 113.665 115.700 -0.213 0.000 2.547 379 S HA -0.152 4.318 4.470 -0.000 0.000 0.235 379 S C 1.739 176.211 174.600 -0.214 0.000 0.980 379 S CA 0.213 58.299 58.200 -0.189 0.000 0.941 379 S CB -1.718 61.349 63.200 -0.223 0.000 0.763 379 S HN 0.072 nan 8.310 nan 0.000 0.532 380 F N 2.288 122.028 119.950 -0.350 0.000 2.065 380 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 380 F C 1.541 177.069 175.800 -0.452 0.000 1.112 380 F CA 1.538 59.256 58.000 -0.470 0.000 1.212 380 F CB -0.510 38.070 39.000 -0.701 0.000 0.975 380 F HN 0.215 nan 8.300 nan 0.000 0.476 381 F N -0.017 119.784 119.950 -0.249 0.000 2.456 381 F HA 0.065 4.592 4.527 -0.000 0.000 0.298 381 F C 2.479 178.182 175.800 -0.161 0.000 1.104 381 F CA 0.877 58.698 58.000 -0.298 0.000 1.435 381 F CB -0.685 37.976 39.000 -0.566 0.000 1.078 381 F HN -0.161 nan 8.300 nan 0.000 0.546 382 R N 0.131 120.607 120.500 -0.039 0.000 2.073 382 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 382 R C 2.133 178.336 176.300 -0.161 0.000 1.120 382 R CA 0.874 56.931 56.100 -0.072 0.000 0.967 382 R CB -0.508 29.732 30.300 -0.099 0.000 0.862 382 R HN 0.261 nan 8.270 nan 0.000 0.436 383 L N -0.231 120.833 121.223 -0.265 0.000 2.201 383 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 383 L C 1.089 177.795 176.870 -0.274 0.000 1.105 383 L CA 1.922 56.556 54.840 -0.343 0.000 0.775 383 L CB -0.177 41.623 42.059 -0.431 0.000 0.913 383 L HN 0.198 nan 8.230 nan 0.000 0.440 384 H N -1.502 117.387 119.070 -0.301 0.000 2.563 384 H HA 0.083 4.639 4.556 -0.000 0.000 0.264 384 H C 2.006 177.349 175.328 0.026 0.000 0.957 384 H CA 0.773 56.720 56.048 -0.169 0.000 1.173 384 H CB 0.182 29.735 29.762 -0.349 0.000 1.420 384 H HN 0.309 nan 8.280 nan 0.000 0.551 385 K N 0.030 120.506 120.400 0.128 0.000 2.031 385 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 385 K C 1.842 178.535 176.600 0.155 0.000 1.049 385 K CA 0.964 57.350 56.287 0.166 0.000 0.939 385 K CB -0.178 32.406 32.500 0.140 0.000 0.717 385 K HN 0.257 nan 8.250 nan 0.000 0.438 386 Y N 1.198 121.464 120.300 -0.056 0.000 2.030 386 Y HA -0.337 4.213 4.550 -0.000 0.000 0.274 386 Y C 1.983 177.860 175.900 -0.039 0.000 1.153 386 Y CA 2.301 60.347 58.100 -0.090 0.000 1.115 386 Y CB -0.282 38.056 38.460 -0.204 0.000 0.969 386 Y HN 0.030 nan 8.280 nan 0.000 0.488 387 M N -0.019 119.613 119.600 0.054 0.000 2.082 387 M HA -0.269 4.210 4.480 -0.000 0.000 0.258 387 M C 1.938 178.303 176.300 0.108 0.000 1.069 387 M CA 2.189 57.467 55.300 -0.036 0.000 1.102 387 M CB -0.706 31.965 32.600 0.118 0.000 1.336 387 M HN 0.373 nan 8.290 nan 0.000 0.404 388 D N 0.944 121.506 120.400 0.269 0.000 2.127 388 D HA -0.181 4.459 4.640 -0.000 0.000 0.190 388 D C 0.981 177.509 176.300 0.379 0.000 1.000 388 D CA 1.629 55.908 54.000 0.464 0.000 0.839 388 D CB -0.346 40.725 40.800 0.451 0.000 0.955 388 D HN 0.473 nan 8.370 nan 0.000 0.446 389 N N -0.370 118.420 118.700 0.150 0.000 2.501 389 N HA -0.005 4.734 4.740 -0.000 0.000 0.195 389 N C 0.993 176.422 175.510 -0.134 0.000 1.213 389 N CA -0.211 52.833 53.050 -0.010 0.000 0.864 389 N CB 0.440 38.898 38.487 -0.048 0.000 0.999 389 N HN 0.249 nan 8.380 nan 0.000 0.454 390 I N -0.298 120.144 120.570 -0.213 0.000 2.494 390 I HA -0.048 4.121 4.170 -0.000 0.000 0.250 390 I C 1.439 177.341 176.117 -0.358 0.000 1.112 390 I CA 0.868 61.889 61.300 -0.465 0.000 1.438 390 I CB -0.814 36.754 38.000 -0.720 0.000 1.111 390 I HN 0.070 nan 8.210 nan 0.000 0.431 391 F N 1.655 121.527 119.950 -0.129 0.000 2.084 391 F HA -0.132 4.395 4.527 -0.000 0.000 0.296 391 F C 2.599 178.272 175.800 -0.211 0.000 1.111 391 F CA 1.405 59.317 58.000 -0.147 0.000 1.224 391 F CB -0.785 38.176 39.000 -0.065 0.000 0.991 391 F HN -0.025 nan 8.300 nan 0.000 0.471 392 K N 0.722 121.115 120.400 -0.011 0.000 2.173 392 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 392 K C 2.028 178.403 176.600 -0.375 0.000 1.046 392 K CA 1.451 57.476 56.287 -0.436 0.000 0.929 392 K CB -0.108 31.948 32.500 -0.741 0.000 0.720 392 K HN 0.170 nan 8.250 nan 0.000 0.453 393 K N -0.775 119.477 120.400 -0.247 0.000 2.147 393 K HA -0.212 4.108 4.320 -0.000 0.000 0.205 393 K C 2.038 178.496 176.600 -0.236 0.000 1.049 393 K CA 1.705 57.864 56.287 -0.214 0.000 0.936 393 K CB -0.180 32.244 32.500 -0.126 0.000 0.722 393 K HN 0.394 nan 8.250 nan 0.000 0.446 394 H N -0.104 118.772 119.070 -0.323 0.000 2.370 394 H HA 0.034 4.590 4.556 -0.000 0.000 0.304 394 H C 1.954 176.929 175.328 -0.588 0.000 1.055 394 H CA 1.579 57.389 56.048 -0.398 0.000 1.373 394 H CB 0.026 29.613 29.762 -0.292 0.000 1.423 394 H HN -0.097 nan 8.280 nan 0.000 0.533 395 T N 0.057 114.364 114.554 -0.411 0.000 2.737 395 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 395 T C 1.046 175.450 174.700 -0.494 0.000 1.040 395 T CA 1.882 63.732 62.100 -0.416 0.000 1.142 395 T CB -0.365 68.366 68.868 -0.228 0.000 0.861 395 T HN 0.387 nan 8.240 nan 0.000 0.456 396 D N 0.176 120.284 120.400 -0.487 0.000 2.355 396 D HA 0.052 4.691 4.640 -0.000 0.000 0.218 396 D C 2.103 178.171 176.300 -0.388 0.000 1.004 396 D CA 0.370 54.130 54.000 -0.401 0.000 0.880 396 D CB -0.078 40.494 40.800 -0.381 0.000 0.911 396 D HN 0.461 nan 8.370 nan 0.000 0.528 397 S N -0.637 114.725 115.700 -0.562 0.000 2.527 397 S HA 0.016 4.486 4.470 -0.000 0.000 0.222 397 S C 0.591 175.041 174.600 -0.250 0.000 0.985 397 S CA -0.267 57.671 58.200 -0.437 0.000 0.921 397 S CB -0.306 62.587 63.200 -0.513 0.000 0.772 397 S HN -0.116 nan 8.310 nan 0.000 0.529 398 F N 3.666 123.466 119.950 -0.250 0.000 2.382 398 F HA 0.515 5.042 4.527 -0.000 0.000 0.331 398 F C -2.010 173.662 175.800 -0.212 0.000 1.121 398 F CA -3.359 54.503 58.000 -0.230 0.000 1.183 398 F CB -0.208 38.637 39.000 -0.258 0.000 1.207 398 F HN 0.015 nan 8.300 nan 0.000 0.555 399 P HA 0.179 nan 4.420 nan 0.000 0.271 399 P C -2.651 174.579 177.300 -0.116 0.000 1.216 399 P CA -1.158 61.919 63.100 -0.039 0.000 0.776 399 P CB 0.188 31.869 31.700 -0.032 0.000 0.881 400 P HA 0.022 nan 4.420 nan 0.000 0.272 400 P C -0.577 176.668 177.300 -0.091 0.000 1.243 400 P CA 0.419 63.454 63.100 -0.109 0.000 0.803 400 P CB 0.054 31.735 31.700 -0.033 0.000 0.974 401 Y N -0.880 119.418 120.300 -0.004 0.000 2.310 401 Y HA 0.297 4.846 4.550 -0.000 0.000 0.326 401 Y C 1.527 177.433 175.900 0.011 0.000 1.151 401 Y CA -0.270 57.827 58.100 -0.004 0.000 1.195 401 Y CB 0.169 38.605 38.460 -0.040 0.000 1.210 401 Y HN 0.284 nan 8.280 nan 0.000 0.483 402 T N -1.090 113.592 114.554 0.214 0.000 2.788 402 T HA 0.044 4.394 4.350 -0.000 0.000 0.280 402 T C 1.288 176.069 174.700 0.135 0.000 0.984 402 T CA -0.170 62.020 62.100 0.150 0.000 0.972 402 T CB 0.672 69.618 68.868 0.130 0.000 1.039 402 T HN 0.839 nan 8.240 nan 0.000 0.530 403 H N 0.494 119.604 119.070 0.066 0.000 2.256 403 H HA -0.108 4.447 4.556 -0.000 0.000 0.299 403 H C 1.476 176.835 175.328 0.051 0.000 1.071 403 H CA 2.354 58.435 56.048 0.054 0.000 1.280 403 H CB -0.531 29.258 29.762 0.045 0.000 1.370 403 H HN 0.760 nan 8.280 nan 0.000 0.490 404 D N 0.166 120.708 120.400 0.237 0.000 2.315 404 D HA -0.147 4.493 4.640 -0.000 0.000 0.211 404 D C 1.672 178.002 176.300 0.049 0.000 0.977 404 D CA 0.662 54.758 54.000 0.160 0.000 0.894 404 D CB -0.168 40.729 40.800 0.161 0.000 0.910 404 D HN 0.582 nan 8.370 nan 0.000 0.490 405 N N -0.188 118.533 118.700 0.034 0.000 2.148 405 N HA -0.019 4.721 4.740 -0.000 0.000 0.186 405 N C 1.943 177.411 175.510 -0.070 0.000 1.031 405 N CA 0.405 53.467 53.050 0.020 0.000 0.848 405 N CB 0.211 38.767 38.487 0.116 0.000 1.005 405 N HN 0.072 nan 8.380 nan 0.000 0.427 406 L N 0.517 121.659 121.223 -0.135 0.000 2.270 406 L HA 0.061 4.401 4.340 -0.000 0.000 0.210 406 L C 0.555 177.380 176.870 -0.076 0.000 1.104 406 L CA 0.188 54.942 54.840 -0.143 0.000 0.804 406 L CB -0.206 41.744 42.059 -0.181 0.000 0.937 406 L HN 0.126 nan 8.230 nan 0.000 0.450 407 E N 1.113 121.232 120.200 -0.134 0.000 2.493 407 E HA -0.118 4.232 4.350 -0.000 0.000 0.255 407 E C -0.606 176.049 176.600 0.090 0.000 0.999 407 E CA 0.108 56.466 56.400 -0.070 0.000 0.934 407 E CB 0.239 29.845 29.700 -0.157 0.000 0.940 407 E HN 0.027 nan 8.360 nan 0.000 0.473 408 F N 5.236 125.151 119.950 -0.059 0.000 2.366 408 F HA 0.302 4.828 4.527 -0.000 0.000 0.328 408 F C -0.119 175.664 175.800 -0.028 0.000 1.180 408 F CA -1.065 56.907 58.000 -0.046 0.000 1.232 408 F CB -0.118 38.845 39.000 -0.063 0.000 1.513 408 F HN 0.314 nan 8.300 nan 0.000 0.540 409 S N 2.877 118.598 115.700 0.035 0.000 2.810 409 S HA 0.365 4.835 4.470 -0.000 0.000 0.329 409 S C 1.064 175.546 174.600 -0.197 0.000 1.231 409 S CA 1.531 59.703 58.200 -0.047 0.000 1.042 409 S CB -0.398 62.808 63.200 0.010 0.000 0.756 409 S HN 1.503 nan 8.310 nan 0.000 0.504 410 G N 5.219 113.914 108.800 -0.176 0.000 3.355 410 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.247 410 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.247 410 G C -0.002 174.748 174.900 -0.250 0.000 1.818 410 G CA -0.142 44.833 45.100 -0.208 0.000 1.309 410 G HN 0.887 nan 8.290 nan 0.000 0.546 411 M N 1.081 120.409 119.600 -0.454 0.000 2.234 411 M HA 0.353 4.832 4.480 -0.000 0.000 0.409 