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 3p4r_1_M DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.330 176.300 0.049 0.000 1.140 0 M CA 0.000 55.322 55.300 0.036 0.000 0.988 0 M CB 0.000 32.614 32.600 0.023 0.000 1.302 1 Q N 1.912 121.760 119.800 0.080 0.000 2.394 1 Q HA 0.701 5.038 4.340 -0.005 0.000 0.273 1 Q C -1.236 174.856 176.000 0.154 0.000 1.089 1 Q CA -0.264 55.605 55.803 0.110 0.000 0.812 1 Q CB 2.706 31.546 28.738 0.169 0.000 1.353 1 Q HN 0.828 nan 8.270 nan 0.000 0.438 2 T N -0.628 113.992 114.554 0.110 0.000 2.885 2 T HA 0.772 5.119 4.350 -0.005 0.000 0.285 2 T C -0.830 173.943 174.700 0.121 0.000 1.019 2 T CA -0.295 61.883 62.100 0.129 0.000 1.010 2 T CB 0.698 69.591 68.868 0.041 0.000 1.022 2 T HN 0.303 nan 8.240 nan 0.000 0.466 3 F N 0.553 120.497 119.950 -0.009 0.000 2.620 3 F HA 0.644 5.170 4.527 -0.002 0.000 0.320 3 F C -0.417 175.384 175.800 0.002 0.000 1.069 3 F CA -0.908 57.102 58.000 0.018 0.000 0.953 3 F CB 2.636 41.665 39.000 0.048 0.000 1.322 3 F HN 0.456 nan 8.300 nan 0.000 0.479 4 Q N 1.517 121.424 119.800 0.178 0.000 2.327 4 Q HA 0.776 5.113 4.340 -0.005 0.000 0.270 4 Q C -1.157 174.909 176.000 0.111 0.000 1.022 4 Q CA -0.573 55.288 55.803 0.097 0.000 0.773 4 Q CB 2.060 30.820 28.738 0.037 0.000 1.251 4 Q HN 0.697 nan 8.270 nan 0.000 0.457 5 A N 1.782 124.651 122.820 0.082 0.000 2.515 5 A HA 0.671 4.988 4.320 -0.005 0.000 0.296 5 A C -0.491 177.118 177.584 0.042 0.000 1.094 5 A CA -0.671 51.408 52.037 0.070 0.000 0.718 5 A CB 1.188 20.227 19.000 0.066 0.000 1.307 5 A HN 0.580 nan 8.150 nan 0.000 0.408 6 D N 0.201 120.621 120.400 0.033 0.000 2.214 6 D HA 0.114 4.751 4.640 -0.005 0.000 0.217 6 D C 0.336 176.643 176.300 0.011 0.000 0.973 6 D CA 1.225 55.237 54.000 0.020 0.000 0.880 6 D CB -0.079 40.727 40.800 0.011 0.000 1.031 6 D HN 0.415 nan 8.370 nan 0.000 0.468 7 L N 0.734 121.955 121.223 -0.002 0.000 2.322 7 L HA 0.623 4.960 4.340 -0.005 0.000 0.281 7 L C -0.544 176.317 176.870 -0.014 0.000 1.014 7 L CA -0.955 53.871 54.840 -0.023 0.000 0.815 7 L CB 1.986 44.012 42.059 -0.056 0.000 1.247 7 L HN -0.101 nan 8.230 nan 0.000 0.421 8 A N 5.193 128.001 122.820 -0.019 0.000 2.285 8 A HA 0.714 5.031 4.320 -0.005 0.000 0.310 8 A C -0.595 176.972 177.584 -0.028 0.000 1.266 8 A CA -0.378 51.640 52.037 -0.032 0.000 0.832 8 A CB 0.374 19.342 19.000 -0.053 0.000 1.163 8 A HN 0.670 nan 8.150 nan 0.000 0.499 9 I N 3.097 123.653 120.570 -0.023 0.000 2.312 9 I HA 0.224 4.391 4.170 -0.005 0.000 0.290 9 I C -0.325 175.783 176.117 -0.016 0.000 1.008 9 I CA -0.601 60.690 61.300 -0.014 0.000 1.226 9 I CB 1.761 39.756 38.000 -0.008 0.000 1.371 9 I HN 0.291 nan 8.210 nan 0.000 0.468 10 V N 6.515 126.418 119.914 -0.019 0.000 2.389 10 V HA 0.663 4.780 4.120 -0.005 0.000 0.264 10 V C 0.626 176.704 176.094 -0.027 0.000 1.049 10 V CA -0.058 62.222 62.300 -0.033 0.000 0.932 10 V CB 0.249 32.051 31.823 -0.034 0.000 1.011 10 V HN 1.056 nan 8.190 nan 0.000 0.475 11 G N 4.325 113.106 108.800 -0.032 0.000 3.069 11 G HA2 0.335 4.292 3.960 -0.005 0.000 0.686 11 G HA3 0.335 4.292 3.960 -0.005 0.000 0.686 11 G C -0.458 174.443 174.900 0.001 0.000 1.161 11 G CA -0.402 44.681 45.100 -0.029 0.000 0.804 11 G HN 1.460 nan 8.290 nan 0.000 0.608 12 A N 1.744 124.565 122.820 0.001 0.000 3.064 12 A HA 0.868 5.185 4.320 -0.005 0.000 0.339 12 A C 1.001 178.599 177.584 0.023 0.000 1.078 12 A CA 0.916 52.970 52.037 0.028 0.000 0.869 12 A CB 0.175 19.197 19.000 0.037 0.000 1.067 12 A HN 2.128 nan 8.150 nan 0.000 0.480 13 G N 0.047 108.870 108.800 0.039 0.000 2.736 13 G HA2 0.463 4.420 3.960 -0.005 0.000 0.229 13 G HA3 0.463 4.420 3.960 -0.005 0.000 0.229 13 G C 1.078 176.026 174.900 0.080 0.000 1.380 13 G CA 0.153 45.285 45.100 0.053 0.000 1.040 13 G HN 0.729 nan 8.290 nan 0.000 0.568 14 G N -0.113 108.746 108.800 0.099 0.000 2.440 14 G HA2 0.039 3.997 3.960 -0.005 0.000 0.218 14 G HA3 0.039 3.997 3.960 -0.005 0.000 0.218 14 G C 1.914 176.892 174.900 0.130 0.000 1.154 14 G CA 2.021 47.195 45.100 0.123 0.000 0.767 14 G HN 0.897 nan 8.290 nan 0.000 0.552 15 A N 0.917 123.809 122.820 0.119 0.000 1.855 15 A HA 0.201 4.518 4.320 -0.005 0.000 0.215 15 A C 2.777 180.418 177.584 0.095 0.000 1.191 15 A CA 2.086 54.194 52.037 0.118 0.000 0.613 15 A CB -1.267 17.801 19.000 0.112 0.000 0.829 15 A HN 0.577 nan 8.150 nan 0.000 0.442 16 G N -0.201 108.644 108.800 0.074 0.000 2.469 16 G HA2 -0.178 3.779 3.960 -0.005 0.000 0.219 16 G HA3 -0.178 3.779 3.960 -0.005 0.000 0.219 16 G C 1.368 176.306 174.900 0.064 0.000 1.150 16 G CA 1.415 46.549 45.100 0.057 0.000 0.763 16 G HN 0.330 nan 8.290 nan 0.000 0.561 17 L N 0.229 121.506 121.223 0.090 0.000 2.005 17 L HA 0.086 4.423 4.340 -0.005 0.000 0.207 17 L C 2.767 179.698 176.870 0.102 0.000 1.072 17 L CA 1.410 56.312 54.840 0.103 0.000 0.744 17 L CB -1.121 41.025 42.059 0.145 0.000 0.895 17 L HN 0.108 nan 8.230 nan 0.000 0.433 18 R N 0.207 120.788 120.500 0.135 0.000 2.103 18 R HA -0.155 4.182 4.340 -0.005 0.000 0.242 18 R C 2.169 178.521 176.300 0.085 0.000 1.142 18 R CA 1.752 57.942 56.100 0.150 0.000 0.960 18 R CB -0.878 29.510 30.300 0.147 0.000 0.858 18 R HN 0.377 nan 8.270 nan 0.000 0.439 19 A N -0.247 122.606 122.820 0.055 0.000 1.902 19 A HA -0.022 4.296 4.320 -0.005 0.000 0.217 19 A C 2.333 179.900 177.584 -0.028 0.000 1.181 19 A CA 1.812 53.853 52.037 0.007 0.000 0.623 19 A CB -0.990 18.011 19.000 0.001 0.000 0.818 19 A HN 0.446 nan 8.150 nan 0.000 0.443 20 A N -0.311 122.498 122.820 -0.019 0.000 1.969 20 A HA 0.010 4.327 4.320 -0.005 0.000 0.218 20 A C 2.045 179.557 177.584 -0.120 0.000 1.169 20 A CA 1.466 53.473 52.037 -0.048 0.000 0.635 20 A CB -0.533 18.459 19.000 -0.013 0.000 0.810 20 A HN 0.517 nan 8.150 nan 0.000 0.445 21 I N -0.715 119.786 120.570 -0.115 0.000 2.480 21 I HA -0.077 