411 M C 0.236 176.433 176.300 -0.171 0.000 1.378 411 M CA 1.279 56.350 55.300 -0.382 0.000 0.815 411 M CB 0.293 32.455 32.600 -0.729 0.000 1.971 411 M HN 1.429 nan 8.290 nan 0.000 0.506 412 V N 6.166 126.037 119.914 -0.072 0.000 2.610 412 V HA 0.487 4.607 4.120 -0.000 0.000 0.298 412 V C -0.992 175.116 176.094 0.023 0.000 1.067 412 V CA -0.907 61.385 62.300 -0.014 0.000 0.894 412 V CB 1.949 33.763 31.823 -0.015 0.000 1.015 412 V HN 0.495 nan 8.190 nan 0.000 0.432 413 V N 8.014 127.954 119.914 0.044 0.000 2.521 413 V HA 0.233 4.353 4.120 -0.000 0.000 0.286 413 V C 1.300 177.420 176.094 0.042 0.000 1.034 413 V CA 0.235 62.575 62.300 0.065 0.000 1.045 413 V CB 0.860 32.732 31.823 0.081 0.000 0.974 413 V HN 0.980 nan 8.190 nan 0.000 0.480 414 N N 3.360 122.087 118.700 0.045 0.000 2.258 414 N HA 0.124 4.864 4.740 -0.000 0.000 0.183 414 N C 0.624 176.149 175.510 0.025 0.000 1.029 414 N CA 1.084 54.151 53.050 0.030 0.000 0.857 414 N CB 0.535 39.040 38.487 0.030 0.000 1.008 414 N HN 0.749 nan 8.380 nan 0.000 0.433 415 G N -0.089 108.734 108.800 0.038 0.000 2.692 415 G HA2 0.492 4.452 3.960 -0.000 0.000 0.291 415 G HA3 0.492 4.452 3.960 -0.000 0.000 0.291 415 G C -1.913 173.020 174.900 0.054 0.000 1.423 415 G CA -0.321 44.799 45.100 0.034 0.000 0.843 415 G HN 0.040 nan 8.290 nan 0.000 0.486 416 V N -0.372 119.573 119.914 0.053 0.000 2.686 416 V HA 0.930 5.049 4.120 -0.000 0.000 0.306 416 V C -0.637 175.511 176.094 0.090 0.000 1.065 416 V CA 0.129 62.476 62.300 0.079 0.000 0.894 416 V CB 1.253 33.116 31.823 0.067 0.000 1.004 416 V HN 2.097 nan 8.190 nan 0.000 0.424 417 A N 6.128 129.025 122.820 0.128 0.000 2.549 417 A HA 0.874 5.193 4.320 -0.000 0.000 0.297 417 A C -1.606 176.090 177.584 0.187 0.000 1.061 417 A CA -0.569 51.545 52.037 0.129 0.000 0.690 417 A CB 1.650 20.702 19.000 0.087 0.000 1.287 417 A HN 0.863 nan 8.150 nan 0.000 0.402 418 I N 2.002 122.674 120.570 0.170 0.000 2.331 418 I HA 0.278 4.448 4.170 -0.000 0.000 0.292 418 I C -0.122 176.063 176.117 0.113 0.000 0.998 418 I CA 0.014 61.425 61.300 0.185 0.000 1.267 418 I CB 1.524 39.620 38.000 0.159 0.000 1.386 418 I HN 0.594 nan 8.210 nan 0.000 0.476 419 D N 6.439 126.900 120.400 0.102 0.000 2.514 419 D HA 0.509 5.148 4.640 -0.000 0.000 0.267 419 D C 0.040 176.381 176.300 0.067 0.000 1.165 419 D CA -0.014 54.023 54.000 0.062 0.000 0.958 419 D CB 0.434 41.256 40.800 0.036 0.000 0.992 419 D HN 0.714 nan 8.370 nan 0.000 0.506 420 G N 1.729 110.575 108.800 0.078 0.000 2.825 420 G HA2 0.179 4.138 3.960 -0.000 0.000 0.100 420 G HA3 0.179 4.138 3.960 -0.000 0.000 0.100 420 G C -1.159 173.771 174.900 0.050 0.000 1.195 420 G CA -0.327 44.824 45.100 0.084 0.000 1.317 420 G HN 0.207 nan 8.290 nan 0.000 0.632 421 E N -0.372 119.848 120.200 0.033 0.000 2.422 421 E HA 0.312 4.662 4.350 -0.000 0.000 0.289 421 E C -1.478 175.075 176.600 -0.079 0.000 0.985 421 E CA -0.418 55.974 56.400 -0.013 0.000 0.812 421 E CB 2.032 31.739 29.700 0.012 0.000 1.226 421 E HN 0.383 nan 8.360 nan 0.000 0.419 422 L N 4.023 125.155 121.223 -0.151 0.000 2.259 422 L HA 0.543 4.883 4.340 -0.000 0.000 0.288 422 L C 0.008 176.769 176.870 -0.181 0.000 1.051 422 L CA -0.369 54.308 54.840 -0.271 0.000 0.824 422 L CB 0.426 42.274 42.059 -0.351 0.000 1.206 422 L HN 0.364 nan 8.230 nan 0.000 0.429 423 I N 3.117 123.599 120.570 -0.146 0.000 2.571 423 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 423 I C -0.271 175.796 176.117 -0.083 0.000 1.115 423 I CA 0.029 61.239 61.300 -0.150 0.000 1.045 423 I CB 2.375 40.239 38.000 -0.228 0.000 1.238 423 I HN 0.533 nan 8.210 nan 0.000 0.424 424 T N 4.316 118.802 114.554 -0.114 0.000 2.824 424 T HA 0.757 5.107 4.350 -0.000 0.000 0.282 424 T C -0.589 174.098 174.700 -0.022 0.000 0.993 424 T CA -0.483 61.478 62.100 -0.233 0.000 0.967 424 T CB 1.184 69.870 68.868 -0.303 0.000 0.960 424 T HN 0.417 nan 8.240 nan 0.000 0.441 425 F N -0.153 119.753 119.950 -0.073 0.000 2.849 425 F HA 0.895 5.422 4.527 -0.000 0.000 0.341 425 F C -1.721 173.957 175.800 -0.203 0.000 1.185 425 F CA -2.485 55.474 58.000 -0.068 0.000 1.007 425 F CB 0.895 39.891 39.000 -0.006 0.000 1.454 425 F HN 0.381 nan 8.300 nan 0.000 0.518 426 F N 1.820 122.036 119.950 0.443 0.000 2.359 426 F HA 0.365 4.892 4.527 -0.000 0.000 0.369 426 F C 0.261 176.240 175.800 0.298 0.000 1.084 426 F CA -0.888 57.253 58.000 0.235 0.000 1.096 426 F CB 0.098 39.110 39.000 0.020 0.000 1.335 426 F HN 0.443 nan 8.300 nan 0.000 0.457 427 D N 1.708 122.453 120.400 0.575 0.000 2.223 427 D HA 0.128 4.768 4.640 -0.000 0.000 0.250 427 D C -0.384 176.171 176.300 0.425 0.000 1.287 427 D CA 0.438 54.715 54.000 0.462 0.000 0.977 427 D CB 0.558 41.604 40.800 0.410 0.000 1.177 427 D HN 0.532 nan 8.370 nan 0.000 0.536 428 E N -0.799 119.611 120.200 0.349 0.000 2.304 428 E HA 0.346 4.696 4.350 -0.000 0.000 0.277 428 E C -1.647 175.133 176.600 0.300 0.000 0.898 428 E CA -0.567 56.018 56.400 0.308 0.000 0.764 428 E CB 1.462 31.284 29.700 0.202 0.000 1.216 428 E HN 0.198 nan 8.360 nan 0.000 0.419 429 F N 1.878 121.885 119.950 0.095 0.000 2.593 429 F HA 0.480 5.007 4.527 -0.000 0.000 0.320 429 F C -1.026 174.807 175.800 0.055 0.000 1.060 429 F CA -0.350 57.699 58.000 0.081 0.000 0.940 429 F CB 2.048 41.104 39.000 0.093 0.000 1.268 429 F HN 0.340 nan 8.300 nan 0.000 0.475 430 Q N 3.825 123.348 119.800 -0.462 0.000 2.274 430 Q HA 0.322 4.662 4.340 -0.000 0.000 0.268 430 Q C -1.790 174.061 176.000 -0.248 0.000 1.015 430 Q CA -0.827 54.807 55.803 -0.280 0.000 0.775 430 Q CB 2.266 30.850 28.738 -0.256 0.000 1.256 430 Q HN 0.646 nan 8.270 nan 0.000 0.442 431 Y N -0.563 119.712 120.300 -0.041 0.000 2.621 431 Y HA 0.796 5.346 4.550 -0.000 0.000 0.334 431 Y C -0.554 175.408 175.900 0.103 0.000 1.074 431 Y CA -1.300 56.875 58.100 0.125 0.000 1.149 431 Y CB 1.576 40.250 38.460 0.358 0.000 1.302 431 Y HN 0.349 nan 8.280 nan 0.000 0.501 432 S N 1.288 117.107 115.700 0.199 0.000 2.437 432 S HA 0.400 4.870 4.470 -0.000 0.000 0.305 432 S C 0.004 174.701 174.600 0.161 0.000 1.109 432 S CA -0.844 57.409 58.200 0.089 0.000 1.099 432 S CB 0.277 63.547 63.200 0.116 0.000 1.004 432 S HN 0.812 nan 8.310 nan 0.000 0.475 433 L N 5.851 127.116 121.223 0.070 0.000 2.713 433 L HA 0.173 4.513 4.340 -0.000 0.000 0.245 433 L C 1.325 178.295 176.870 0.166 0.000 1.169 433 L CA 0.166 55.076 54.840 0.117 0.000 0.962 433 L CB -0.465 41.635 42.059 0.068 0.000 1.161 433 L HN 0.758 nan 8.230 nan 0.000 0.427 434 I N -0.261 120.419 120.570 0.184 0.000 2.286 434 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 434 I C 1.715 177.984 176.117 0.253 0.000 1.104 434 I CA 1.007 62.426 61.300 0.199 0.000 1.397 434 I CB -0.071 38.032 38.000 0.172 0.000 1.072 434 I HN 0.348 nan 8.210 nan 0.000 0.417 435 N N 1.029 119.907 118.700 0.297 0.000 2.519 435 N HA -0.084 4.655 4.740 -0.000 0.000 0.186 435 N C 1.610 177.405 175.510 0.474 0.000 1.062 435 N CA 1.017 54.286 53.050 0.365 0.000 0.910 435 N CB -0.098 38.590 38.487 0.335 0.000 0.958 435 N HN 0.339 nan 8.380 nan 0.000 0.445 436 A N -0.019 123.028 122.820 0.378 0.000 1.930 436 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 436 A C 0.921 178.751 177.584 0.411 0.000 1.176 436 A CA 0.592 52.859 52.037 0.383 0.000 0.632 436 A CB -0.400 18.710 19.000 0.182 0.000 0.819 436 A HN 0.121 nan 8.150 nan 0.000 0.445 437 V N 0.177 120.294 119.914 0.338 0.000 2.509 437 V HA 0.527 4.647 4.120 -0.000 0.000 0.284 437 V C -1.244 174.943 176.094 0.155 0.000 1.047 437 V CA -0.969 61.489 62.300 0.263 0.000 0.952 437 V CB 0.953 32.939 31.823 0.270 0.000 0.988 437 V HN 0.453 nan 8.190 nan 0.000 0.469 438 D N 3.445 123.874 120.400 0.049 0.000 2.264 438 D HA 0.493 5.133 4.640 -0.000 0.000 0.250 438 D C -0.199 176.137 176.300 0.060 0.000 1.113 438 D CA -0.207 53.837 54.000 0.072 0.000 0.871 438 D CB 1.564 42.396 40.800 0.054 0.000 1.167 438 D HN 0.657 nan 8.370 nan 0.000 0.447 439 S N 1.323 117.071 115.700 0.081 0.000 2.596 439 S HA 0.595 5.065 4.470 -0.000 0.000 0.318 439 S C 0.700 175.333 174.600 0.054 0.000 1.097 439 S CA -0.610 57.627 58.200 0.062 0.000 1.080 439 S CB 0.713 63.954 63.200 0.068 0.000 0.991 439 S HN 0.576 nan 8.310 nan 0.000 0.471 440 G N 3.452 112.275 108.800 0.037 0.000 2.948 440 G HA2 0.370 4.330 3.960 -0.000 0.000 0.174 440 G HA3 0.370 4.330 3.960 -0.000 0.000 0.174 440 G C -0.581 174.331 174.900 0.020 0.000 1.839 440 G CA 0.067 45.185 45.100 0.031 0.000 0.908 440 G HN 0.663 nan 8.290 nan 0.000 0.419 441 E N -0.818 119.388 120.200 0.011 0.000 2.314 441 E HA 0.348 4.698 4.350 -0.000 0.000 0.272 441 E C -0.493 176.107 176.600 -0.000 0.000 0.884 441 E CA -0.735 55.666 56.400 0.001 0.000 0.753 441 E CB 1.816 31.514 29.700 -0.003 0.000 1.213 441 E HN 0.494 nan 8.360 nan 0.000 0.432 442 N N 0.587 119.284 118.700 -0.006 0.000 2.778 442 N HA -0.230 4.509 4.740 -0.000 0.000 0.249 442 N C -0.636 174.873 175.510 -0.001 0.000 1.069 442 N CA 0.417 53.463 53.050 -0.006 0.000 0.831 442 N CB -0.528 37.955 38.487 -0.006 0.000 1.142 442 N HN 0.303 nan 8.380 nan 0.000 0.573 443 I N 1.998 122.570 120.570 0.003 0.000 2.362 443 I HA 0.190 4.359 4.170 -0.000 0.000 0.289 443 I C 0.174 176.296 