4.090 4.170 -0.005 0.000 0.251 21 I C 2.750 178.738 176.117 -0.215 0.000 1.124 21 I CA 0.810 61.950 61.300 -0.265 0.000 1.444 21 I CB -0.244 37.664 38.000 -0.154 0.000 1.098 21 I HN 0.269 nan 8.210 nan 0.000 0.428 22 A N 0.944 123.730 122.820 -0.057 0.000 2.067 22 A HA 0.000 4.317 4.320 -0.005 0.000 0.219 22 A C 2.488 180.020 177.584 -0.087 0.000 1.158 22 A CA 1.565 53.579 52.037 -0.038 0.000 0.661 22 A CB -0.534 18.466 19.000 -0.000 0.000 0.801 22 A HN 0.409 nan 8.150 nan 0.000 0.452 23 A N -0.092 122.660 122.820 -0.113 0.000 1.872 23 A HA 0.280 4.597 4.320 -0.005 0.000 0.214 23 A C 2.475 179.982 177.584 -0.128 0.000 1.187 23 A CA 1.640 53.611 52.037 -0.110 0.000 0.614 23 A CB -0.950 17.989 19.000 -0.100 0.000 0.826 23 A HN 0.951 nan 8.150 nan 0.000 0.442 24 A N -0.441 122.250 122.820 -0.216 0.000 1.933 24 A HA -0.187 4.130 4.320 -0.005 0.000 0.218 24 A C 2.065 179.532 177.584 -0.197 0.000 1.175 24 A CA 1.518 53.409 52.037 -0.244 0.000 0.628 24 A CB -0.531 18.180 19.000 -0.482 0.000 0.814 24 A HN 0.640 nan 8.150 nan 0.000 0.444 25 Q N -0.819 118.835 119.800 -0.243 0.000 2.369 25 Q HA 0.028 4.365 4.340 -0.005 0.000 0.206 25 Q C 2.189 178.175 176.000 -0.024 0.000 0.963 25 Q CA 0.969 56.722 55.803 -0.084 0.000 0.894 25 Q CB -0.207 28.503 28.738 -0.046 0.000 0.965 25 Q HN 0.700 nan 8.270 nan 0.000 0.475 26 A N 1.127 123.921 122.820 -0.044 0.000 1.887 26 A HA 0.001 4.318 4.320 -0.005 0.000 0.212 26 A C 0.759 178.335 177.584 -0.014 0.000 1.198 26 A CA 0.578 52.601 52.037 -0.023 0.000 0.628 26 A CB 0.196 19.176 19.000 -0.034 0.000 0.847 26 A HN 0.163 nan 8.150 nan 0.000 0.449 27 N N -0.658 118.029 118.700 -0.021 0.000 2.623 27 N HA 0.419 5.156 4.740 -0.005 0.000 0.256 27 N C -2.483 173.031 175.510 0.006 0.000 1.045 27 N CA -1.672 51.374 53.050 -0.007 0.000 0.863 27 N CB 1.797 40.277 38.487 -0.012 0.000 1.182 27 N HN -0.116 nan 8.380 nan 0.000 0.523 28 P HA -0.128 nan 4.420 nan 0.000 0.217 28 P C 0.261 177.582 177.300 0.036 0.000 1.148 28 P CA 1.151 64.275 63.100 0.040 0.000 0.828 28 P CB 0.279 32.003 31.700 0.039 0.000 0.783 29 N N -0.826 117.889 118.700 0.025 0.000 2.376 29 N HA 0.209 4.946 4.740 -0.005 0.000 0.249 29 N C -0.630 174.894 175.510 0.023 0.000 1.140 29 N CA -0.408 52.657 53.050 0.025 0.000 0.870 29 N CB -0.544 37.955 38.487 0.020 0.000 1.124 29 N HN -0.121 nan 8.380 nan 0.000 0.505 30 A N 0.709 123.541 122.820 0.021 0.000 2.409 30 A HA 0.210 4.527 4.320 -0.005 0.000 0.262 30 A C 0.490 178.094 177.584 0.033 0.000 1.113 30 A CA -0.295 51.752 52.037 0.017 0.000 0.790 30 A CB 0.354 19.353 19.000 -0.001 0.000 1.046 30 A HN 0.153 nan 8.150 nan 0.000 0.496 31 K N 4.142 124.566 120.400 0.041 0.000 2.231 31 K HA 0.330 4.647 4.320 -0.005 0.000 0.255 31 K C -0.991 175.646 176.600 0.061 0.000 1.108 31 K CA -0.001 56.325 56.287 0.065 0.000 0.997 31 K CB -0.309 32.240 32.500 0.083 0.000 1.549 31 K HN 0.680 nan 8.250 nan 0.000 0.419 32 I N 2.306 122.908 120.570 0.053 0.000 2.365 32 I HA 0.210 4.377 4.170 -0.005 0.000 0.291 32 I C 0.320 176.486 176.117 0.080 0.000 1.004 32 I CA -0.587 60.738 61.300 0.042 0.000 1.311 32 I CB 1.666 39.674 38.000 0.013 0.000 1.401 32 I HN 0.378 nan 8.210 nan 0.000 0.491 33 A N 7.365 130.231 122.820 0.077 0.000 2.316 33 A HA 0.572 4.889 4.320 -0.005 0.000 0.324 33 A C -0.797 176.845 177.584 0.096 0.000 1.375 33 A CA -0.469 51.651 52.037 0.139 0.000 0.882 33 A CB 0.394 19.437 19.000 0.072 0.000 1.152 33 A HN 0.604 nan 8.150 nan 0.000 0.512 34 L N 3.968 125.274 121.223 0.138 0.000 2.283 34 L HA 0.526 4.863 4.340 -0.005 0.000 0.287 34 L C -0.258 176.695 176.870 0.138 0.000 1.073 34 L CA -0.087 54.812 54.840 0.099 0.000 0.822 34 L CB 0.579 42.691 42.059 0.089 0.000 1.186 34 L HN 0.653 nan 8.230 nan 0.000 0.436 35 I N 3.930 124.543 120.570 0.071 0.000 2.404 35 I HA 0.623 4.790 4.170 -0.005 0.000 0.293 35 I C -0.689 175.434 176.117 0.010 0.000 0.992 35 I CA 0.039 61.384 61.300 0.076 0.000 1.149 35 I CB 1.638 39.629 38.000 -0.015 0.000 1.315 35 I HN 0.638 nan 8.210 nan 0.000 0.446 36 S N 5.422 121.117 115.700 -0.007 0.000 2.569 36 S HA 0.397 4.864 4.470 -0.005 0.000 0.280 36 S C 0.436 174.953 174.600 -0.139 0.000 1.111 36 S CA -0.802 57.348 58.200 -0.083 0.000 0.887 36 S CB 1.812 64.968 63.200 -0.074 0.000 1.095 36 S HN 0.824 nan 8.310 nan 0.000 0.476 37 K N 1.306 121.573 120.400 -0.220 0.000 2.366 37 K HA 0.142 4.459 4.320 -0.005 0.000 0.198 37 K C 0.679 177.157 176.600 -0.203 0.000 1.044 37 K CA 0.762 56.882 56.287 -0.277 0.000 0.973 37 K CB -0.441 31.726 32.500 -0.555 0.000 0.767 37 K HN 0.480 nan 8.250 nan 0.000 0.475 38 V N -2.361 117.454 119.914 -0.164 0.000 3.102 38 V HA 0.391 4.508 4.120 -0.005 0.000 0.312 38 V C -0.759 175.250 176.094 -0.141 0.000 1.135 38 V CA -1.664 60.571 62.300 -0.108 0.000 1.022 38 V CB 0.667 32.503 31.823 0.021 0.000 1.056 38 V HN 0.037 nan 8.190 nan 0.000 0.436 39 Y N 2.481 122.757 120.300 -0.041 0.000 2.729 39 Y HA 0.193 4.740 4.550 -0.005 0.000 0.331 39 Y C -1.092 174.708 175.900 -0.166 0.000 1.208 39 Y CA -0.659 57.390 58.100 -0.085 0.000 1.521 39 Y CB 0.088 38.496 38.460 -0.087 0.000 1.233 39 Y HN 0.510 nan 8.280 nan 0.000 0.539 40 P HA -0.344 nan 4.420 nan 0.000 0.219 40 P C 1.523 178.630 177.300 -0.322 0.000 1.153 40 P CA 2.045 65.045 63.100 -0.167 0.000 0.865 40 P CB -0.008 31.636 31.700 -0.095 0.000 0.788 41 M N -2.496 116.755 119.600 -0.582 0.000 2.619 41 M HA 0.024 4.501 4.480 -0.005 0.000 0.251 41 M C 1.030 177.200 176.300 -0.215 0.000 1.106 41 M CA 1.561 56.481 55.300 -0.634 0.000 1.086 41 M CB -0.759 31.166 32.600 -1.125 0.000 1.465 41 M HN -0.177 nan 8.290 nan 0.000 0.506 42 R N 1.465 121.901 120.500 -0.107 0.000 2.334 42 R HA 0.324 4.661 4.340 -0.005 0.000 0.220 42 R C 0.132 176.445 176.300 0.021 0.000 0.917 42 R CA 0.036 56.138 56.100 0.004 0.000 1.073 42 R CB -0.559 29.769 30.300 0.047 0.000 1.056 42 R HN 0.397 nan 8.270 nan 0.000 0.506 43 S N 0.348 116.045 115.700 -0.004 0.000 2.589 43 S HA -0.024 4.443 4.470 -0.005 0.000 0.265 43 S C 1.142 175.789 174.600 0.079 0.000 1.342 43 S CA -0.306 57.915 58.200 0.036 0.000 1.005 43 S CB 0.868 64.080 63.200 0.020 0.000 0.909 43 S HN 0.410 nan 8.310 nan 0.000 0.555 44 H N 1.181 120.263 119.070 0.020 0.000 2.495 44 H HA -0.030 4.523 4.556 -0.005 0.000 0.287 44 H C 1.742 177.103 175.328 0.054 0.000 1.033 44 H CA 1.781 57.850 56.048 0.035 0.000 1.307 44 H CB -0.332 29.437 29.762 0.012 0.000 1.401 44 H HN 0.633 nan 8.280 nan 0.000 0.555 45 T N -0.517 114.125 114.554 0.146 0.000 2.822 45 T HA -0.206 4.141 4.350 -0.005 0.000 0.270 45 T C 2.108 176.846 174.700 0.064 0.000 1.064 45 T CA 1.123 63.293 62.100 0.117 0.000 1.131 45 T CB -0.560 68.375 68.868 0.112 0.000 0.858 45 T HN 0.234 nan 8.240 nan 0.000 0.483 46 V N 1.265 121.203 119.914 0.040 0.000 2.490 46 V HA -0.076 4.042 4.120 -0.005 0.000 0.250 46 V C 2.442 178.565 176.094 0.049 0.000 1.061 46 V CA 1.796 64.139 62.300 0.071 0.000 1.064 46 V CB -0.741 31.152 31.823 0.117 0.000 0.670 46 V HN 0.554 nan 8.190 nan 0.000 0.461 47 A N -0.412 122.364 122.820 -0.074 0.000 2.238 47 A HA 0.553 4.870 4.320 -0.005 0.000 0.208 47 A C 1.250 178.834 177.584 -0.001 0.000 1.177 47 A CA 0.615 52.608 52.037 -0.074 0.000 0.804 47 A CB -0.578 18.243 19.000 -0.299 0.000 0.823 47 A HN 0.734 nan 8.150 nan 0.000 0.482 48 A N 0.338 123.174 122.820 0.027 0.000 2.492 48 A HA 0.420 4.737 4.320 -0.005 0.000 0.254 48 A C 0.602 178.233 177.584 0.079 0.000 1.091 48 A CA 0.317 52.395 52.037 0.068 0.000 0.768 48 A CB 0.074 19.125 19.000 0.084 0.000 1.028 48 A HN 0.507 nan 8.150 nan 0.000 0.498 49 E N 2.328 122.567 120.200 0.065 0.000 2.421 49 E HA 0.137 4.484 4.350 -0.005 0.000 0.209 49 E C 1.868 178.478 176.600 0.016 0.000 0.871 49 E CA 0.585 57.037 56.400 0.087 0.000 1.064 49 E CB -0.046 29.741 29.700 0.144 0.000 1.075 49 E HN 0.664 nan 8.360 nan 0.000 0.513 50 G N 1.091 109.799 108.800 -0.153 0.000 2.453 50 G HA2 0.248 4.205 3.960 -0.005 0.000 0.215 50 G HA3 0.248 4.205 3.960 -0.005 0.000 0.215 50 G C 0.843 175.420 174.900 -0.538 0.000 1.201 50 G CA 0.738 45.437 45.100 -0.669 0.000 0.784 50 G HN 0.565 nan 8.290 nan 0.000 0.545 51 G N -2.180 106.480 108.800 -0.233 0.000 2.359 51 G HA2 0.396 4.353 3.960 -0.005 0.000 0.303 51 G HA3 0.396 4.353 3.960 -0.005 0.000 0.303 51 G C -1.012 173.951 174.900 0.105 0.000 1.293 51 G CA 0.329 45.469 45.100 0.067 0.000 0.964 51 G HN 0.962 nan 8.290 nan 0.000 0.531 52 S N -1.059 114.809 115.700 0.281 0.000 2.538 52 S HA 0.869 5.336 4.470 -0.005 0.000 0.288 52 S C 0.148 174.877 174.600 0.214 0.000 1.108 52 S CA 0.636 58.975 58.200 0.231 0.000 0.971 52 S CB 1.259 64.609 63.200 0.250 0.000 1.041 52 S HN 2.129 nan 8.310 nan 0.000 0.483 53 A N 2.573 125.489 122.820 0.159 0.000 2.312 53 A HA 0.985 5.302 4.320 -0.005 0.000 0.328 53 A C -0.214 177.358 177.584 -0.020 0.000 1.158 53 A CA -0.293 51.819 52.037 0.125 0.000 0.821 53 A CB 1.076 20.120 19.000 0.074 0.000 1.170 53 A HN 1.611 nan 8.150 nan 0.000 0.490 54 A N 0.974 123.784 122.820 -0.017 0.000 2.582 54 A HA 0.556 4.873 4.320 -0.005 0.000 0.297 54 A C -0.731 176.941 177.584 0.147 0.000 1.059 54 A CA -0.504 51.494 52.037 -0.065 0.000 0.705 54 A CB 0.402 19.133 19.000 -0.449 0.000 1.279 54 A HN 1.433 nan 8.150 nan 0.000 0.404 55 V N 1.497 121.448 119.914 0.062 0.000 2.617 55 V HA 0.324 4.441 4.120 -0.005 0.000 0.304 55 V C 1.202 177.323 176.094 0.044 0.000 1.040 55 V CA 1.444 63.729 62.300 -0.025 0.000 1.149 55 V CB 0.421 32.103 31.823 -0.235 0.000 0.914 55 V HN 1.479 nan 8.190 nan 0.000 0.487 56 A N 3.938 126.743 122.820 -0.025 0.000 1.948 56 A HA 0.260 4.577 4.320 -0.005 0.000 0.197 56 A C 0.776 178.285 177.584 -0.124 0.000 1.911 56 A CA -0.233 51.768 52.037 -0.061 0.000 1.011 56 A CB -0.055 18.837 19.000 -0.180 0.000 1.119 56 A HN 0.720 nan 8.150 nan 0.000 0.621 57 Q N 1.161 120.863 119.800 -0.164 0.000 2.392 57 Q HA 0.147 4.484 4.340 -0.005 0.000 0.262 57 Q C -0.823 175.069 176.000 -0.180 0.000 1.003 57 Q CA 0.031 55.738 55.803 -0.161 0.000 0.888 57 Q CB 0.596 29.181 28.738 -0.254 0.000 1.260 57 Q HN 0.365 nan 8.270 nan 0.000 0.435 58 D N 0.590 120.944 120.400 -0.076 0.000 2.340 58 D HA -0.065 4.572 4.640 -0.005 0.000 0.220 58 D C 1.007 177.310 176.300 0.005 0.000 1.039 58 D CA 0.461 54.425 54.000 -0.060 0.000 0.866 58 D CB 0.106 40.889 40.800 -0.028 0.000 0.913 58 D HN 0.569 nan 8.370 nan 0.000 0.523 59 H N -0.715 118.352 119.070 -0.005 0.000 2.669 59 H HA 0.188 4.741 4.556 -0.005 0.000 0.297 59 H C -0.664 174.713 175.328 0.081 0.000 1.071 59 H CA 0.066 56.132 56.048 0.029 0.000 1.182 59 H CB 0.065 29.829 29.762 0.004 0.000 1.343 59 H HN -0.128 nan 8.280 nan 0.000 0.582 60 D N 1.279 121.621 120.400 -0.096 0.000 2.934 60 D HA 0.218 4.855 4.640 -0.005 0.000 0.230 60 D C -0.743 175.528 176.300 -0.048 0.000 1.204 60 D CA -0.321 53.682 54.000 0.004 0.000 0.873 60 D CB 2.702 43.383 40.800 -0.198 0.000 1.645 60 D HN 0.410 nan 8.370 nan 0.000 0.502 61 S N 1.604 117.292 115.700 -0.019 0.000 2.689 61 S HA 0.451 4.918 4.470 -0.005 0.000 0.306 61 S C 1.070 175.507 174.600 -0.273 0.000 1.104 61 S CA -0.651 57.361 58.200 -0.313 0.000 0.973 61 S CB 0.819 63.790 63.200 -0.382 0.000 1.121 61 S HN 0.350 nan 8.310 nan 0.000 0.523 62 F N 0.471 120.347 119.950 -0.123 0.000 2.216 62 F HA 0.023 4.547 4.527 -0.005 0.000 0.300 62 F C 2.627 178.415 175.800 -0.020 0.000 1.085 62 F CA 1.383 59.298 58.000 -0.140 0.000 1.326 62 F CB -0.317 38.409 39.000 -0.457 0.000 1.027 62 F HN 0.659 nan 8.300 nan 0.000 0.497 63 E N -0.027 120.228 120.200 0.091 0.000 2.077 63 E HA -0.213 4.134 4.350 -0.005 0.000 0.193 63 E C 1.990 178.727 176.600 0.229 0.000 0.989 63 E CA 1.564 58.055 56.400 0.151 0.000 0.800 63 E CB -0.558 29.128 29.700 -0.024 0.000 0.746 63 E HN 0.546 nan 8.360 nan 0.000 0.452 64 Y N -1.357 119.054 120.300 0.184 0.000 2.128 64 Y HA -0.274 4.273 4.550 -0.005 0.000 0.284 64 Y C 2.601 178.649 175.900 0.246 0.000 1.154 64 Y CA 1.170 59.373 58.100 0.171 0.000 1.149 64 Y CB -0.269 38.239 38.460 0.081 0.000 0.976 64 Y HN 0.270 nan 8.280 nan 0.000 0.505 65 H N -0.384 118.854 119.070 0.279 0.000 2.395 65 H HA -0.173 4.380 4.556 -0.005 0.000 0.299 65 H C 1.869 177.350 175.328 0.255 0.000 1.070 65 H CA 1.165 57.347 56.048 0.224 0.000 1.356 65 H CB -0.602 29.268 29.762 0.179 0.000 1.401 65 H HN 0.329 nan 8.280 nan 0.000 0.524 66 F N 0.475 120.504 119.950 0.131 0.000 2.084 66 F HA -0.094 4.431 4.527 -0.005 0.000 0.296 66 F C 2.712 178.539 175.800 0.045 0.000 1.111 66 F CA 2.056 60.075 58.000 0.031 0.000 1.224 66 F CB -0.975 38.051 39.000 0.044 0.000 0.991 66 F HN 0.297 nan 8.300 nan 0.000 0.471 67 H N 0.463 119.488 119.070 -0.075 0.000 2.265 67 H HA -0.196 4.357 4.556 -0.005 0.000 0.293 67 H C 1.983 177.184 175.328 -0.211 0.000 1.089 67 H CA 2.589 58.520 56.048 -0.196 0.000 1.244 67 H CB -0.751 29.036 29.762 0.041 0.000 1.355 67 H HN 0.245 nan 8.280 nan 0.000 0.485 68 D N -0.762 119.609 120.400 -0.049 0.000 2.116 68 D HA -0.147 4.490 4.640 -0.005 0.000 0.193 68 D C 2.152 178.360 176.300 -0.153 0.000 0.998 68 D CA 2.072 56.025 54.000 -0.079 0.000 0.836 68 D CB -0.801 40.069 40.800 0.117 0.000 0.951 68 D HN 0.498 nan 8.370 nan 0.000 0.449 69 T N 0.249 114.736 114.554 -0.111 0.000 2.833 69 T HA -0.074 4.273 4.350 -0.005 0.000 0.269 69 T C 2.203 176.713 174.700 -0.315 0.000 1.054 69 T CA 0.668 62.686 62.100 -0.136 0.000 1.135 69 T CB -0.191 68.629 68.868 -0.080 0.000 0.869 69 T HN 0.005 nan 8.240 nan 0.000 0.466 70 V N 1.339 120.912 119.914 -0.568 0.000 2.379 70 V HA 0.011 4.128 4.120 -0.005 0.000 0.243 70 V C 2.908 178.425 176.094 -0.963 0.000 1.035 70 V CA 1.254 63.060 62.300 -0.823 0.000 1.035 70 V CB -1.212 29.919 31.823 -1.154 0.000 0.673 70 V HN 0.492 nan 8.190 nan 0.000 0.457 71 A N 0.952 123.196 122.820 -0.960 0.000 1.869 71 A HA -0.212 4.105 4.320 -0.005 0.000 0.218 71 A C 2.401 179.817 177.584 -0.279 0.000 1.203 71 A CA 2.424 54.041 52.037 -0.700 0.000 0.638 71 A CB -1.451 17.212 19.000 -0.561 0.000 0.831 71 A HN 0.541 nan 8.150 nan 0.000 0.450 72 G N -1.188 107.481 108.800 -0.218 0.000 2.422 72 G HA2 0.084 4.041 3.960 -0.005 0.000 0.218 72 G HA3 0.084 4.041 3.960 -0.005 0.000 0.218 72 G C 1.393 176.237 174.900 -0.094 0.000 1.140 72 G CA 1.173 46.215 45.100 -0.098 0.000 0.775 72 G HN 0.834 nan 8.290 nan 0.000 0.545 73 G N -0.537 108.162 108.800 -0.168 0.000 2.650 73 G HA2 0.142 4.099 3.960 -0.005 0.000 0.214 73 G HA3 0.142 4.099 3.960 -0.005 0.000 0.214 73 G C 0.596 175.430 174.900 -0.110 0.000 1.136 73 G CA 0.772 45.781 45.100 -0.152 0.000 0.789 73 G HN 0.279 nan 8.290 nan 0.000 0.536 74 D N -1.757 118.636 120.400 -0.012 0.000 2.981 74 D HA -0.142 4.495 4.640 -0.005 0.000 0.223 74 D C 0.548 177.107 176.300 0.431 0.000 1.151 74 D CA 0.892 55.049 54.000 0.263 0.000 0.827 74 D CB -1.515 39.354 40.800 0.115 0.000 1.101 74 D HN 0.605 nan 8.370 nan 0.000 0.426 75 W N -1.545 119.701 121.300 -0.091 0.000 3.160 75 W HA -0.303 4.354 4.660 -0.005 0.000 0.299 75 W C 0.994 177.481 176.519 -0.054 0.000 1.141 75 W CA 0.164 57.469 57.345 -0.067 0.000 0.612 75 W CB -1.851 27.584 29.460 -0.042 0.000 2.186 75 W HN 0.273 nan 8.180 nan 0.000 1.364 76 L N -0.092 121.174 121.223 0.071 0.000 2.611 76 L HA 0.059 4.396 4.340 -0.005 0.000 0.229 76 L C 1.147 178.080 176.870 0.107 0.000 1.137 76 L CA 0.528 55.387 54.840 0.031 0.000 0.901 76 L CB -0.271 41.761 42.059 -0.045 0.000 1.098 76 L HN -0.083 nan 8.230 nan 0.000 0.456 77 C N 0.528 119.846 119.300 0.030 0.000 2.466 77 C HA 0.197 4.654 4.460 -0.005 0.000 0.379 77 C C 0.829 175.877 174.990 0.096 0.000 1.251 77 C CA -1.043 57.988 59.018 0.021 0.000 2.263 77 C CB 0.760 28.436 27.740 -0.108 0.000 2.511 77 C HN 0.248 nan 8.230 nan 0.000 0.573 78 E N 2.288 122.550 120.200 0.102 0.000 1.996 78 E HA 0.050 4.397 4.350 -0.005 0.000 0.280 78 E C 0.864 177.553 176.600 0.147 0.000 1.092 78 E CA 0.147 56.622 56.400 0.126 0.000 0.862 78 E CB 0.572 30.316 29.700 0.074 0.000 1.066 78 E HN 0.690 nan 8.360 nan 0.000 0.396 79 Q N 1.641 121.559 119.800 0.196 0.000 2.226 79 Q HA -0.177 4.160 4.340 -0.005 0.000 0.204 79 Q C 1.119 177.262 176.000 0.239 0.000 0.975 79 Q CA 1.289 57.295 55.803 0.339 0.000 0.866 79 Q CB 0.088 29.073 28.738 0.412 0.000 0.915 79 Q HN 0.473 nan 8.270 nan 0.000 0.440 80 D N 0.901 121.394 120.400 0.155 0.000 2.097 80 D HA -0.135 4.502 4.640 -0.005 0.000 0.195 80 D C 1.943 178.332 176.300 0.148 0.000 0.989 80 D CA 1.007 55.072 54.000 0.108 0.000 0.827 80 D CB -0.647 40.199 40.800 0.077 0.000 0.966 80 D HN 0.100 nan 8.370 nan 0.000 0.456 81 V N 0.800 120.811 119.914 0.161 0.000 2.307 81 V HA -0.195 3.922 4.120 -0.005 0.000 0.245 81 V C 2.862 179.159 176.094 0.339 0.000 1.045 81 V CA 1.431 63.868 62.300 0.228 0.000 1.024 81 V CB -0.326 31.545 31.823 0.080 0.000 0.651 81 V HN 0.130 nan 8.190 nan 0.000 0.449 82 V N 0.312 120.387 119.914 0.269 0.000 2.667 82 V HA -0.216 3.901 4.120 -0.005 0.000 0.252 82 V C 2.212 178.499 176.094 0.321 0.000 1.065 82 V CA 2.064 64.569 62.300 0.342 0.000 1.083 82 V CB -0.657 31.392 31.823 0.376 0.000 0.692 82 V HN 0.605 nan 8.190 nan 0.000 0.468 83 D N -0.424 120.059 120.400 0.138 0.000 2.097 83 D HA -0.234 4.403 4.640 -0.005 0.000 0.197 83 D C 2.017 178.393 176.300 0.126 0.000 0.984 83 D CA 1.262 55.212 54.000 -0.083 0.000 0.826 83 D CB -0.244 40.451 40.800 -0.175 0.000 0.973 83 D HN 0.471 nan 8.370 nan 0.000 0.460 84 Y N -0.200 120.136 120.300 0.059 0.000 2.256 84 Y HA -0.191 4.356 4.550 -0.005 0.000 0.288 84 Y C 1.850 177.764 175.900 