176.117 0.009 0.000 0.994 443 I CA -0.817 60.489 61.300 0.009 0.000 1.158 443 I CB 1.202 39.210 38.000 0.014 0.000 1.315 443 I HN 0.070 nan 8.210 nan 0.000 0.451 444 E N 5.406 125.612 120.200 0.009 0.000 2.227 444 E HA 0.317 4.667 4.350 -0.000 0.000 0.268 444 E C -1.017 175.593 176.600 0.018 0.000 0.990 444 E CA -0.865 55.540 56.400 0.008 0.000 0.856 444 E CB 0.874 30.574 29.700 0.001 0.000 1.159 444 E HN 0.416 nan 8.360 nan 0.000 0.401 445 D N 1.598 122.009 120.400 0.018 0.000 2.451 445 D HA 0.022 4.662 4.640 -0.000 0.000 0.254 445 D C -0.908 175.408 176.300 0.026 0.000 1.204 445 D CA 0.269 54.286 54.000 0.029 0.000 0.896 445 D CB 1.220 42.036 40.800 0.026 0.000 1.136 445 D HN 0.261 nan 8.370 nan 0.000 0.499 446 V N 3.806 123.742 119.914 0.037 0.000 2.394 446 V HA 0.141 4.261 4.120 -0.000 0.000 0.282 446 V C -0.043 176.072 176.094 0.035 0.000 1.031 446 V CA -0.752 61.567 62.300 0.032 0.000 0.881 446 V CB 1.679 33.528 31.823 0.043 0.000 0.982 446 V HN 0.442 nan 8.190 nan 0.000 0.451 447 E N 6.916 127.124 120.200 0.013 0.000 2.052 447 E HA 0.311 4.661 4.350 -0.000 0.000 0.283 447 E C -0.853 175.734 176.600 -0.021 0.000 1.071 447 E CA -0.348 56.054 56.400 0.004 0.000 0.851 447 E CB 0.567 30.258 29.700 -0.015 0.000 1.066 447 E HN 0.727 nan 8.360 nan 0.000 0.396 448 I N 4.384 124.957 120.570 0.005 0.000 2.359 448 I HA 0.286 4.455 4.170 -0.000 0.000 0.294 448 I C 0.221 176.305 176.117 -0.055 0.000 0.987 448 I CA -0.515 60.776 61.300 -0.015 0.000 1.225 448 I CB 1.427 39.498 38.000 0.119 0.000 1.366 448 I HN 0.458 nan 8.210 nan 0.000 0.466 449 N N 3.401 121.997 118.700 -0.173 0.000 2.312 449 N HA 0.771 5.511 4.740 -0.000 0.000 0.296 449 N C -1.257 174.115 175.510 -0.230 0.000 1.193 449 N CA -0.794 52.140 53.050 -0.193 0.000 0.773 449 N CB 2.392 40.758 38.487 -0.202 0.000 1.435 449 N HN 0.616 nan 8.380 nan 0.000 0.484 450 A N 1.241 123.861 122.820 -0.333 0.000 2.331 450 A HA 0.565 4.885 4.320 -0.000 0.000 0.320 450 A C -0.638 176.730 177.584 -0.361 0.000 1.138 450 A CA -0.487 51.321 52.037 -0.382 0.000 0.790 450 A CB 0.892 19.483 19.000 -0.681 0.000 1.206 450 A HN 0.734 nan 8.150 nan 0.000 0.470 451 R N 1.897 122.283 120.500 -0.189 0.000 2.393 451 R HA 0.611 4.951 4.340 -0.000 0.000 0.315 451 R C -0.908 175.355 176.300 -0.061 0.000 0.952 451 R CA -0.381 55.648 56.100 -0.118 0.000 0.842 451 R CB 1.373 31.591 30.300 -0.138 0.000 1.163 451 R HN 0.849 nan 8.270 nan 0.000 0.450 452 V N 0.576 120.528 119.914 0.065 0.000 2.919 452 V HA 0.504 4.624 4.120 -0.000 0.000 0.316 452 V C -0.762 175.403 176.094 0.118 0.000 1.077 452 V CA -0.751 61.605 62.300 0.094 0.000 0.977 452 V CB 1.835 33.804 31.823 0.242 0.000 1.039 452 V HN 0.888 nan 8.190 nan 0.000 0.441 453 H N 3.633 122.703 119.070 0.000 0.000 2.690 453 H HA 0.546 5.101 4.556 -0.000 0.000 0.280 453 H C -0.027 175.382 175.328 0.135 0.000 1.138 453 H CA -0.764 55.275 56.048 -0.014 0.000 1.241 453 H CB 0.624 30.210 29.762 -0.293 0.000 1.394 453 H HN 0.741 nan 8.280 nan 0.000 0.489 454 R N 3.084 123.823 120.500 0.399 0.000 2.832 454 R HA 0.362 4.702 4.340 -0.000 0.000 0.271 454 R C -0.924 175.711 176.300 0.558 0.000 0.996 454 R CA -1.194 55.163 56.100 0.427 0.000 0.977 454 R CB 1.694 32.112 30.300 0.197 0.000 1.168 454 R HN 0.232 nan 8.270 nan 0.000 0.482 455 L N 0.780 122.280 121.223 0.461 0.000 2.476 455 L HA 0.276 4.616 4.340 -0.000 0.000 0.264 455 L C -0.474 176.286 176.870 -0.184 0.000 1.224 455 L CA 0.678 55.472 54.840 -0.075 0.000 0.821 455 L CB 0.362 42.319 42.059 -0.169 0.000 1.101 455 L HN 0.954 nan 8.230 nan 0.000 0.488 456 N N -1.242 117.143 118.700 -0.524 0.000 3.127 456 N HA 0.429 5.169 4.740 -0.000 0.000 0.239 456 N C -1.909 172.954 175.510 -1.078 0.000 1.407 456 N CA -0.634 51.983 53.050 -0.722 0.000 0.891 456 N CB 0.853 38.965 38.487 -0.625 0.000 1.447 456 N HN 0.847 nan 8.380 nan 0.000 0.507 457 H N -0.923 117.693 119.070 -0.757 0.000 2.906 457 H HA 0.628 5.184 4.556 -0.000 0.000 0.337 457 H C -1.549 173.701 175.328 -0.130 0.000 1.257 457 H CA -0.832 54.935 56.048 -0.468 0.000 1.192 457 H CB 0.802 30.431 29.762 -0.221 0.000 1.912 457 H HN 0.276 nan 8.280 nan 0.000 0.573 458 N N 0.776 119.610 118.700 0.224 0.000 2.392 458 N HA 0.145 4.885 4.740 -0.000 0.000 0.283 458 N C -1.128 174.629 175.510 0.412 0.000 1.003 458 N CA -0.826 52.387 53.050 0.272 0.000 0.892 458 N CB 1.435 40.072 38.487 0.250 0.000 1.193 458 N HN 0.766 nan 8.380 nan 0.000 0.487 459 E N 1.808 122.145 120.200 0.228 0.000 2.568 459 E HA 0.038 4.388 4.350 -0.000 0.000 0.262 459 E C -0.824 175.900 176.600 0.206 0.000 0.961 459 E CA 0.284 56.783 56.400 0.164 0.000 0.945 459 E CB -0.038 29.671 29.700 0.016 0.000 0.924 459 E HN 0.420 nan 8.360 nan 0.000 0.467 460 F N -0.425 119.487 119.950 -0.063 0.000 2.645 460 F HA 0.654 5.181 4.527 -0.000 0.000 0.310 460 F C -0.873 174.769 175.800 -0.264 0.000 1.102 460 F CA -1.041 56.875 58.000 -0.139 0.000 0.952 460 F CB 1.896 40.806 39.000 -0.150 0.000 1.326 460 F HN 0.453 nan 8.300 nan 0.000 0.456 461 T N 0.162 114.553 114.554 -0.272 0.000 2.916 461 T HA 0.679 5.029 4.350 -0.000 0.000 0.292 461 T C -1.859 172.652 174.700 -0.315 0.000 1.064 461 T CA -0.428 61.410 62.100 -0.436 0.000 1.011 461 T CB 0.980 69.713 68.868 -0.224 0.000 1.152 461 T HN 0.523 nan 8.240 nan 0.000 0.510 462 Y N 1.364 121.643 120.300 -0.035 0.000 2.361 462 Y HA 0.618 5.168 4.550 -0.000 0.000 0.332 462 Y C 0.535 176.442 175.900 0.013 0.000 1.101 462 Y CA -0.929 57.196 58.100 0.040 0.000 1.137 462 Y CB 1.419 39.913 38.460 0.056 0.000 1.207 462 Y HN 0.476 nan 8.280 nan 0.000 0.463 463 K N 3.608 124.136 120.400 0.212 0.000 2.572 463 K HA 0.489 4.808 4.320 -0.000 0.000 0.244 463 K C -1.333 175.343 176.600 0.126 0.000 0.965 463 K CA -0.095 56.263 56.287 0.119 0.000 0.943 463 K CB 0.779 33.324 32.500 0.076 0.000 1.154 463 K HN 0.595 nan 8.250 nan 0.000 0.447 464 I N 3.245 123.879 120.570 0.107 0.000 2.337 464 I HA 0.136 4.306 4.170 -0.000 0.000 0.285 464 I C -0.285 175.883 176.117 0.086 0.000 1.041 464 I CA -0.391 60.970 61.300 0.102 0.000 1.199 464 I CB 1.398 39.455 38.000 0.095 0.000 1.370 464 I HN 0.440 nan 8.210 nan 0.000 0.470 465 T N 8.262 122.866 114.554 0.083 0.000 2.743 465 T HA 0.656 5.006 4.350 -0.000 0.000 0.293 465 T C -0.171 174.579 174.700 0.083 0.000 0.945 465 T CA -0.440 61.702 62.100 0.070 0.000 1.030 465 T CB 0.571 69.470 68.868 0.052 0.000 0.912 465 T HN 0.619 nan 8.240 nan 0.000 0.483 466 M N 0.242 119.895 119.600 0.089 0.000 2.389 466 M HA 0.533 5.013 4.480 -0.000 0.000 0.291 466 M C -1.406 174.937 176.300 0.072 0.000 1.128 466 M CA -0.855 54.498 55.300 0.089 0.000 0.942 466 M CB 1.693 34.376 32.600 0.139 0.000 1.783 466 M HN 0.255 nan 8.290 nan 0.000 0.501 467 S N 2.231 117.954 115.700 0.040 0.000 2.525 467 S HA 0.385 4.855 4.470 -0.000 0.000 0.278 467 S C -0.307 174.284 174.600 -0.015 0.000 1.234 467 S CA -0.642 57.568 58.200 0.016 0.000 1.058 467 S CB 1.011 64.214 63.200 0.006 0.000 0.983 467 S HN 0.713 nan 8.310 nan 0.000 0.495 468 N N 1.951 120.638 118.700 -0.022 0.000 2.719 468 N HA 0.182 4.922 4.740 -0.000 0.000 0.243 468 N C 0.262 175.733 175.510 -0.063 0.000 1.104 468 N CA -0.262 52.749 53.050 -0.064 0.000 0.981 468 N CB -0.376 38.090 38.487 -0.036 0.000 1.290 468 N HN 0.565 nan 8.380 nan 0.000 0.513 469 N N 1.134 119.787 118.700 -0.079 0.000 2.453 469 N HA -0.040 4.699 4.740 -0.000 0.000 0.183 469 N C 0.199 175.674 175.510 -0.060 0.000 1.041 469 N CA 0.422 53.437 53.050 -0.057 0.000 0.900 469 N CB 0.131 38.589 38.487 -0.049 0.000 0.961 469 N HN 0.492 nan 8.380 nan 0.000 0.443 470 N N 1.131 119.778 118.700 -0.087 0.000 2.288 470 N HA -0.081 4.659 4.740 -0.000 0.000 0.237 470 N C 0.665 176.150 175.510 -0.042 0.000 1.311 470 N CA 0.374 53.382 53.050 -0.071 0.000 0.909 470 N CB 0.364 38.791 38.487 -0.099 0.000 1.167 470 N HN 0.277 nan 8.380 nan 0.000 0.476 471 D N -1.139 119.244 120.400 -0.028 0.000 2.249 471 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 471 D C 0.302 176.597 176.300 -0.009 0.000 0.962 471 D CA 0.578 54.569 54.000 -0.015 0.000 0.860 471 D CB 0.147 40.941 40.800 -0.010 0.000 0.955 471 D HN 0.551 nan 8.370 nan 0.000 0.505 472 G N 0.393 109.189 108.800 -0.007 0.000 2.880 472 G HA2 0.309 4.268 3.960 -0.000 0.000 0.303 472 G HA3 0.309 4.268 3.960 -0.000 0.000 0.303 472 G C -1.093 173.815 174.900 0.013 0.000 2.853 472 G CA -0.325 44.777 45.100 0.003 0.000 0.748 472 G HN 0.257 nan 8.290 nan 0.000 0.349 473 E N 1.067 121.278 120.200 0.020 0.000 6.456 473 E HA -0.176 4.174 4.350 -0.000 0.000 0.224 473 E C -0.637 175.996 176.600 0.054 0.000 1.370 473 E CA 0.421 56.844 56.400 0.039 0.000 1.397 473 E CB -0.016 29.705 29.700 0.036 0.000 0.962 473 E HN 0.544 nan 8.360 nan 0.000 0.301 474 R N 4.100 124.651 120.500 0.085 0.000 2.599 474 R HA 0.479 4.819 4.340 -0.000 0.000 0.295 474 R C 0.099 176.521 176.300 0.203 0.000 0.963 474 R CA -0.972 55.221 56.100 0.155 0.000 0.883 474 R CB 1.264 31.680 30.300 0.193 0.000 1.171 474 R HN 0.543 nan 8.270 nan 0.000 0.450 475 L N 1.311 122.627 121.223 0.155 0.000 2.436 475 L HA 0.562 4.902 4.340 -0.000 0.000 0.265 475 L C -0.374 176.548 176.870 0.087 0.000 1.168 475 L CA -0.200 54.698 54.840 0.097 0.000 0.815 475 L CB 1.090 43.145 42.059 -0.007 0.000 1.109 475 L HN 0.805 nan 8.230 nan 0.000 0.462 476 A N 1.975 124.841 122.820 0.076 0.000 2.486 476 A HA 0.619 4.939 4.320 -0.000 0.000 0.300 476 A C -0.763 176.742 177.584 -0.132 0.000 1.048 476 A CA -0.507 51.461 52.037 -0.115 0.000 0.696 476 A CB 1.622 20.568 19.000 -0.090 0.000 1.278 476 A HN 0.607 nan 8.150 nan 0.000 0.405 477 T N 1.922 116.312 114.554 -0.275 0.000 2.733 477 T HA 0.486 4.836 4.350 -0.000 0.000 0.294 477 T C -0.765 173.630 174.700 -0.508 0.000 0.956 477 T CA 0.260 62.263 62.100 -0.161 0.000 0.987 477 T CB -0.262 68.605 68.868 -0.003 0.000 0.920 477 T HN 0.315 nan 8.240 nan 0.000 0.470 478 F N 3.518 123.154 119.950 -0.523 0.000 2.368 478 F HA 0.342 4.868 4.527 -0.000 0.000 0.362 478 F C 1.248 176.701 175.800 -0.579 0.000 1.137 478 F CA -0.754 56.815 58.000 -0.718 0.000 1.161 478 F CB 0.455 38.556 39.000 -1.499 0.000 1.265 478 F HN 0.212 nan 8.300 nan 0.000 0.530 479 R N 5.021 125.380 120.500 -0.236 0.000 2.229 479 R HA 0.601 4.941 4.340 -0.000 0.000 0.332 479 R C -0.877 175.268 176.300 -0.258 0.000 0.989 479 R CA -0.494 55.468 56.100 -0.230 0.000 0.842 479 R CB 1.486 31.773 30.300 -0.020 0.000 1.119 479 R HN 0.567 nan 8.270 nan 0.000 0.456 480 I N 4.585 124.879 120.570 -0.460 0.000 2.448 480 I HA 0.309 4.478 4.170 -0.000 0.000 0.281 480 I C -0.760 175.081 176.117 -0.460 0.000 1.027 480 I CA -0.600 60.490 61.300 -0.350 0.000 1.111 480 I CB 0.845 38.669 38.000 -0.293 0.000 1.236 480 I HN 0.349 nan 8.210 nan 0.000 0.452 481 F N 5.877 125.908 119.950 0.134 0.000 2.432 481 F HA 0.545 5.071 4.527 -0.000 0.000 0.329 481 F C -0.080 175.824 175.800 0.173 0.000 1.076 481 F CA -0.985 57.102 58.000 0.146 0.000 1.018 481 F CB 1.449 40.534 39.000 0.141 0.000 1.201 481 F HN 0.258 nan 8.300 nan 0.000 0.489 482 L N 3.237 124.652 121.223 0.319 0.000 2.384 482 L HA 0.545 4.885 4.340 -0.000 0.000 0.261 482 L C -1.074 176.004 176.870 0.346 0.000 1.024 482 L CA -0.149 54.832 54.840 0.235 0.000 0.899 482 L CB 0.098 42.159 42.059 0.004 0.000 1.243 482 L HN 0.692 nan 8.230 nan 0.000 0.449 483 c N 4.994 123.827 118.600 0.388 0.000 2.362 483 c HA 0.677 5.246 4.570 -0.000 0.000 0.363 483 c C -1.890 172.477 174.090 0.462 0.000 1.220 483 c CA -0.802 55.736 56.329 0.349 0.000 2.379 483 c CB 0.918 43.556 42.510 0.214 0.000 2.351 483 c HN 0.635 nan 8.230 nan 0.000 0.582 484 P HA 0.504 nan 4.420 nan 0.000 0.284 484 P C -0.153 177.249 177.300 0.170 0.000 1.292 484 P CA -0.104 63.179 63.100 0.305 0.000 0.800 484 P CB 1.255 32.883 31.700 -0.119 0.000 1.188 485 I N -2.032 118.597 120.570 0.099 0.000 3.990 485 I HA 0.178 4.348 4.170 -0.000 0.000 0.275 485 I C 0.885 177.016 176.117 0.024 0.000 1.157 485 I CA 0.178 61.514 61.300 0.059 0.000 1.338 485 I CB 0.126 38.154 38.000 0.047 0.000 1.588 485 I HN 0.213 nan 8.210 nan 0.000 0.441 486 E N 1.648 121.844 120.200 -0.007 0.000 2.250 486 E HA 0.078 4.428 4.350 -0.000 0.000 0.265 486 E C -0.248 176.336 176.600 -0.026 0.000 1.033 486 E CA -0.359 56.036 56.400 -0.007 0.000 0.888 486 E CB 1.738 31.434 29.700 -0.006 0.000 1.151 486 E HN 0.080 nan 8.360 nan 0.000 0.412 487 D N 0.723 121.120 120.400 -0.005 0.000 2.289 487 D HA -0.106 4.534 4.640 -0.000 0.000 0.207 487 D C 0.189 176.485 176.300 -0.006 0.000 0.966 487 D CA 0.457 54.454 54.000 -0.005 0.000 0.868 487 D CB 0.123 40.938 40.800 0.024 0.000 0.943 487 D HN 0.554 nan 8.370 nan 0.000 0.514 488 N N 0.152 118.864 118.700 0.020 0.000 2.814 488 N HA -0.171 4.569 4.740 -0.000 0.000 0.247 488 N C -0.365 175.178 175.510 0.055 0.000 1.089 488 N CA 0.786 53.870 53.050 0.056 0.000 0.682 488 N CB -1.430 37.073 38.487 0.027 0.000 0.970 488 N HN 0.172 nan 8.380 nan 0.000 0.554 489 N N -1.290 117.438 118.700 0.047 0.000 2.247 489 N HA 0.189 4.928 4.740 -0.000 0.000 0.317 489 N C 0.814 176.342 175.510 0.031 0.000 0.873 489 N CA 0.948 54.020 53.050 0.035 0.000 0.629 489 N CB -0.071 38.434 38.487 0.030 0.000 2.199 489 N HN 0.728 nan 8.380 nan 0.000 0.945 490 G N 1.573 110.392 108.800 0.032 0.000 2.134 490 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.209 490 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.209 490 G C 0.857 175.771 174.900 0.022 0.000 0.993 490 G CA 0.374 45.490 45.100 0.027 0.000 0.669 490 G HN 0.294 nan 8.290 nan 0.000 0.519 491 I N 0.295 120.879 120.570 0.024 0.000 2.493 491 I HA 0.004 4.174 4.170 -0.000 0.000 0.254 491 I C 1.548 177.682 176.117 0.028 0.000 1.160 491 I CA 1.242 62.557 61.300 0.025 0.000 1.445 491 I CB -0.359 37.658 38.000 0.029 0.000 1.086 491 I HN 0.584 nan 8.210 nan 0.000 0.433 492 T N 2.379 116.950 114.554 0.028 0.000 1.803 492 T HA -0.106 4.244 4.350 -0.000 0.000 0.613 492 T C -0.066 174.660 174.700 0.044 0.000 0.923 492 T CA -0.302 61.818 62.100 0.034 0.000 3.257 492 T CB -1.161 67.727 68.868 0.032 0.000 1.901 492 T HN 0.250 nan 8.240 nan 0.000 0.423 493 L N 3.556 124.813 121.223 0.056 0.000 2.482 493 L HA 0.750 5.090 4.340 -0.000 0.000 0.242 493 L C 1.720 178.627 176.870 0.063 0.000 1.210 493 L CA 0.311 55.193 54.840 0.070 0.000 0.819 493 L CB -0.177 41.951 42.059 0.115 0.000 1.203 493 L HN 0.670 nan 8.230 nan 0.000 0.495 494 T N -2.289 112.299 114.554 0.057 0.000 3.316 494 T HA 0.398 4.748 4.350 -0.000 0.000 0.253 494 T C 0.447 175.164 174.700 0.028 0.000 0.995 494 T CA -0.407 61.718 62.100 0.042 0.000 1.031 494 T CB -0.676 68.210 68.868 0.030 0.000 1.125 494 T HN 0.648 nan 8.240 nan 0.000 0.539 495 L N 0.761 121.997 121.223 0.021 0.000 3.941 495 L HA -0.274 4.066 4.340 -0.000 0.000 0.455 495 L C 0.116 176.972 176.870 -0.023 0.000 1.179 495 L CA 1.758 56.581 54.840 -0.028 0.000 0.782 495 L CB -1.089 40.936 42.059 -0.058 0.000 1.679 495 L HN 0.669 nan 8.230 nan 0.000 0.871 496 D N -2.469 117.928 120.400 -0.006 0.000 2.151 496 D HA -0.006 4.633 4.640 -0.000 0.000 0.260 496 D C 1.260 177.546 176.300 -0.024 0.000 1.358 496 D CA 0.633 54.620 54.000 -0.022 0.000 1.309 496 D CB -0.052 40.730 40.800 -0.030 0.000 2.149 496 D HN 0.483 nan 8.370 nan 0.000 0.379 497 E N 0.277 120.478 120.200 0.003 0.000 2.107 497 E HA 0.073 4.422 4.350 -0.000 0.000 0.191 497 E C 1.445 178.095 176.600 0.083 0.000 0.982 497 E CA 1.150 57.559 56.400 0.016 0.000 0.809 497 E CB 0.142 29.880 29.700 0.062 0.000 0.756 497 E HN 0.259 nan 8.360 nan 0.000 0.459 498 A N 1.283 124.184 122.820 0.135 0.000 2.303 498 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 498 A C 1.895 179.564 177.584 0.142 0.000 1.205 498 A CA -0.018 52.161 52.037 0.237 0.000 0.875 498 A CB -0.152 18.951 19.000 0.171 0.000 0.910 498 A HN 0.150 nan 8.150 nan 0.000 0.501 499 R N -1.141 119.393 120.500 0.057 0.000 2.091 499 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 499 R C 2.009 178.386 176.300 0.128 0.000 1.136 499 R CA 1.457 57.564 56.100 0.011 0.000 0.959 499 R CB -0.603 29.690 30.300 -0.012 0.000 0.856 499 R HN 0.677 nan 8.270 nan 0.000 0.437 500 W N 0.437 121.709 121.300 -0.046 0.000 2.678 500 W HA -0.026 4.634 4.660 -0.000 0.000 0.256 500 W C 0.532 177.111 176.519 0.100 0.000 1.280 500 W CA 0.161 57.526 57.345 0.034 0.000 1.345 500 W CB 0.137 29.548 29.460 -0.082 0.000 1.118 500 W HN 0.081 nan 8.180 nan 0.000 0.629 501 F N 0.685 120.662 119.950 0.044 0.000 2.710 501 F HA 0.046 4.573 4.527 -0.000 0.000 0.298 501 F C 1.381 177.026 175.800 -0.259 0.000 1.137 501 F CA -0.236 57.661 58.000 -0.171 0.000 1.444 501 F CB -1.123 37.770 39.000 -0.178 0.000 1.111 501 F HN -0.354 nan 8.300 nan 0.000 0.580 502 c N 2.793 121.429 118.600 0.061 0.000 2.637 502 c HA 0.385 4.955 4.570 -0.000 0.000 0.418 502 c C 0.787 174.915 174.090 0.063 0.000 1.319 502 c CA -1.265 55.130 56.329 0.110 0.000 1.949 502 c CB -1.281 41.293 42.510 0.106 0.000 2.639 502 c HN 0.279 nan 8.230 nan 0.000 0.594 503 I N 0.022 120.699 120.570 0.177 0.000 2.392 503 I HA 0.489 4.659 4.170 -0.000 0.000 0.295 503 I C -0.004 176.222 176.117 0.181 0.000 0.985 503 I CA -0.318 61.021 61.300 0.065 0.000 1.221 503 I CB 0.943 38.965 38.000 0.036 0.000 1.366 503 I HN 0.660 nan 8.210 nan 0.000 0.467 504 E N 3.878 124.173 120.200 0.159 0.000 2.324 504 E HA 0.104 4.453 4.350 -0.000 0.000 0.271 504 E C -0.125 176.476 176.600 0.002 0.000 1.028 504 E CA -0.319 56.163 56.400 0.137 0.000 0.890 504 E CB 1.321 31.181 29.700 0.267 0.000 1.004 504 E HN 0.734 nan 8.360 nan 0.000 0.431 505 L N 3.961 125.149 121.223 -0.058 0.000 2.470 505 L HA 0.288 4.628 4.340 -0.000 0.000 0.219 505 L C -0.274 176.603 176.870 0.011 0.000 1.071 505 L CA 0.829 55.664 54.840 -0.010 0.000 0.850 505 L CB 0.598 42.672 42.059 0.026 0.000 1.040 505 L HN 0.543 nan 8.230 nan 0.000 0.475 506 D N -1.068 119.300 120.400 -0.053 0.000 2.728 506 D HA 0.264 4.904 4.640 -0.000 0.000 0.249 506 D C -1.610 174.650 176.300 -0.067 0.000 1.225 506 D CA -0.453 53.558 54.000 0.019 0.000 0.748 506 D CB 1.358 42.247 40.800 0.147 0.000 1.326 506 D HN -0.220 nan 8.370 nan 0.000 0.426 507 K N 2.524 122.926 120.400 0.003 0.000 2.616 507 K HA 0.438 4.758 4.320 -0.000 0.000 0.255 507 K C -1.711 174.834 176.600 -0.092 0.000 0.995 507 K CA -0.581 55.627 56.287 -0.132 0.000 0.860 507 K CB 0.863 33.265 32.500 -0.162 