0.023 0.000 1.155 84 Y CA 1.474 59.571 58.100 -0.004 0.000 1.203 84 Y CB -0.611 37.794 38.460 -0.092 0.000 0.980 84 Y HN 0.065 nan 8.280 nan 0.000 0.530 85 F N 0.338 120.234 119.950 -0.091 0.000 2.051 85 F HA -0.198 4.326 4.527 -0.005 0.000 0.296 85 F C 2.518 178.216 175.800 -0.170 0.000 1.122 85 F CA 2.355 60.264 58.000 -0.152 0.000 1.201 85 F CB -1.140 37.963 39.000 0.170 0.000 0.978 85 F HN -0.051 nan 8.300 nan 0.000 0.472 86 V N -1.006 118.777 119.914 -0.218 0.000 2.324 86 V HA -0.345 3.772 4.120 -0.005 0.000 0.250 86 V C 2.392 178.240 176.094 -0.410 0.000 1.060 86 V CA 2.472 64.592 62.300 -0.300 0.000 1.042 86 V CB -1.451 30.294 31.823 -0.131 0.000 0.650 86 V HN 0.491 nan 8.190 nan 0.000 0.450 87 H N -0.525 118.164 119.070 -0.634 0.000 2.462 87 H HA 0.019 4.572 4.556 -0.005 0.000 0.292 87 H C 1.836 176.810 175.328 -0.591 0.000 1.049 87 H CA 1.873 57.345 56.048 -0.960 0.000 1.334 87 H CB -0.085 29.192 29.762 -0.810 0.000 1.404 87 H HN 0.656 nan 8.280 nan 0.000 0.544 88 H N -1.098 117.644 119.070 -0.546 0.000 2.549 88 H HA 0.070 4.623 4.556 -0.005 0.000 0.279 88 H C 1.768 176.806 175.328 -0.482 0.000 1.018 88 H CA -0.267 55.461 56.048 -0.532 0.000 1.175 88 H CB 0.507 29.799 29.762 -0.783 0.000 1.485 88 H HN 0.254 nan 8.280 nan 0.000 0.543 89 C N 1.198 120.234 119.300 -0.439 0.000 2.462 89 C HA -0.066 4.391 4.460 -0.005 0.000 0.278 89 C C 0.027 174.773 174.990 -0.407 0.000 1.253 89 C CA 0.631 59.371 59.018 -0.464 0.000 1.713 89 C CB -0.958 26.499 27.740 -0.472 0.000 2.049 89 C HN 0.439 nan 8.230 nan 0.000 0.477 90 P HA -0.063 nan 4.420 nan 0.000 0.217 90 P C 1.461 178.575 177.300 -0.311 0.000 1.150 90 P CA 1.883 64.820 63.100 -0.272 0.000 0.832 90 P CB -0.358 31.314 31.700 -0.047 0.000 0.787 91 T N -0.159 114.233 114.554 -0.269 0.000 2.684 91 T HA -0.161 4.186 4.350 -0.005 0.000 0.267 91 T C 1.582 176.109 174.700 -0.289 0.000 1.036 91 T CA 1.334 63.283 62.100 -0.252 0.000 1.148 91 T CB -0.690 68.022 68.868 -0.259 0.000 0.863 91 T HN 0.144 nan 8.240 nan 0.000 0.436 92 E N 0.601 120.613 120.200 -0.314 0.000 2.072 92 E HA 0.036 4.383 4.350 -0.005 0.000 0.191 92 E C 2.148 178.525 176.600 -0.371 0.000 0.985 92 E CA 0.928 57.146 56.400 -0.303 0.000 0.801 92 E CB -0.378 29.187 29.700 -0.224 0.000 0.750 92 E HN 0.377 nan 8.360 nan 0.000 0.452 93 M N 0.129 119.389 119.600 -0.568 0.000 2.077 93 M HA -0.077 4.400 4.480 -0.005 0.000 0.261 93 M C 2.282 178.200 176.300 -0.637 0.000 1.070 93 M CA 1.477 56.278 55.300 -0.831 0.000 1.125 93 M CB -0.821 30.618 32.600 -1.936 0.000 1.339 93 M HN -0.027 nan 8.290 nan 0.000 0.409 94 T N -0.360 113.866 114.554 -0.547 0.000 2.737 94 T HA -0.238 4.109 4.350 -0.005 0.000 0.269 94 T C 1.748 176.358 174.700 -0.149 0.000 1.040 94 T CA 1.713 63.717 62.100 -0.159 0.000 1.142 94 T CB -0.238 68.591 68.868 -0.066 0.000 0.861 94 T HN 0.321 nan 8.240 nan 0.000 0.456 95 Q N 0.579 120.219 119.800 -0.267 0.000 2.119 95 Q HA 0.100 4.437 4.340 -0.005 0.000 0.201 95 Q C 2.094 177.810 176.000 -0.472 0.000 0.972 95 Q CA 1.263 56.829 55.803 -0.394 0.000 0.847 95 Q CB -0.660 27.764 28.738 -0.524 0.000 0.903 95 Q HN 0.495 nan 8.270 nan 0.000 0.433 96 L N 0.511 121.571 121.223 -0.271 0.000 2.083 96 L HA -0.173 4.164 4.340 -0.005 0.000 0.209 96 L C 2.503 179.545 176.870 0.287 0.000 1.083 96 L CA 1.559 56.407 54.840 0.014 0.000 0.752 96 L CB -0.516 41.694 42.059 0.253 0.000 0.899 96 L HN 0.411 nan 8.230 nan 0.000 0.433 97 E N 0.881 121.326 120.200 0.408 0.000 2.085 97 E HA -0.240 4.107 4.350 -0.005 0.000 0.194 97 E C 2.196 178.935 176.600 0.232 0.000 0.994 97 E CA 1.470 58.135 56.400 0.442 0.000 0.801 97 E CB -0.181 29.735 29.700 0.359 0.000 0.743 97 E HN 0.518 nan 8.360 nan 0.000 0.453 98 L N -0.680 120.610 121.223 0.111 0.000 2.265 98 L HA -0.131 4.206 4.340 -0.005 0.000 0.215 98 L C 1.726 178.775 176.870 0.298 0.000 1.117 98 L CA 0.488 55.400 54.840 0.120 0.000 0.782 98 L CB -0.405 41.667 42.059 0.022 0.000 0.914 98 L HN 0.182 nan 8.230 nan 0.000 0.441 99 W N 0.247 121.611 121.300 0.108 0.000 3.400 99 W HA 0.347 5.004 4.660 -0.005 0.000 0.347 99 W C 1.536 178.094 176.519 0.065 0.000 1.218 99 W CA 0.339 57.735 57.345 0.084 0.000 1.837 99 W CB -0.870 28.646 29.460 0.093 0.000 1.067 99 W HN 0.304 nan 8.180 nan 0.000 0.701 100 G N -0.173 108.783 108.800 0.260 0.000 2.213 100 G HA2 -0.315 3.642 3.960 -0.005 0.000 0.236 100 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.236 100 G C 0.525 175.470 174.900 0.075 0.000 0.991 100 G CA -0.232 44.955 45.100 0.146 0.000 0.629 100 G HN 0.211 nan 8.290 nan 0.000 0.517 101 C N 4.366 123.714 119.300 0.079 0.000 2.419 101 C HA 0.416 4.873 4.460 -0.005 0.000 0.398 101 C C -1.044 173.757 174.990 -0.315 0.000 1.498 101 C CA -0.378 58.542 59.018 -0.162 0.000 1.494 101 C CB 0.004 27.622 27.740 -0.203 0.000 2.485 101 C HN 0.410 nan 8.230 nan 0.000 0.608 102 P HA 0.133 nan 4.420 nan 0.000 0.256 102 P C -1.038 176.004 177.300 -0.430 0.000 1.689 102 P CA 0.060 62.937 63.100 -0.372 0.000 1.124 102 P CB -0.264 31.175 31.700 -0.435 0.000 1.766 103 W N 1.643 122.867 121.300 -0.127 0.000 2.287 103 W HA 0.210 4.867 4.660 -0.005 0.000 0.313 103 W C 0.672 177.028 176.519 -0.273 0.000 1.267 103 W CA -0.122 57.124 57.345 -0.165 0.000 1.201 103 W CB 0.474 29.901 29.460 -0.056 0.000 1.196 103 W HN 0.200 nan 8.180 nan 0.000 0.536 104 S N 3.461 119.016 115.700 -0.243 0.000 2.558 104 S HA 0.262 4.729 4.470 -0.005 0.000 0.288 104 S C 0.144 174.583 174.600 -0.270 0.000 1.318 104 S CA -0.250 57.728 58.200 -0.370 0.000 1.056 104 S CB 0.342 63.060 63.200 -0.803 0.000 0.853 104 S HN 0.405 nan 8.310 nan 0.000 0.505 105 R N 0.903 121.320 120.500 -0.138 0.000 2.795 105 R HA 0.432 4.769 4.340 -0.005 0.000 0.275 105 R C -0.444 175.829 176.300 -0.045 0.000 0.981 105 R CA -0.942 55.103 56.100 -0.091 0.000 0.917 105 