0.000 1.264 507 K HN 0.372 nan 8.250 nan 0.000 0.451 508 F N 1.238 121.051 119.950 -0.228 0.000 2.654 508 F HA 0.624 5.151 4.527 -0.000 0.000 0.308 508 F C -1.812 173.907 175.800 -0.134 0.000 1.108 508 F CA -1.303 56.537 58.000 -0.266 0.000 0.957 508 F CB 0.815 39.760 39.000 -0.092 0.000 1.309 508 F HN 0.101 nan 8.300 nan 0.000 0.446 509 F N 1.988 122.113 119.950 0.291 0.000 2.361 509 F HA 0.642 5.169 4.527 -0.000 0.000 0.364 509 F C -0.059 175.928 175.800 0.312 0.000 1.117 509 F CA -0.616 57.505 58.000 0.201 0.000 1.071 509 F CB 1.541 40.583 39.000 0.070 0.000 1.188 509 F HN 0.639 nan 8.300 nan 0.000 0.464 510 Q N 2.531 122.675 119.800 0.573 0.000 2.375 510 Q HA 0.452 4.792 4.340 -0.000 0.000 0.271 510 Q C -1.147 175.081 176.000 0.381 0.000 1.074 510 Q CA -0.864 55.219 55.803 0.468 0.000 0.808 510 Q CB 1.824 30.886 28.738 0.540 0.000 1.327 510 Q HN 0.495 nan 8.270 nan 0.000 0.441 511 K N 1.699 122.250 120.400 0.252 0.000 2.297 511 K HA 0.365 4.685 4.320 -0.000 0.000 0.286 511 K C -1.023 175.704 176.600 0.210 0.000 1.053 511 K CA -0.471 55.933 56.287 0.195 0.000 0.940 511 K CB 1.169 33.744 32.500 0.124 0.000 1.019 511 K HN 0.348 nan 8.250 nan 0.000 0.475 512 V N 6.181 126.224 119.914 0.214 0.000 2.370 512 V HA 0.227 4.347 4.120 -0.000 0.000 0.279 512 V C -1.735 174.427 176.094 0.114 0.000 1.029 512 V CA -1.876 60.541 62.300 0.194 0.000 0.870 512 V CB 0.993 32.956 31.823 0.233 0.000 0.984 512 V HN 0.750 nan 8.190 nan 0.000 0.451 513 P HA 0.169 nan 4.420 nan 0.000 0.276 513 P C -0.210 177.115 177.300 0.041 0.000 1.261 513 P CA -0.307 62.828 63.100 0.057 0.000 0.800 513 P CB 1.022 32.752 31.700 0.050 0.000 1.066 514 S N -0.130 115.585 115.700 0.025 0.000 2.549 514 S HA 0.493 4.962 4.470 -0.000 0.000 0.279 514 S C 0.444 175.051 174.600 0.012 0.000 1.321 514 S CA 0.951 59.157 58.200 0.010 0.000 1.054 514 S CB -1.383 61.819 63.200 0.004 0.000 0.899 514 S HN 0.974 nan 8.310 nan 0.000 0.497 515 G N 4.852 113.655 108.800 0.006 0.000 2.795 515 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.664 515 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.664 515 G C -3.040 171.872 174.900 0.020 0.000 1.381 515 G CA -0.726 44.380 45.100 0.009 0.000 0.853 515 G HN 0.685 nan 8.290 nan 0.000 0.545 516 P HA 0.078 nan 4.420 nan 0.000 0.252 516 P C 0.050 177.369 177.300 0.031 0.000 1.147 516 P CA 1.192 64.307 63.100 0.025 0.000 0.779 516 P CB 0.527 32.239 31.700 0.019 0.000 0.733 517 E N 1.955 122.181 120.200 0.043 0.000 2.423 517 E HA 0.600 4.949 4.350 -0.000 0.000 0.269 517 E C -1.001 175.627 176.600 0.048 0.000 0.948 517 E CA -0.787 55.641 56.400 0.047 0.000 0.802 517 E CB 1.729 31.466 29.700 0.062 0.000 1.339 517 E HN 0.147 nan 8.360 nan 0.000 0.445 518 T N 2.028 116.605 114.554 0.040 0.000 3.337 518 T HA 0.281 4.631 4.350 -0.000 0.000 0.321 518 T C -0.443 174.267 174.700 0.016 0.000 0.852 518 T CA -0.518 61.603 62.100 0.035 0.000 1.242 518 T CB -0.291 68.594 68.868 0.029 0.000 0.979 518 T HN 0.343 nan 8.240 nan 0.000 0.508 519 I N 0.732 121.306 120.570 0.006 0.000 2.474 519 I HA 0.529 4.699 4.170 -0.000 0.000 0.287 519 I C 0.434 176.535 176.117 -0.027 0.000 1.048 519 I CA -0.467 60.805 61.300 -0.046 0.000 1.383 519 I CB 0.879 38.789 38.000 -0.149 0.000 1.412 519 I HN 0.443 nan 8.210 nan 0.000 0.531 520 E N 6.744 126.917 120.200 -0.046 0.000 2.222 520 E HA 0.558 4.908 4.350 -0.000 0.000 0.267 520 E C -1.252 175.288 176.600 -0.100 0.000 0.884 520 E CA -0.907 55.471 56.400 -0.036 0.000 0.764 520 E CB 2.434 32.108 29.700 -0.043 0.000 1.169 520 E HN 0.660 nan 8.360 nan 0.000 0.413 521 R N 2.184 122.632 120.500 -0.086 0.000 2.594 521 R HA 0.266 4.606 4.340 -0.000 0.000 0.265 521 R C -1.662 174.495 176.300 -0.238 0.000 1.070 521 R CA -0.467 55.518 56.100 -0.192 0.000 0.909 521 R CB 2.174 32.289 30.300 -0.308 0.000 1.243 521 R HN 0.511 nan 8.270 nan 0.000 0.455 522 S N 0.444 115.964 115.700 -0.299 0.000 2.608 522 S HA 0.119 4.589 4.470 -0.000 0.000 0.291 522 S C 1.272 175.600 174.600 -0.452 0.000 1.146 522 S CA 0.087 58.046 58.200 -0.402 0.000 1.043 522 S CB 1.695 64.730 63.200 -0.276 0.000 1.037 522 S HN 0.715 nan 8.310 nan 0.000 0.520 523 S N 3.328 118.603 115.700 -0.709 0.000 2.409 523 S HA -0.231 4.239 4.470 -0.000 0.000 0.237 523 S C 1.561 176.006 174.600 -0.258 0.000 1.060 523 S CA 2.099 59.893 58.200 -0.677 0.000 1.052 523 S CB -0.497 62.357 63.200 -0.577 0.000 0.871 523 S HN 0.793 nan 8.310 nan 0.000 0.465 524 K N 0.246 120.523 120.400 -0.205 0.000 2.062 524 K HA 0.006 4.326 4.320 -0.000 0.000 0.205 524 K C 1.502 178.032 176.600 -0.116 0.000 1.051 524 K CA 1.342 57.559 56.287 -0.116 0.000 0.941 524 K CB -0.203 32.238 32.500 -0.098 0.000 0.719 524 K HN 0.444 nan 8.250 nan 0.000 0.440 525 D N 1.132 121.439 120.400 -0.156 0.000 2.363 525 D HA -0.047 4.593 4.640 -0.000 0.000 0.226 525 D C 0.419 176.651 176.300 -0.114 0.000 1.020 525 D CA 0.338 54.250 54.000 -0.147 0.000 0.892 525 D CB -0.010 40.665 40.800 -0.208 0.000 0.900 525 D HN -0.032 nan 8.370 nan 0.000 0.531 526 S N 0.561 116.210 115.700 -0.085 0.000 2.561 526 S HA -0.047 4.423 4.470 -0.000 0.000 0.294 526 S C 1.596 176.194 174.600 -0.002 0.000 1.294 526 S CA 0.131 58.319 58.200 -0.020 0.000 1.055 526 S CB 0.694 63.889 63.200 -0.009 0.000 0.819 526 S HN 0.271 nan 8.310 nan 0.000 0.503 527 S N 3.059 118.779 115.700 0.033 0.000 2.501 527 S HA -0.032 4.438 4.470 -0.000 0.000 0.220 527 S C 1.333 175.966 174.600 0.054 0.000 0.997 527 S CA 0.529 58.756 58.200 0.045 0.000 0.919 527 S CB -0.298 62.934 63.200 0.054 0.000 0.778 527 S HN 1.158 nan 8.310 nan 0.000 0.523 528 V N -1.164 118.774 119.914 0.040 0.000 3.514 528 V HA 0.423 4.542 4.120 -0.000 0.000 0.301 528 V C 0.104 176.189 176.094 -0.016 0.000 1.346 528 V CA -0.123 62.195 62.300 0.031 0.000 1.156 528 V CB -0.731 31.107 31.823 0.025 0.000 1.029 528 V HN 0.319 nan 8.190 nan 0.000 0.428 529 T N 0.474 115.023 114.554 -0.009 0.000 2.908 529 T HA 0.758 5.108 4.350 -0.000 0.000 0.290 529 T C -0.790 173.903 174.700 -0.012 0.000 1.034 529 T CA -0.329 61.758 62.100 -0.021 0.000 1.010 529 T CB 2.399 71.262 68.868 -0.008 0.000 1.068 529 T HN 0.094 nan 8.240 nan 0.000 0.481 530 V N 4.522 124.432 119.914 -0.006 0.000 2.760 530 V HA 0.518 4.638 4.120 -0.000 0.000 0.309 530 V C -2.189 173.932 176.094 0.044 0.000 1.077 530 V CA -1.922 60.390 62.300 0.020 0.000 0.910 530 V CB 2.390 34.236 31.823 0.038 0.000 1.008 530 V HN 0.725 nan 8.190 nan 0.000 0.424 531 P HA 0.264 nan 4.420 nan 0.000 0.274 531 P C -1.007 176.381 177.300 0.147 0.000 1.246 531 P CA -0.396 62.769 63.100 0.108 0.000 0.795 531 P CB 0.754 32.536 31.700 0.138 0.000 1.006 532 D N 0.693 121.177 120.400 0.140 0.000 2.378 532 D HA 0.203 4.843 4.640 -0.000 0.000 0.238 532 D C 0.437 176.853 176.300 0.194 0.000 1.180 532 D CA 0.433 54.524 54.000 0.151 0.000 0.895 532 D CB -0.104 40.808 40.800 0.187 0.000 1.192 532 D HN 0.242 nan 8.370 nan 0.000 0.438 533 M N 1.068 120.768 119.600 0.167 0.000 2.409 533 M HA 0.355 4.835 4.480 -0.000 0.000 0.329 533 M C -2.141 174.129 176.300 -0.050 0.000 1.180 533 M CA -1.756 53.523 55.300 -0.036 0.000 1.053 533 M CB 0.680 33.212 32.600 -0.113 0.000 1.586 533 M HN 0.138 nan 8.290 nan 0.000 0.461 534 P HA -0.042 nan 4.420 nan 0.000 0.266 534 P C -0.329 176.939 177.300 -0.053 0.000 1.186 534 P CA 0.021 62.998 63.100 -0.204 0.000 0.767 534 P CB 0.441 31.914 31.700 -0.378 0.000 0.820 535 S N 1.093 116.805 115.700 0.021 0.000 2.617 535 S HA 0.093 4.563 4.470 -0.000 0.000 0.259 535 S C 0.864 175.547 174.600 0.138 0.000 1.301 535 S CA -0.503 57.752 58.200 0.090 0.000 0.984 535 S CB -0.100 63.143 63.200 0.072 0.000 0.954 535 S HN 0.374 nan 8.310 nan 0.000 0.572 536 F N 1.387 121.332 119.950 -0.008 0.000 2.234 536 F HA 0.110 4.637 4.527 -0.000 0.000 0.296 536 F C 2.442 178.253 175.800 0.017 0.000 1.089 536 F CA 1.785 59.784 58.000 -0.003 0.000 1.343 536 F CB -1.018 37.995 39.000 0.022 0.000 1.040 536 F HN 0.815 nan 8.300 nan 0.000 0.498 537 Q N -0.654 119.127 119.800 -0.033 0.000 2.079 537 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 537 Q C 2.502 178.453 176.000 -0.081 0.000 0.974 537 Q CA 1.847 57.568 55.803 -0.137 0.000 0.840 537 Q CB -0.290 28.416 28.738 -0.053 0.000 0.898 537 Q HN 0.387 nan 8.270 nan 0.000 0.430 538 S N -0.027 115.661 115.700 -0.019 0.000 2.359 538 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 538 S C 1.849 176.439 174.600 -0.016 0.000 1.035 538 S CA 1.145 59.338 58.200 -0.013 0.000 1.018 538 S CB -0.320 62.880 63.200 -0.000 0.000 0.876 538 S HN 0.500 nan 8.310 nan 0.000 0.448 539 L N 0.453 121.679 121.223 0.005 0.000 2.275 539 L HA -0.056 4.284 4.340 -0.000 0.000 0.215 539 L C 2.521 179.380 176.870 -0.018 0.000 1.119 539 L CA 1.021 55.872 54.840 0.018 0.000 0.790 539 L CB -0.308 41.809 42.059 0.096 0.000 0.919 539 L HN 0.316 nan 8.230 nan 0.000 0.443 540 K N 0.101 120.444 120.400 -0.094 0.000 1.995 540 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 540 K C 1.925 178.491 176.600 -0.057 0.000 1.041 540 K CA 0.901 57.111 56.287 -0.128 0.000 0.942 540 K CB -0.105 32.241 32.500 -0.257 0.000 0.731 540 K HN 0.147 nan 8.250 nan 0.000 0.439 541 E N 1.146 121.314 120.200 -0.054 0.000 2.113 541 E HA -0.314 4.036 4.350 -0.000 0.000 0.210 541 E C 2.166 178.757 176.600 -0.015 0.000 1.040 541 E CA 1.834 58.219 56.400 -0.026 0.000 0.847 541 E CB -0.087 29.599 29.700 -0.023 0.000 0.755 541 E HN 0.319 nan 8.360 nan 0.000 0.459 542 Q N -0.398 119.393 119.800 -0.015 0.000 2.167 542 Q HA -0.079 4.260 4.340 -0.000 0.000 0.202 542 Q C 2.170 178.161 176.000 -0.015 0.000 0.970 542 Q CA 0.976 56.773 55.803 -0.009 0.000 0.855 542 Q CB -0.035 28.702 28.738 -0.001 0.000 0.911 542 Q HN 0.258 nan 8.270 nan 0.000 0.438 543 A N 1.600 124.406 122.820 -0.023 0.000 1.855 543 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 543 A C 1.700 179.266 177.584 -0.029 0.000 1.191 543 A CA 1.558 53.573 52.037 -0.037 0.000 0.613 543 A CB -0.414 18.553 19.000 -0.055 0.000 0.829 543 A HN 0.185 nan 8.150 nan 0.000 0.442 544 D N 0.057 120.448 120.400 -0.014 0.000 2.149 544 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 544 D C 1.359 177.665 176.300 0.009 0.000 0.990 544 D CA 1.040 55.047 54.000 0.011 0.000 0.839 544 D CB -0.305 40.514 40.800 0.031 0.000 0.948 544 D HN 0.300 nan 8.370 nan 0.000 0.460 545 N N -0.115 118.585 118.700 0.001 0.000 2.512 545 N HA -0.016 4.723 4.740 -0.000 0.000 0.183 545 N C 0.774 176.282 175.510 -0.003 0.000 1.073 545 N CA 0.408 53.458 53.050 0.000 0.000 0.911 545 N CB 0.212 38.697 38.487 -0.002 0.000 0.964 545 N HN 0.053 nan 8.380 nan 0.000 0.447 546 A N -0.572 122.243 122.820 -0.009 0.000 2.535 546 A HA 0.272 4.592 4.320 -0.000 0.000 0.273 546 A C 1.511 179.085 177.584 -0.015 0.000 1.267 546 A CA -0.241 51.787 52.037 -0.014 0.000 0.940 546 A CB -0.007 18.979 19.000 -0.023 0.000 1.101 546 A HN 0.066 nan 8.150 nan 0.000 0.521 547 V N -2.430 117.480 119.914 -0.006 0.000 2.635 547 V HA 0.084 4.204 4.120 -0.000 0.000 0.233 547 V C 0.556 176.654 176.094 0.006 0.000 1.097 547 V CA 0.251 62.551 62.300 0.001 0.000 1.134 547 V CB -1.013 30.817 31.823 0.012 0.000 0.841 547 V HN 0.442 nan 8.190 nan 0.000 0.496 548 N N 2.695 121.402 118.700 0.012 0.000 2.814 548 N HA 0.341 5.081 4.740 -0.000 0.000 0.304 548 N C 0.769 176.283 175.510 0.006 0.000 1.211 548 N CA 1.183 54.241 53.050 0.013 0.000 1.158 548 N CB 0.362 38.861 38.487 0.019 0.000 1.458 548 N HN 0.957 nan 8.380 nan 0.000 0.519 549 G N -0.172 108.630 108.800 0.003 0.000 2.263 549 G HA2 0.029 3.988 3.960 -0.000 0.000 0.207 549 G HA3 0.029 3.988 3.960 -0.000 0.000 0.207 549 G C 0.512 175.409 174.900 -0.005 0.000 1.072 549 G CA -0.392 44.708 45.100 -0.000 0.000 0.800 549 G HN 0.702 nan 8.290 nan 0.000 0.491 554 D N 1.958 122.346 120.400 -0.018 0.000 2.232 554 D HA 0.101 4.741 4.640 -0.000 0.000 0.220 554 D C 1.203 177.498 176.300 -0.008 0.000 0.982 554 D CA 0.772 54.759 54.000 -0.023 0.000 0.892 554 D CB 0.386 41.172 40.800 -0.023 0.000 1.040 554 D HN 0.372 nan 8.370 nan 0.000 0.463 555 L N 0.891 122.131 121.223 0.029 0.000 3.851 555 L HA -0.204 4.136 4.340 -0.000 0.000 0.438 555 L C 0.137 177.052 176.870 0.074 0.000 1.171 555 L CA 0.455 55.358 54.840 0.104 0.000 0.895 555 L CB -2.126 39.992 42.059 0.100 0.000 1.800 555 L HN -0.101 nan 8.230 nan 0.000 0.960 556 S N -1.137 114.545 115.700 -0.030 0.000 2.434 556 S HA 0.755 5.225 4.470 -0.000 0.000 0.318 556 S C 0.775 175.231 174.600 -0.240 0.000 1.062 556 S CA 0.364 58.502 58.200 -0.104 0.000 1.116 556 S CB 0.767 63.917 63.200 -0.083 0.000 0.977 556 S HN 0.600 nan 8.310 nan 0.000 0.480 557 A N 4.403 126.990 122.820 -0.388 0.000 2.263 557 A HA 0.202 4.521 4.320 -0.000 0.000 0.150 557 A C -0.106 177.130 177.584 -0.579 0.000 1.963 557 A CA -0.152 51.508 52.037 -0.628 0.000 1.452 557 A CB -0.339 18.062 19.000 -0.998 0.000 1.568 557 A HN 0.712 nan 8.150 nan 0.000 0.323 558 Y N 1.778 122.048 120.300 -0.049 0.000 2.696 558 Y HA 0.385 4.935 4.550 -0.000 0.000 0.260 558 Y C 0.786 176.653 175.900 -0.055 0.000 1.165 558 Y CA -0.017 58.058 58.100 -0.043 0.000 1.189 558 Y CB 0.051 38.498 38.460 -0.021 0.000 1.180 558 Y HN 0.368 nan 8.280 nan 0.000 0.538 559 E N 0.628 120.844 120.200 0.027 0.000 2.359 559 E HA 0.201 4.551 4.350 -0.000 0.000 0.187 559 E C 0.795 177.373 176.600 -0.037 0.000 1.081 559 E CA 0.124 56.519 56.400 -0.009 0.000 0.929 559 E CB 0.269 29.942 29.700 -0.045 0.000 1.086 559 E HN 0.544 nan 8.360 nan 0.000 0.462 560 R N -0.870 119.609 120.500 -0.034 0.000 4.137 560 R HA 0.056 4.396 4.340 -0.000 0.000 0.082 560 R C -0.152 176.131 176.300 -0.029 0.000 0.716 560 R CA 0.103 56.168 56.100 -0.058 0.000 1.733 560 R CB 0.352 30.602 30.300 -0.082 0.000 1.564 560 R HN -0.087 nan 8.270 nan 0.000 0.427 561 S N 1.017 116.714 115.700 -0.004 0.000 3.255 561 S HA -0.212 4.258 4.470 -0.000 0.000 0.358 561 S C 0.920 175.584 174.600 0.106 0.000 0.915 561 S CA 0.340 58.566 58.200 0.044 0.000 1.335 561 S CB -1.281 61.968 63.200 0.082 0.000 0.938 561 S HN 0.476 nan 8.310 nan 0.000 0.550 562 c N 1.258 119.939 118.600 0.134 0.000 2.446 562 c HA 0.105 4.674 4.570 -0.000 0.000 0.277 562 c C 2.337 176.635 174.090 0.346 0.000 1.275 562 c CA 0.363 56.856 56.329 0.272 0.000 1.727 562 c CB -1.590 41.106 42.510 0.310 0.000 2.010 562 c HN 1.020 nan 8.230 nan 0.000 0.486 563 G N 0.611 109.503 108.800 0.155 0.000 2.785 563 G HA2 0.319 4.279 3.960 -0.000 0.000 0.256 563 G HA3 0.319 4.279 3.960 -0.000 0.000 0.256 563 G C -0.065 174.675 174.900 -0.267 0.000 1.248 563 G CA -0.022 45.064 45.100 -0.024 0.000 0.914 563 G HN 0.654 nan 8.290 nan 0.000 0.580 564 I N -2.319 118.037 120.570 -0.357 0.000 2.783 564 I HA 0.535 4.705 4.170 -0.000 0.000 0.312 564 I C -2.519 173.511 176.117 -0.145 0.000 0.988 564 I CA -2.850 58.224 61.300 -0.378 0.000 1.182 564 I CB 1.956 39.738 38.000 -0.363 0.000 1.368 564 I HN 0.129 nan 8.210 nan 0.000 0.511 565 P HA 0.035 nan 4.420 nan 0.000 0.267 565 P C -0.269 177.018 177.300 -0.022 0.000 1.205 565 P CA 0.254 63.323 63.100 -0.051 0.000 0.765 565 P CB 0.565 32.222 31.700 -0.071 0.000 0.828 566 D N 3.502 123.909 120.400 0.012 0.000 2.158 566 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 566 D C 1.704 178.095 176.300 0.152 0.000 0.995 566 D CA 1.459 55.505 54.000 0.078 0.000 0.846 566 D CB 0.055 40.895 40.800 0.068 0.000 0.941 566 D HN 0.357 nan 8.370 nan 0.000 0.456 567 R N -0.279 120.238 120.500 0.028 0.000 2.159 567 R HA -0.088 4.251 4.340 -0.000 0.000 0.237 567 R C 1.715 178.053 176.300 0.064 0.000 1.131 567 R CA 1.124 57.219 56.100 -0.010 0.000 0.982 567 R CB -0.501 29.752 30.300 -0.079 0.000 0.868 567 R HN 0.269 nan 8.270 nan 0.000 0.453 568 M N 0.694 120.309 119.600 0.025 0.000 2.556 568 M HA 0.077 4.557 4.480 -0.000 0.000 0.245 568 M C 1.719 177.999 176.300 -0.034 0.000 1.128 568 M CA 0.138 55.437 55.300 -0.003 0.000 1.069 568 M CB -0.620 31.956 32.600 -0.040 0.000 1.469 568 M HN 0.127 nan 8.290 nan 0.000 0.494 569 L N 1.493 122.701 121.223 -0.025 0.000 2.013 569 L HA -0.195 4.144 4.340 -0.000 0.000 0.239 569 L C 0.612 177.368 176.870 -0.192 0.000 1.100 569 L CA 1.956 56.728 54.840 -0.113 0.000 0.826 569 L CB -0.698 41.253 42.059 -0.180 0.000 0.921 569 L HN 0.148 nan 8.230 nan 0.000 0.445 570 L N -0.083 120.962 121.223 -0.297 0.000 2.421 570 L HA 0.358 4.698 4.340 -0.000 0.000 0.263 570 L C -1.948 174.701 176.870 -0.368 0.000 1.122 570 L CA -1.778 52.832 54.840 -0.383 0.000 0.804 570 L CB -0.479 41.312 42.059 -0.447 0.000 1.150 570 L HN 0.159 nan 8.230 nan 0.000 0.457 571 P HA 0.090 nan 4.420 nan 0.000 0.274 571 P C 0.081 177.152 177.300 -0.380 0.000 1.256 571 P CA -0.504 62.311 63.100 -0.475 0.000 0.795 571 P CB 0.746 31.960 31.700 -0.810 0.000 1.038 572 K N 0.712 120.932 120.400 -0.300 0.000 2.057 572 K HA -0.083 4.237 4.320 -0.000 0.000 0.206 572 K C 0.776 177.122 176.600 -0.423 0.000 1.050 572 K CA 1.281 57.306 56.287 -0.436 0.000 0.935 572 K CB -0.294 31.933 32.500 -0.455 0.000 0.715 572 K HN 0.553 nan 8.250 nan 0.000 0.439 573 S N -0.663 114.890 115.700 -0.246 0.000 3.443 573 S HA -0.201 4.269 4.470 -0.000 0.000 0.635 573 S C -1.013 173.497 174.600 -0.150 0.000 2.555 573 S CA 0.941 59.079 58.200 -0.104 0.000 2.778 573 S CB -0.624 62.581 63.200 0.009 0.000 0.331 573 S HN 0.465 nan 8.310 nan 0.000 1.765 574 K N 1.116 121.495 120.400 -0.034 0.000 2.238 574 K HA 0.513 4.833 4.320 -0.000 0.000 0.239 574 K C -2.152 174.550 176.600 0.171 0.000 0.987 574 K CA -1.744 54.590 56.287 0.079 0.000 0.857 574 K CB 1.156 33.724 32.500 0.114 0.000 1.154 574 K HN 0.303 nan 8.250 nan 0.000 0.439 575 P HA -0.070 nan 4.420 nan 0.000 0.227 575 P C 0.156 177.541 177.300 0.142 0.000 1.161 575 P CA 0.959 64.174 63.100 0.190 0.000 0.788 575 P CB 0.280 32.084 31.700 0.173 0.000 0.822 576 E N -0.255 120.033 120.200 0.147 0.000 2.112 576 E HA 0.202 4.552 4.350 -0.000 0.000 0.190 576 E C 0.914 177.559 176.600 0.076 0.000 0.979 576 E CA 0.654 57.119 56.400 0.109 0.000 0.814 576 E CB -0.420 29.362 29.700 0.137 0.000 0.762 576 E HN 0.151 nan 8.360 nan 0.000 0.460 577 G N 1.629 110.475 108.800 0.076 0.000 2.675 577 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.686 577 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.686 577 G C -0.501 174.376 174.900 -0.039 0.000 1.215 577 G CA -0.219 44.893 45.100 0.020 0.000 0.777 