R CB 1.635 31.898 30.300 -0.061 0.000 1.202 105 R HN 0.536 nan 8.270 nan 0.000 0.469 106 R N 1.773 122.246 120.500 -0.044 0.000 2.641 106 R HA 0.097 4.434 4.340 -0.005 0.000 0.269 106 R C -1.447 174.843 176.300 -0.017 0.000 1.074 106 R CA -1.404 54.684 56.100 -0.020 0.000 1.133 106 R CB 0.350 30.632 30.300 -0.029 0.000 1.029 106 R HN 0.388 nan 8.270 nan 0.000 0.488 107 P HA -0.160 nan 4.420 nan 0.000 0.226 107 P C -0.238 177.056 177.300 -0.010 0.000 1.146 107 P CA 1.167 64.263 63.100 -0.005 0.000 0.773 107 P CB 0.239 31.938 31.700 -0.001 0.000 0.772 108 D N -0.967 119.424 120.400 -0.016 0.000 2.317 108 D HA 0.038 4.676 4.640 -0.005 0.000 0.211 108 D C 1.882 178.170 176.300 -0.021 0.000 0.966 108 D CA 1.393 55.382 54.000 -0.019 0.000 0.876 108 D CB -0.134 40.653 40.800 -0.023 0.000 0.927 108 D HN 0.266 nan 8.370 nan 0.000 0.519 109 G N 0.511 109.296 108.800 -0.025 0.000 2.313 109 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.215 109 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.215 109 G C 0.550 175.425 174.900 -0.041 0.000 1.023 109 G CA 0.290 45.374 45.100 -0.026 0.000 0.626 109 G HN 0.478 nan 8.290 nan 0.000 0.503 110 S N 0.552 116.218 115.700 -0.057 0.000 2.579 110 S HA 0.564 5.031 4.470 -0.005 0.000 0.275 110 S C 0.557 175.076 174.600 -0.135 0.000 1.345 110 S CA -0.065 58.079 58.200 -0.093 0.000 1.031 110 S CB 2.023 65.166 63.200 -0.095 0.000 0.892 110 S HN 1.167 nan 8.310 nan 0.000 0.529 111 V N 3.373 123.157 119.914 -0.217 0.000 2.493 111 V HA 0.087 4.204 4.120 -0.005 0.000 0.292 111 V C 0.886 176.779 176.094 -0.334 0.000 1.016 111 V CA -0.256 61.856 62.300 -0.314 0.000 1.097 111 V CB -0.521 30.962 31.823 -0.567 0.000 0.947 111 V HN 0.893 nan 8.190 nan 0.000 0.479 112 N N 3.764 122.335 118.700 -0.215 0.000 2.463 112 N HA 0.571 5.308 4.740 -0.005 0.000 0.270 112 N C -0.802 174.722 175.510 0.023 0.000 1.205 112 N CA -0.354 52.651 53.050 -0.076 0.000 0.974 112 N CB 1.741 40.266 38.487 0.064 0.000 1.197 112 N HN 0.549 nan 8.380 nan 0.000 0.504 113 V N -0.254 119.737 119.914 0.128 0.000 2.760 113 V HA 0.684 4.801 4.120 -0.005 0.000 0.309 113 V C -0.295 175.888 176.094 0.148 0.000 1.077 113 V CA -1.100 61.316 62.300 0.194 0.000 0.910 113 V CB 1.554 33.350 31.823 -0.044 0.000 1.008 113 V HN 0.811 nan 8.190 nan 0.000 0.424 114 R N 2.886 123.419 120.500 0.055 0.000 2.875 114 R HA 0.693 5.030 4.340 -0.005 0.000 0.251 114 R C -0.555 175.756 176.300 0.019 0.000 1.123 114 R CA -0.972 55.084 56.100 -0.074 0.000 1.064 114 R CB 2.102 32.203 30.300 -0.332 0.000 1.205 114 R HN 0.853 nan 8.270 nan 0.000 0.503 115 R N 1.047 121.531 120.500 -0.027 0.000 2.349 115 R HA 0.357 4.694 4.340 -0.005 0.000 0.299 115 R C -1.480 174.792 176.300 -0.047 0.000 1.027 115 R CA -0.191 55.905 56.100 -0.007 0.000 0.958 115 R CB 0.644 30.914 30.300 -0.051 0.000 1.047 115 R HN 0.564 nan 8.270 nan 0.000 0.468 116 F N 1.117 121.068 119.950 0.002 0.000 2.601 116 F HA 0.361 4.885 4.527 -0.005 0.000 0.309 116 F C 0.905 176.727 175.800 0.036 0.000 1.089 116 F CA 0.302 58.316 58.000 0.023 0.000 0.940 116 F CB 2.552 41.580 39.000 0.047 0.000 1.273 116 F HN 0.790 nan 8.300 nan 0.000 0.450 117 G N 1.258 110.212 108.800 0.256 0.000 2.175 117 G HA2 -0.002 3.955 3.960 -0.005 0.000 0.265 117 G HA3 -0.002 3.955 3.960 -0.005 0.000 0.265 117 G C 0.994 175.943 174.900 0.081 0.000 0.979 117 G CA 0.737 45.944 45.100 0.177 0.000 0.663 117 G HN 2.128 nan 8.290 nan 0.000 0.533 118 G N -1.475 107.348 108.800 0.039 0.000 2.159 118 G HA2 -0.160 3.797 3.960 -0.005 0.000 0.227 118 G HA3 -0.160 3.797 3.960 -0.005 0.000 0.227 118 G C 0.379 175.294 174.900 0.024 0.000 0.986 118 G CA 0.576 45.683 45.100 0.011 0.000 0.651 118 G HN 1.111 nan 8.290 nan 0.000 0.523 119 M N 0.630 120.258 119.600 0.047 0.000 2.252 119 M HA 0.229 4.706 4.480 -0.005 0.000 0.348 119 M C 1.641 177.954 176.300 0.021 0.000 1.334 119 M CA 0.584 55.913 55.300 0.049 0.000 1.071 119 M CB 0.925 33.557 32.600 0.054 0.000 1.763 119 M HN 0.241 nan 8.290 nan 0.000 0.452 120 K N 3.028 123.437 120.400 0.016 0.000 2.009 120 K HA -0.061 4.256 4.320 -0.005 0.000 0.210 120 K C 0.340 176.924 176.600 -0.027 0.000 1.049 120 K CA 1.073 57.354 56.287 -0.011 0.000 0.929 120 K CB 0.327 32.809 32.500 -0.030 0.000 0.714 120 K HN 0.509 nan 8.250 nan 0.000 0.440 121 I N 2.947 123.488 120.570 -0.048 0.000 2.428 121 I HA 0.045 4.212 4.170 -0.005 0.000 0.296 121 I C -0.180 175.915 176.117 -0.037 0.000 0.985 121 I CA -0.684 60.584 61.300 -0.052 0.000 1.260 121 I CB 1.377 39.302 38.000 -0.124 0.000 1.389 121 I HN 0.292 nan 8.210 nan 0.000 0.484 122 E N 7.334 127.521 120.200 -0.022 0.000 2.223 122 E HA 0.186 4.533 4.350 -0.005 0.000 0.282 122 E C -0.042 176.545 176.600 -0.021 0.000 1.046 122 E CA -0.404 55.994 56.400 -0.004 0.000 0.857 122 E CB 0.640 30.347 29.700 0.012 0.000 1.055 122 E HN 0.711 nan 8.360 nan 0.000 0.409 123 R N 0.960 121.460 120.500 0.001 0.000 2.590 123 R HA 0.204 4.541 4.340 -0.005 0.000 0.410 123 R C -0.588 175.826 176.300 0.190 0.000 1.010 123 R CA -0.573 55.543 56.100 0.027 0.000 1.155 123 R CB 0.012 30.265 30.300 -0.078 0.000 1.455 123 R HN 0.178 nan 8.270 nan 0.000 0.567 124 T N 2.185 116.862 114.554 0.205 0.000 2.723 124 T HA 0.178 4.525 4.350 -0.005 0.000 0.297 124 T C -0.832 174.153 174.700 0.475 0.000 0.925 124 T CA -0.230 62.067 62.100 0.329 0.000 1.030 124 T CB 0.145 69.190 68.868 0.295 0.000 0.905 124 T HN 0.151 nan 8.240 nan 0.000 0.502 125 W N 4.820 126.234 121.300 0.190 0.000 2.218 125 W HA 0.548 5.205 4.660 -0.004 0.000 0.326 125 W C -0.003 176.925 176.519 0.682 0.000 1.276 125 W CA -1.110 56.381 57.345 0.243 0.000 1.210 125 W CB -0.070 29.181 29.460 -0.349 0.000 1.143 125 W HN 0.626 nan 8.180 nan 0.000 0.563 126 F N -0.238 120.151 119.950 0.732 0.000 2.678 126 F HA 0.771 5.295 4.527 -0.005 0.000 