577 G HN 0.137 nan 8.290 nan 0.000 0.638 578 M N -0.803 118.709 119.600 -0.148 0.000 2.593 578 M HA 0.808 5.287 4.480 -0.000 0.000 0.290 578 M C -0.597 175.397 176.300 -0.511 0.000 1.244 578 M CA -1.098 53.989 55.300 -0.356 0.000 0.857 578 M CB 2.409 34.718 32.600 -0.484 0.000 1.738 578 M HN 0.465 nan 8.290 nan 0.000 0.461 579 E N 1.613 121.512 120.200 -0.502 0.000 2.133 579 E HA 0.568 4.918 4.350 -0.000 0.000 0.274 579 E C -1.595 174.714 176.600 -0.485 0.000 0.930 579 E CA -0.366 55.825 56.400 -0.349 0.000 0.770 579 E CB 1.449 31.063 29.700 -0.143 0.000 1.104 579 E HN 0.438 nan 8.360 nan 0.000 0.403 580 F N 1.094 121.058 119.950 0.023 0.000 2.461 580 F HA 0.339 4.865 4.527 -0.000 0.000 0.332 580 F C 0.767 176.626 175.800 0.099 0.000 1.073 580 F CA -1.056 56.983 58.000 0.065 0.000 1.017 580 F CB 0.824 39.831 39.000 0.011 0.000 1.301 580 F HN 0.283 nan 8.300 nan 0.000 0.492 581 N N 1.385 120.301 118.700 0.360 0.000 2.417 581 N HA 0.330 5.069 4.740 -0.000 0.000 0.274 581 N C -1.599 174.109 175.510 0.329 0.000 0.987 581 N CA -0.393 52.835 53.050 0.297 0.000 0.912 581 N CB 1.390 40.053 38.487 0.293 0.000 1.177 581 N HN 0.600 nan 8.380 nan 0.000 0.490 582 L N 3.888 125.248 121.223 0.228 0.000 2.275 582 L HA 0.439 4.778 4.340 -0.000 0.000 0.288 582 L C -1.161 175.787 176.870 0.130 0.000 1.046 582 L CA -0.669 54.295 54.840 0.207 0.000 0.805 582 L CB 0.369 42.519 42.059 0.152 0.000 1.193 582 L HN 0.479 nan 8.230 nan 0.000 0.426 583 Y N 4.203 124.614 120.300 0.185 0.000 2.342 583 Y HA 0.463 5.013 4.550 -0.000 0.000 0.338 583 Y C -0.314 175.680 175.900 0.158 0.000 0.965 583 Y CA -0.423 57.803 58.100 0.211 0.000 1.159 583 Y CB 1.827 40.450 38.460 0.273 0.000 1.157 583 Y HN 0.219 nan 8.280 nan 0.000 0.486 584 V N 4.000 124.020 119.914 0.177 0.000 2.350 584 V HA 0.766 4.886 4.120 -0.000 0.000 0.285 584 V C -0.425 175.762 176.094 0.155 0.000 1.014 584 V CA -0.810 61.561 62.300 0.118 0.000 0.831 584 V CB 1.214 33.076 31.823 0.065 0.000 1.000 584 V HN 0.808 nan 8.190 nan 0.000 0.433 585 A N 4.393 127.309 122.820 0.160 0.000 2.330 585 A HA 0.801 5.121 4.320 -0.000 0.000 0.313 585 A C -0.858 176.736 177.584 0.017 0.000 1.124 585 A CA -0.635 51.488 52.037 0.143 0.000 0.774 585 A CB 1.883 21.022 19.000 0.232 0.000 1.198 585 A HN 1.056 nan 8.150 nan 0.000 0.465 586 V N 4.233 124.129 119.914 -0.031 0.000 2.326 586 V HA 0.657 4.777 4.120 -0.000 0.000 0.281 586 V C 0.280 176.312 176.094 -0.103 0.000 1.015 586 V CA 0.439 62.613 62.300 -0.209 0.000 0.823 586 V CB 1.005 32.612 31.823 -0.359 0.000 1.009 586 V HN 1.230 nan 8.190 nan 0.000 0.436 587 T N 2.075 116.485 114.554 -0.239 0.000 2.881 587 T HA 0.343 4.692 4.350 -0.000 0.000 0.278 587 T C 0.090 174.260 174.700 -0.885 0.000 0.982 587 T CA -0.503 61.376 62.100 -0.368 0.000 0.989 587 T CB 1.411 70.147 68.868 -0.219 0.000 1.058 587 T HN 0.679 nan 8.240 nan 0.000 0.529 588 D N 0.416 120.105 120.400 -1.185 0.000 2.455 588 D HA 0.186 4.826 4.640 -0.000 0.000 0.234 588 D C 1.670 177.591 176.300 -0.632 0.000 1.224 588 D CA 0.226 53.386 54.000 -1.400 0.000 0.999 588 D CB -0.017 40.183 40.800 -1.001 0.000 1.072 588 D HN 0.786 nan 8.370 nan 0.000 0.514 589 G N 3.900 112.414 108.800 -0.476 0.000 2.656 589 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.223 589 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.223 589 G C 1.227 175.948 174.900 -0.298 0.000 1.130 589 G CA 0.845 45.769 45.100 -0.293 0.000 0.758 589 G HN 0.449 nan 8.290 nan 0.000 0.608 590 D N -0.542 119.722 120.400 -0.226 0.000 2.263 590 D HA 0.004 4.644 4.640 -0.000 0.000 0.208 590 D C 2.192 178.379 176.300 -0.188 0.000 0.971 590 D CA 0.921 54.815 54.000 -0.178 0.000 0.867 590 D CB -0.005 40.737 40.800 -0.097 0.000 0.929 590 D HN 0.461 nan 8.370 nan 0.000 0.492 591 K N -0.226 120.049 120.400 -0.209 0.000 2.354 591 K HA -0.008 4.311 4.320 -0.000 0.000 0.194 591 K C 0.690 177.170 176.600 -0.201 0.000 1.045 591 K CA 0.105 56.282 56.287 -0.182 0.000 1.026 591 K CB 0.529 32.931 32.500 -0.163 0.000 0.866 591 K HN -0.129 nan 8.250 nan 0.000 0.530 592 D N 0.639 120.893 120.400 -0.242 0.000 2.087 592 D HA -0.123 4.516 4.640 -0.000 0.000 0.210 592 D C 1.038 177.215 176.300 -0.206 0.000 0.973 592 D CA 1.850 55.724 54.000 -0.210 0.000 0.882 592 D CB -0.543 40.150 40.800 -0.179 0.000 1.019 592 D HN 0.216 nan 8.370 nan 0.000 0.450 593 T N -0.533 113.810 114.554 -0.351 0.000 3.722 593 T HA -0.019 4.330 4.350 -0.000 0.000 0.247 593 T C 0.741 175.238 174.700 -0.338 0.000 1.004 593 T CA -0.003 61.864 62.100 -0.389 0.000 0.947 593 T CB -0.653 67.797 68.868 -0.697 0.000 1.114 593 T HN 0.125 nan 8.240 nan 0.000 0.633 594 E N 0.465 120.494 120.200 -0.285 0.000 2.352 594 E HA 0.192 4.541 4.350 -0.000 0.000 0.197 594 E C 1.267 177.655 176.600 -0.354 0.000 1.224 594 E CA 0.088 56.333 56.400 -0.258 0.000 1.118 594 E CB -0.856 28.735 29.700 -0.182 0.000 1.198 594 E HN 0.797 nan 8.360 nan 0.000 0.454 595 G N 0.092 108.549 108.800 -0.573 0.000 4.251 595 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.147 595 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.147 595 G C -0.352 174.080 174.900 -0.780 0.000 1.014 595 G CA -0.055 44.580 45.100 -0.775 0.000 0.831 595 G HN 0.426 nan 8.290 nan 0.000 0.539 607 A N 0.249 123.063 122.820 -0.009 0.000 2.508 607 A HA 0.152 4.472 4.320 -0.000 0.000 0.250 607 A C 0.790 178.466 177.584 0.154 0.000 1.208 607 A CA -0.047 52.012 52.037 0.038 0.000 0.960 607 A CB 0.370 19.338 19.000 -0.053 0.000 1.099 607 A HN 0.422 nan 8.150 nan 0.000 0.542 608 Q N -1.189 118.780 119.800 0.282 0.000 2.287 608 Q HA 0.137 4.477 4.340 -0.000 0.000 0.201 608 Q C 0.584 176.807 176.000 0.372 0.000 0.946 608 Q CA 0.767 56.779 55.803 0.347 0.000 0.868 608 Q CB -0.563 28.393 28.738 0.364 0.000 0.967 608 Q HN 0.430 nan 8.270 nan 0.000 0.516 609 c N 2.444 121.222 118.600 0.296 0.000 2.185 609 c HA 0.554 5.123 4.570 -0.000 0.000 0.357 609 c C 1.309 175.491 174.090 0.153 0.000 1.053 609 c CA -0.794 55.655 56.329 0.199 0.000 1.552 609 c CB -0.892 41.658 42.510 0.068 0.000 1.679 609 c HN 0.553 nan 8.230 nan 0.000 0.453 610 G N 2.644 111.600 108.800 0.261 0.000 3.262 610 G HA2 0.043 4.003 3.960 -0.000 0.000 0.222 610 G HA3 0.043 4.003 3.960 -0.000 0.000 0.222 610 G C 1.284 176.232 174.900 0.079 0.000 1.269 610 G CA 0.296 45.526 45.100 0.216 0.000 1.032 610 G HN 0.627 nan 8.290 nan 0.000 0.502 611 V N 0.177 120.033 119.914 -0.097 0.000 2.418 611 V HA -0.260 3.860 4.120 -0.000 0.000 0.258 611 V C 1.688 177.836 176.094 0.090 0.000 1.088 611 V CA 1.781 63.957 62.300 -0.206 0.000 1.091 611 V CB -0.590 31.109 31.823 -0.207 0.000 0.669 611 V HN 0.717 nan 8.190 nan 0.000 0.461 612 H N -1.546 117.438 119.070 -0.144 0.000 2.472 612 H HA 0.428 4.984 4.556 -0.000 0.000 0.287 612 H C 1.537 176.654 175.328 -0.352 0.000 1.112 612 H CA 0.342 56.134 56.048 -0.426 0.000 1.021 612 H CB 0.450 29.941 29.762 -0.452 0.000 1.635 612 H HN 0.477 nan 8.280 nan 0.000 0.559 613 G N 1.656 110.610 108.800 0.256 0.000 2.195 613 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.224 613 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.224 613 G C 0.002 175.050 174.900 0.247 0.000 0.990 613 G CA -0.491 44.836 45.100 0.378 0.000 0.639 613 G HN 0.458 nan 8.290 nan 0.000 0.514 614 E N 1.284 121.585 120.200 0.170 0.000 2.383 614 E HA 0.464 4.813 4.350 -0.000 0.000 0.257 614 E C 0.854 177.540 176.600 0.143 0.000 1.079 614 E CA 0.183 56.656 56.400 0.121 0.000 0.934 614 E CB 0.774 30.521 29.700 0.080 0.000 0.978 614 E HN 0.771 nan 8.360 nan 0.000 0.462 615 A N 4.385 127.254 122.820 0.082 0.000 2.537 615 A HA -0.098 4.222 4.320 -0.000 0.000 0.260 615 A C -0.395 177.142 177.584 -0.079 0.000 1.082 615 A CA -0.092 51.940 52.037 -0.008 0.000 0.765 615 A CB -0.284 18.636 19.000 -0.133 0.000 1.019 615 A HN 0.626 nan 8.150 nan 0.000 0.507 616 Y N 6.263 126.507 120.300 -0.094 0.000 2.805 616 Y HA 0.057 4.607 4.550 -0.000 0.000 0.331 616 Y C -1.028 174.762 175.900 -0.182 0.000 1.241 616 Y CA -0.637 57.434 58.100 -0.049 0.000 1.546 616 Y CB 0.654 39.122 38.460 0.013 0.000 1.248 616 Y HN 0.607 nan 8.280 nan 0.000 0.559 617 P HA -0.120 nan 4.420 nan 0.000 0.220 617 P C -0.043 177.273 177.300 0.027 0.000 1.152 617 P CA 0.930 63.962 63.100 -0.113 0.000 0.812 617 P CB 0.247 31.963 31.700 0.028 0.000 0.792 618 D N -0.265 120.039 120.400 -0.161 0.000 2.304 618 D HA 0.061 4.701 4.640 -0.000 0.000 0.247 618 D C 0.788 177.142 176.300 0.090 0.000 1.089 618 D CA -0.193 53.823 54.000 0.026 0.000 0.910 618 D CB 0.499 41.292 40.800 -0.011 0.000 1.199 618 D HN -0.205 nan 8.370 nan 0.000 0.426 619 N N 1.702 120.443 118.700 0.068 0.000 2.348 619 N HA 0.016 4.755 4.740 -0.000 0.000 0.183 619 N C 0.119 175.639 175.510 0.017 0.000 1.094 619 N CA -0.115 52.982 53.050 0.079 0.000 0.885 619 N CB 0.275 38.786 38.487 0.040 0.000 1.065 619 N HN 0.212 nan 8.380 nan 0.000 0.472 620 R N 2.078 122.526 120.500 -0.087 0.000 2.758 620 R HA 0.112 4.452 4.340 -0.000 0.000 0.263 620 R C -1.730 174.580 176.300 0.017 0.000 1.010 620 R CA -1.126 54.856 56.100 -0.197 0.000 1.114 620 R CB -0.452 29.540 30.300 -0.513 0.000 0.985 620 R HN 0.175 nan 8.270 nan 