0.308 126 F C -0.884 175.133 175.800 0.361 0.000 1.118 126 F CA -1.987 56.309 58.000 0.492 0.000 0.959 126 F CB 1.132 40.304 39.000 0.288 0.000 1.305 126 F HN 0.376 nan 8.300 nan 0.000 0.443 127 A N 3.017 125.924 122.820 0.144 0.000 2.664 127 A HA 0.808 5.125 4.320 -0.005 0.000 0.338 127 A C 0.668 178.354 177.584 0.170 0.000 1.280 127 A CA -0.064 51.944 52.037 -0.049 0.000 0.809 127 A CB -0.297 18.567 19.000 -0.227 0.000 1.114 127 A HN 2.577 nan 8.150 nan 0.000 0.479 128 A N 2.135 125.093 122.820 0.230 0.000 5.395 128 A HA -0.281 4.037 4.320 -0.005 0.000 0.324 128 A C 0.906 178.690 177.584 0.333 0.000 1.813 128 A CA 1.956 54.181 52.037 0.313 0.000 0.714 128 A CB -1.368 17.733 19.000 0.168 0.000 1.374 128 A HN 1.603 nan 8.150 nan 0.000 0.390 129 D N -0.846 119.677 120.400 0.206 0.000 2.538 129 D HA 0.310 4.947 4.640 -0.005 0.000 0.231 129 D C 0.345 176.710 176.300 0.110 0.000 1.229 129 D CA 0.333 54.442 54.000 0.182 0.000 0.828 129 D CB 0.192 41.106 40.800 0.189 0.000 1.035 129 D HN 0.551 nan 8.370 nan 0.000 0.495 130 K N 0.158 120.608 120.400 0.083 0.000 2.758 130 K HA 0.162 4.479 4.320 -0.005 0.000 0.208 130 K C 0.578 177.275 176.600 0.161 0.000 1.091 130 K CA -0.079 56.208 56.287 0.000 0.000 1.059 130 K CB 0.856 33.202 32.500 -0.257 0.000 0.801 130 K HN -0.024 nan 8.250 nan 0.000 0.470 131 T N 0.225 114.885 114.554 0.177 0.000 2.699 131 T HA -0.162 4.185 4.350 -0.005 0.000 0.268 131 T C 1.918 176.682 174.700 0.106 0.000 1.036 131 T CA 1.933 64.124 62.100 0.152 0.000 1.147 131 T CB -0.094 68.881 68.868 0.179 0.000 0.862 131 T HN 0.512 nan 8.240 nan 0.000 0.446 132 G N 0.799 109.663 108.800 0.106 0.000 2.402 132 G HA2 -0.163 3.794 3.960 -0.005 0.000 0.216 132 G HA3 -0.163 3.794 3.960 -0.005 0.000 0.216 132 G C 1.344 176.289 174.900 0.074 0.000 1.162 132 G CA 0.643 45.797 45.100 0.090 0.000 0.777 132 G HN 0.521 nan 8.290 nan 0.000 0.539 133 F N 1.331 121.225 119.950 -0.094 0.000 2.065 133 F HA -0.194 4.330 4.527 -0.005 0.000 0.298 133 F C 2.637 178.348 175.800 -0.149 0.000 1.112 133 F CA 2.197 60.089 58.000 -0.180 0.000 1.212 133 F CB -0.442 38.318 39.000 -0.400 0.000 0.975 133 F HN 0.170 nan 8.300 nan 0.000 0.476 134 H N 0.585 119.463 119.070 -0.320 0.000 2.293 134 H HA -0.148 4.405 4.556 -0.005 0.000 0.300 134 H C 2.382 177.540 175.328 -0.284 0.000 1.082 134 H CA 2.210 57.987 56.048 -0.451 0.000 1.308 134 H CB -0.702 28.915 29.762 -0.242 0.000 1.375 134 H HN 0.370 nan 8.280 nan 0.000 0.495 135 M N -0.170 119.406 119.600 -0.040 0.000 2.065 135 M HA -0.158 4.319 4.480 -0.005 0.000 0.259 135 M C 2.596 178.939 176.300 0.071 0.000 1.069 135 M CA 1.251 56.567 55.300 0.028 0.000 1.110 135 M CB -0.594 32.051 32.600 0.075 0.000 1.328 135 M HN 0.133 nan 8.290 nan 0.000 0.405 136 L N 0.068 121.320 121.223 0.048 0.000 1.989 136 L HA -0.219 4.118 4.340 -0.005 0.000 0.211 136 L C 2.290 179.194 176.870 0.057 0.000 1.071 136 L CA 2.179 57.055 54.840 0.059 0.000 0.749 136 L CB -0.923 41.159 42.059 0.038 0.000 0.890 136 L HN 0.207 nan 8.230 nan 0.000 0.431 137 H N -0.945 118.031 119.070 -0.156 0.000 2.319 137 H HA -0.140 4.413 4.556 -0.005 0.000 0.299 137 H C 2.132 177.513 175.328 0.088 0.000 1.092 137 H CA 2.155 58.145 56.048 -0.096 0.000 1.302 137 H CB -0.595 28.897 29.762 -0.450 0.000 1.373 137 H HN 0.385 nan 8.280 nan 0.000 0.497 138 T N 0.727 115.360 114.554 0.132 0.000 2.555 138 T HA -0.199 4.148 4.350 -0.005 0.000 0.264 138 T C 2.261 177.072 174.700 0.185 0.000 1.083 138 T CA 1.638 63.827 62.100 0.148 0.000 1.179 138 T CB -0.647 68.306 68.868 0.141 0.000 0.863 138 T HN 0.143 nan 8.240 nan 0.000 0.412 139 L N 0.218 121.588 121.223 0.244 0.000 1.997 139 L HA -0.168 4.169 4.340 -0.005 0.000 0.216 139 L C 2.324 179.265 176.870 0.118 0.000 1.074 139 L CA 1.979 56.977 54.840 0.263 0.000 0.763 139 L CB -0.750 41.478 42.059 0.282 0.000 0.890 139 L HN 0.265 nan 8.230 nan 0.000 0.434 140 F N 0.466 120.418 119.950 0.004 0.000 2.154 140 F HA -0.280 4.244 4.527 -0.005 0.000 0.301 140 F C 2.498 178.264 175.800 -0.057 0.000 1.087 140 F CA 1.783 59.759 58.000 -0.041 0.000 1.274 140 F CB -0.310 38.632 39.000 -0.097 0.000 1.009 140 F HN 0.091 nan 8.300 nan 0.000 0.485 141 Q N -0.470 119.137 119.800 -0.322 0.000 2.187 141 Q HA -0.100 4.237 4.340 -0.005 0.000 0.199 141 Q C 2.054 177.850 176.000 -0.340 0.000 0.957 141 Q CA 1.805 57.353 55.803 -0.424 0.000 0.857 141 Q CB -0.205 28.471 28.738 -0.103 0.000 0.929 141 Q HN 0.394 nan 8.270 nan 0.000 0.453 142 T N 0.095 114.486 114.554 -0.271 0.000 2.904 142 T HA -0.128 4.219 4.350 -0.005 0.000 0.267 142 T C 1.909 176.431 174.700 -0.296 0.000 1.059 142 T CA 1.224 63.088 62.100 -0.393 0.000 1.137 142 T CB -0.189 68.257 68.868 -0.703 0.000 0.879 142 T HN 0.299 nan 8.240 nan 0.000 0.467 143 S N 1.193 116.760 115.700 -0.221 0.000 2.419 143 S HA -0.015 4.452 4.470 -0.005 0.000 0.235 143 S C 1.848 176.409 174.600 -0.065 0.000 1.019 143 S CA 0.763 58.922 58.200 -0.067 0.000 0.982 143 S CB -0.530 62.625 63.200 -0.075 0.000 0.789 143 S HN 0.494 nan 8.310 nan 0.000 0.490 144 L N 1.114 122.178 121.223 -0.266 0.000 2.554 144 L HA 0.074 4.411 4.340 -0.005 0.000 0.226 144 L C 2.460 179.192 176.870 -0.231 0.000 1.137 144 L CA 0.748 55.436 54.840 -0.252 0.000 0.863 144 L CB -0.280 41.563 42.059 -0.360 0.000 0.985 144 L HN 0.625 nan 8.230 nan 0.000 0.451 145 Q N -0.821 118.775 119.800 -0.340 0.000 2.403 145 Q HA 0.007 4.344 4.340 -0.005 0.000 0.203 145 Q C -0.231 175.390 176.000 -0.633 0.000 0.932 145 Q CA 0.249 55.749 55.803 -0.505 0.000 0.945 145 Q CB 0.066 28.413 28.738 -0.652 0.000 1.045 145 Q HN 0.251 nan 8.270 nan 0.000 0.511 146 F N 1.434 121.301 119.950 -0.139 0.000 2.325 146 F HA 0.389 4.912 4.527 -0.006 0.000 0.369 146 F C -1.893 173.865 175.800 -0.071 0.000 1.095 146 F CA -2.832 55.109 58.000 -0.098 0.000 1.082 146 