0.000 0.439 621 P HA 0.040 nan 4.420 nan 0.000 0.288 621 P C -0.652 176.690 177.300 0.070 0.000 1.291 621 P CA -0.249 62.938 63.100 0.144 0.000 0.766 621 P CB 0.452 32.290 31.700 0.230 0.000 1.242 622 L N -0.652 120.557 121.223 -0.025 0.000 2.265 622 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 622 L C 1.242 177.769 176.870 -0.573 0.000 1.033 622 L CA 0.952 55.533 54.840 -0.430 0.000 0.814 622 L CB 0.349 41.981 42.059 -0.711 0.000 1.203 622 L HN 0.830 nan 8.230 nan 0.000 0.423 623 G N 2.079 110.541 108.800 -0.563 0.000 2.159 623 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.170 623 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.170 623 G C -0.070 174.821 174.900 -0.015 0.000 1.007 623 G CA -0.662 44.308 45.100 -0.217 0.000 0.672 623 G HN 0.446 nan 8.290 nan 0.000 0.507 624 Y N 2.497 122.798 120.300 0.000 0.000 2.805 624 Y HA 0.391 4.941 4.550 -0.000 0.000 0.331 624 Y C -1.472 174.480 175.900 0.088 0.000 1.241 624 Y CA -0.035 58.095 58.100 0.050 0.000 1.546 624 Y CB 1.131 39.615 38.460 0.039 0.000 1.248 624 Y HN 0.082 nan 8.280 nan 0.000 0.559 625 P HA 0.171 nan 4.420 nan 0.000 0.263 625 P C -0.174 176.959 177.300 -0.278 0.000 1.821 625 P CA 0.291 62.951 63.100 -0.733 0.000 1.186 625 P CB 0.057 31.092 31.700 -1.107 0.000 1.623 626 L N 0.302 121.370 121.223 -0.258 0.000 2.667 626 L HA 0.147 4.487 4.340 -0.000 0.000 0.232 626 L C 1.965 178.844 176.870 0.015 0.000 1.138 626 L CA 0.235 54.957 54.840 -0.197 0.000 0.921 626 L CB -0.188 41.611 42.059 -0.432 0.000 1.180 626 L HN 0.080 nan 8.230 nan 0.000 0.487 627 E N 1.369 121.630 120.200 0.102 0.000 2.502 627 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 627 E C 0.657 177.367 176.600 0.182 0.000 1.062 627 E CA 0.106 56.668 56.400 0.270 0.000 0.867 627 E CB 0.375 30.252 29.700 0.295 0.000 0.888 627 E HN 0.373 nan 8.360 nan 0.000 0.510 628 R N 0.593 121.141 120.500 0.080 0.000 2.778 628 R HA 0.370 4.710 4.340 -0.000 0.000 0.277 628 R C -0.227 176.037 176.300 -0.060 0.000 0.977 628 R CA -0.828 55.240 56.100 -0.053 0.000 0.950 628 R CB 1.420 31.578 30.300 -0.238 0.000 1.165 628 R HN -0.087 nan 8.270 nan 0.000 0.474 629 R N 2.464 122.897 120.500 -0.112 0.000 2.566 629 R HA -0.001 4.339 4.340 -0.000 0.000 0.273 629 R C -0.200 176.066 176.300 -0.056 0.000 0.981 629 R CA 0.835 56.876 56.100 -0.099 0.000 1.091 629 R CB 0.167 30.398 30.300 -0.114 0.000 0.924 629 R HN 0.485 nan 8.270 nan 0.000 0.411 630 I N 5.664 126.211 120.570 -0.038 0.000 2.668 630 I HA 0.153 4.322 4.170 -0.000 0.000 0.276 630 I C -1.736 174.374 176.117 -0.011 0.000 1.139 630 I CA -1.954 59.339 61.300 -0.011 0.000 1.133 630 I CB 1.676 39.671 38.000 -0.008 0.000 1.327 630 I HN 0.372 nan 8.210 nan 0.000 0.520 631 P HA -0.084 nan 4.420 nan 0.000 0.215 631 P C -0.209 177.095 177.300 0.007 0.000 1.157 631 P CA 1.269 64.364 63.100 -0.009 0.000 0.859 631 P CB 0.013 31.705 31.700 -0.013 0.000 0.786 632 D N -1.134 119.279 120.400 0.021 0.000 2.549 632 D HA 0.068 4.707 4.640 -0.000 0.000 0.251 632 D C 0.489 176.818 176.300 0.048 0.000 1.153 632 D CA -0.864 53.156 54.000 0.033 0.000 0.861 632 D CB 1.008 41.828 40.800 0.033 0.000 1.207 632 D HN -0.016 nan 8.370 nan 0.000 0.543 633 E N 2.579 122.812 120.200 0.055 0.000 2.265 633 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 633 E C 1.619 178.275 176.600 0.094 0.000 0.996 633 E CA 0.531 56.977 56.400 0.077 0.000 0.832 633 E CB 0.138 29.889 29.700 0.086 0.000 0.756 633 E HN 0.439 nan 8.360 nan 0.000 0.491 634 R N -0.383 120.164 120.500 0.078 0.000 2.178 634 R HA -0.224 4.116 4.340 -0.000 0.000 0.257 634 R C 1.967 178.324 176.300 0.095 0.000 1.163 634 R CA 1.907 58.054 56.100 0.079 0.000 0.981 634 R CB -0.175 30.161 30.300 0.060 0.000 0.878 634 R HN 0.136 nan 8.270 nan 0.000 0.454 635 V N -0.337 119.636 119.914 0.098 0.000 2.331 635 V HA -0.157 3.963 4.120 -0.000 0.000 0.242 635 V C 2.002 178.165 176.094 0.115 0.000 1.034 635 V CA 1.311 63.680 62.300 0.115 0.000 1.027 635 V CB -0.396 31.489 31.823 0.103 0.000 0.667 635 V HN 0.160 nan 8.190 nan 0.000 0.457 636 I N 0.960 121.596 120.570 0.108 0.000 2.185 636 I HA -0.280 3.889 4.170 -0.000 0.000 0.246 636 I C 2.028 178.231 176.117 0.143 0.000 1.088 636 I CA 1.647 63.019 61.300 0.120 0.000 1.347 636 I CB -0.776 37.314 38.000 0.150 0.000 1.041 636 I HN 0.289 nan 8.210 nan 0.000 0.415 637 D N 0.050 120.544 120.400 0.157 0.000 2.354 637 D HA -0.088 4.551 4.640 -0.000 0.000 0.216 637 D C 1.832 178.204 176.300 0.120 0.000 0.970 637 D CA 1.343 55.431 54.000 0.147 0.000 0.905 637 D CB -0.268 40.614 40.800 0.137 0.000 0.903 637 D HN 0.447 nan 8.370 nan 0.000 0.508 638 G N -0.297 108.585 108.800 0.138 0.000 3.969 638 G HA2 0.295 4.255 3.960 -0.000 0.000 0.291 638 G HA3 0.295 4.255 3.960 -0.000 0.000 0.291 638 G C 0.008 175.041 174.900 0.221 0.000 1.016 638 G CA -0.099 45.103 45.100 0.170 0.000 0.819 638 G HN 0.181 nan 8.290 nan 0.000 0.493 639 V N -0.444 119.526 119.914 0.092 0.000 2.435 639 V HA 0.620 4.740 4.120 -0.000 0.000 0.290 639 V C 1.292 177.410 176.094 0.040 0.000 1.030 639 V CA 0.307 62.590 62.300 -0.029 0.000 0.881 639 V CB 1.392 33.128 31.823 -0.145 0.000 0.983 639 V HN 0.236 nan 8.190 nan 0.000 0.445 640 S N 3.295 119.022 115.700 0.045 0.000 2.382 640 S HA -0.218 4.252 4.470 -0.000 0.000 0.228 640 S C 1.211 175.833 174.600 0.037 0.000 1.027 640 S CA 1.544 59.767 58.200 0.040 0.000 0.991 640 S CB -1.056 62.158 63.200 0.023 0.000 0.823 640 S HN 1.046 nan 8.310 nan 0.000 0.469 641 N N 0.947 119.674 118.700 0.045 0.000 2.413 641 N HA 0.233 4.973 4.740 -0.000 0.000 0.207 641 N C -0.292 175.263 175.510 0.075 0.000 1.206 641 N CA -0.097 52.996 53.050 0.072 0.000 0.832 641 N CB -0.148 38.427 38.487 0.146 0.000 1.037 641 N HN 0.437 nan 8.380 nan 0.000 0.467 642 I N 0.151 120.766 120.570 0.074 0.000 2.582 642 I HA 0.366 4.536 4.170 -0.000 0.000 0.292 642 I C -0.671 175.494 176.117 0.081 0.000 1.066 642 I CA -0.904 60.460 61.300 0.106 0.000 1.053 642 I CB 2.253 40.332 38.000 0.132 0.000 1.241 642 I HN -0.096 nan 8.210 nan 0.000 0.421 643 K N 4.319 124.755 120.400 0.059 0.000 2.557 643 K HA 0.454 4.774 4.320 -0.000 0.000 0.261 643 K C -1.553 174.981 176.600 -0.110 0.000 0.932 643 K CA -0.806 55.471 56.287 -0.016 0.000 0.829 643 K CB 1.707 34.206 32.500 -0.002 0.000 1.358 643 K HN 0.756 nan 8.250 nan 0.000 0.430 644 H N 0.080 118.982 119.070 -0.279 0.000 2.667 644 H HA 0.812 5.368 4.556 -0.000 0.000 0.353 644 H C -1.506 173.697 175.328 -0.208 0.000 1.072 644 H CA -0.924 54.838 56.048 -0.476 0.000 1.214 644 H CB 1.766 30.929 29.762 -0.997 0.000 1.600 644 H HN 0.134 nan 8.280 nan 0.000 0.527 645 V N 4.914 124.802 119.914 -0.044 0.000 2.760 645 V HA 0.452 4.572 4.120 -0.000 0.000 0.309 645 V C -0.585 175.558 176.094 0.083 0.000 1.077 645 V CA -0.739 61.557 62.300 -0.007 0.000 0.910 645 V CB 2.006 33.826 31.823 -0.006 0.000 1.008 645 V HN 0.970 nan 8.190 nan 0.000 0.424 646 V N 7.723 127.690 119.914 0.087 0.000 2.530 646 V HA 0.772 4.892 4.120 -0.000 0.000 0.282 646 V C -0.140 176.001 176.094 0.078 0.000 1.048 646 V CA 0.472 62.834 62.300 0.104 0.000 0.997 646 V CB 1.328 33.205 31.823 0.090 0.000 0.987 646 V HN 1.094 nan 8.190 nan 0.000 0.477 647 V N 2.838 122.810 119.914 0.096 0.000 3.267 647 V HA 0.759 4.879 4.120 -0.000 0.000 0.317 647 V C -0.248 175.878 176.094 0.053 0.000 1.131 647 V CA -1.019 61.326 62.300 0.075 0.000 1.031 647 V CB 1.657 33.532 31.823 0.088 0.000 1.159 647 V HN 1.179 nan 8.190 nan 0.000 0.454 648 K N 0.684 121.100 120.400 0.027 0.000 2.535 648 K HA 0.646 4.966 4.320 -0.000 0.000 0.251 648 K C -1.980 174.622 176.600 0.004 0.000 0.942 648 K CA -0.668 55.616 56.287 -0.004 0.000 0.798 648 K CB 2.186 34.670 32.500 -0.025 0.000 1.267 648 K HN 0.831 nan 8.250 nan 0.000 0.434 649 I N 4.205 124.805 120.570 0.050 0.000 2.433 649 I HA 0.397 4.567 4.170 -0.000 0.000 0.292 649 I C -0.602 175.523 176.117 0.013 0.000 1.001 649 I CA -1.215 60.105 61.300 0.033 0.000 1.119 649 I CB 2.006 40.083 38.000 0.128 0.000 1.289 649 I HN 0.252 nan 8.210 nan 0.000 0.438 650 V N 4.023 123.918 119.914 -0.032 0.000 2.680 650 V HA 0.353 4.472 4.120 -0.000 0.000 0.309 650 V C -0.853 175.238 176.094 -0.006 0.000 1.052 650 V CA -0.819 61.478 62.300 -0.004 0.000 0.908 650 V CB 1.858 33.676 31.823 -0.008 0.000 1.001 650 V HN 0.620 nan 8.190 nan 0.000 0.431 651 H N 2.290 121.331 119.070 -0.048 0.000 2.595 651 H HA 0.462 5.018 4.556 -0.000 0.000 0.313 651 H C -0.292 175.101 175.328 0.109 0.000 1.023 651 H CA -0.450 55.574 56.048 -0.041 0.000 1.218 651 H CB 0.363 30.094 29.762 -0.052 0.000 1.403 651 H HN 0.774 nan 8.280 nan 0.000 0.477 652 H N 5.003 123.957 119.070 -0.192 0.000 2.742 652 H HA 0.094 4.650 4.556 -0.000 0.000 0.302 652 H C 0.057 175.141 175.328 -0.406 0.000 1.069 652 H CA -0.711 55.217 56.048 -0.200 0.000 1.446 652 H CB 1.167 30.907 29.762 -0.037 0.000 1.462 652 H HN 0.385 nan 8.280 nan 0.000 0.499 653 L N 0.000 121.124 121.223 -0.166 0.000 2.949 653 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 653 L CA 0.000 54.759 54.840 -0.134 0.000 0.813 653 L CB 0.000 42.024 42.059 -0.059 0.000 0.961 653 L HN 0.000 nan 8.230 nan 0.000 0.502