F CB 1.780 40.719 39.000 -0.102 0.000 1.289 146 F HN -0.065 nan 8.300 nan 0.000 0.462 147 P HA -0.142 nan 4.420 nan 0.000 0.225 147 P C 1.090 178.427 177.300 0.061 0.000 1.148 147 P CA 1.047 64.170 63.100 0.038 0.000 0.779 147 P CB 0.197 31.906 31.700 0.014 0.000 0.780 148 Q N -0.353 119.502 119.800 0.091 0.000 2.181 148 Q HA -0.079 4.258 4.340 -0.005 0.000 0.205 148 Q C 0.687 176.726 176.000 0.065 0.000 0.980 148 Q CA 0.850 56.696 55.803 0.072 0.000 0.862 148 Q CB -0.779 27.997 28.738 0.063 0.000 0.905 148 Q HN 0.330 nan 8.270 nan 0.000 0.429 149 I N 1.899 122.511 120.570 0.070 0.000 2.329 149 I HA 0.036 4.203 4.170 -0.005 0.000 0.295 149 I C -0.025 176.127 176.117 0.059 0.000 1.109 149 I CA -0.636 60.701 61.300 0.062 0.000 1.297 149 I CB 0.296 38.330 38.000 0.057 0.000 1.433 149 I HN 0.021 nan 8.210 nan 0.000 0.509 150 Q N 7.693 127.539 119.800 0.075 0.000 2.377 150 Q HA 0.281 4.618 4.340 -0.005 0.000 0.249 150 Q C -0.575 175.461 176.000 0.060 0.000 1.005 150 Q CA -0.160 55.670 55.803 0.044 0.000 0.912 150 Q CB 0.593 29.373 28.738 0.070 0.000 1.223 150 Q HN 0.456 nan 8.270 nan 0.000 0.459 151 R N 3.225 123.725 120.500 -0.001 0.000 2.441 151 R HA 0.320 4.657 4.340 -0.005 0.000 0.284 151 R C -0.688 175.568 176.300 -0.073 0.000 1.070 151 R CA -0.199 55.932 56.100 0.051 0.000 1.047 151 R CB 0.721 31.061 30.300 0.067 0.000 1.016 151 R HN 0.554 nan 8.270 nan 0.000 0.477 152 F N 1.983 121.959 119.950 0.043 0.000 2.363 152 F HA 0.212 4.735 4.527 -0.006 0.000 0.366 152 F C -0.194 175.677 175.800 0.119 0.000 1.083 152 F CA -0.743 57.380 58.000 0.206 0.000 1.176 152 F CB 0.866 39.942 39.000 0.126 0.000 1.432 152 F HN 0.304 nan 8.300 nan 0.000 0.482 153 D N 2.813 123.202 120.400 -0.019 0.000 2.283 153 D HA 0.162 4.799 4.640 -0.005 0.000 0.248 153 D C 0.452 176.461 176.300 -0.486 0.000 1.072 153 D CA -0.021 53.795 54.000 -0.306 0.000 0.929 153 D CB 0.796 41.313 40.800 -0.471 0.000 1.182 153 D HN 0.382 nan 8.370 nan 0.000 0.433 154 E N 0.522 120.410 120.200 -0.521 0.000 2.269 154 E HA -0.269 4.078 4.350 -0.005 0.000 0.223 154 E C -0.728 175.680 176.600 -0.321 0.000 1.244 154 E CA 0.914 57.101 56.400 -0.354 0.000 0.713 154 E CB -1.965 27.590 29.700 -0.242 0.000 1.178 154 E HN 0.562 nan 8.360 nan 0.000 0.370 155 H N -0.678 118.346 119.070 -0.076 0.000 2.589 155 H HA 0.442 4.996 4.556 -0.004 0.000 0.335 155 H C -0.604 174.712 175.328 -0.020 0.000 1.019 155 H CA -0.605 55.438 56.048 -0.008 0.000 1.213 155 H CB 1.013 30.806 29.762 0.050 0.000 1.472 155 H HN 0.147 nan 8.280 nan 0.000 0.508 156 F N 4.740 124.697 119.950 0.011 0.000 2.350 156 F HA 0.257 4.781 4.527 -0.005 0.000 0.365 156 F C -0.310 175.453 175.800 -0.062 0.000 1.122 156 F CA -0.988 56.974 58.000 -0.063 0.000 1.139 156 F CB 0.450 39.380 39.000 -0.116 0.000 1.220 156 F HN 0.267 nan 8.300 nan 0.000 0.499 157 V N 8.097 128.151 119.914 0.233 0.000 2.493 157 V HA -0.123 3.994 4.120 -0.005 0.000 0.292 157 V C 0.888 177.137 176.094 0.258 0.000 1.016 157 V CA 0.726 63.113 62.300 0.146 0.000 1.097 157 V CB 0.862 32.699 31.823 0.023 0.000 0.947 157 V HN 0.876 nan 8.190 nan 0.000 0.479 158 L N 2.976 124.278 121.223 0.131 0.000 2.286 158 L HA 0.366 4.703 4.340 -0.005 0.000 0.203 158 L C 0.566 177.511 176.870 0.126 0.000 1.068 158 L CA 0.766 55.661 54.840 0.091 0.000 0.811 158 L CB 0.240 42.300 42.059 0.002 0.000 0.989 158 L HN 0.659 nan 8.230 nan 0.000 0.467 159 D N -1.353 119.104 120.400 0.095 0.000 2.648 159 D HA 0.363 5.000 4.640 -0.005 0.000 0.244 159 D C -1.169 175.169 176.300 0.063 0.000 1.244 159 D CA -0.552 53.521 54.000 0.122 0.000 0.772 159 D CB 1.747 42.630 40.800 0.139 0.000 1.379 159 D HN 0.042 nan 8.370 nan 0.000 0.428 160 I N -1.128 119.470 120.570 0.047 0.000 2.664 160 I HA 0.579 4.746 4.170 -0.005 0.000 0.308 160 I C -0.517 175.501 176.117 -0.166 0.000 0.984 160 I CA -0.879 60.380 61.300 -0.068 0.000 1.213 160 I CB 1.235 39.176 38.000 -0.098 0.000 1.379 160 I HN 0.180 nan 8.210 nan 0.000 0.501 161 L N 5.029 126.168 121.223 -0.140 0.000 2.287 161 L HA 0.645 4.982 4.340 -0.005 0.000 0.287 161 L C -0.815 175.968 176.870 -0.145 0.000 1.022 161 L CA -0.819 53.947 54.840 -0.124 0.000 0.814 161 L CB 1.554 43.584 42.059 -0.048 0.000 1.217 161 L HN 0.429 nan 8.230 nan 0.000 0.420 162 V N 2.222 122.031 119.914 -0.176 0.000 2.638 162 V HA 0.502 4.619 4.120 -0.005 0.000 0.306 162 V C -0.833 175.242 176.094 -0.032 0.000 1.052 162 V CA -0.577 61.653 62.300 -0.117 0.000 0.885 162 V CB 2.427 34.135 31.823 -0.191 0.000 0.999 162 V HN 0.769 nan 8.190 nan 0.000 0.424 163 D N 3.563 123.965 120.400 0.004 0.000 2.970 163 D HA 0.206 4.843 4.640 -0.005 0.000 0.230 163 D C -0.619 175.700 176.300 0.031 0.000 1.276 163 D CA -0.249 53.762 54.000 0.018 0.000 0.910 163 D CB 2.099 42.907 40.800 0.014 0.000 1.590 163 D HN 0.699 nan 8.370 nan 0.000 0.551 164 D N 2.776 123.193 120.400 0.028 0.000 2.723 164 D HA -0.162 4.475 4.640 -0.005 0.000 0.236 164 D C 0.821 177.148 176.300 0.046 0.000 1.138 164 D CA 1.610 55.628 54.000 0.030 0.000 0.676 164 D CB -1.143 39.671 40.800 0.024 0.000 1.069 164 D HN 0.977 nan 8.370 nan 0.000 0.430 165 G N 0.392 109.214 108.800 0.037 0.000 2.221 165 G HA2 -0.315 3.642 3.960 -0.005 0.000 0.265 165 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.265 165 G C -0.056 174.871 174.900 0.045 0.000 1.041 165 G CA 0.710 45.824 45.100 0.024 0.000 0.807 165 G HN 0.719 nan 8.290 nan 0.000 0.502 166 H N -1.336 117.713 119.070 -0.034 0.000 2.865 166 H HA 0.477 5.031 4.556 -0.003 0.000 0.362 166 H C -0.570 174.729 175.328 -0.048 0.000 1.114 166 H CA -0.453 55.573 56.048 -0.036 0.000 1.208 166 H CB 2.306 32.055 29.762 -0.022 0.000 1.727 166 H HN 0.189 nan 8.280 nan 0.000 0.534 167 V N 5.929 125.780 119.914 -0.105 0.000 2.488 167 V HA 0.286 4.403 4.120 -0.005 0.000 0.277 167 V C -0.089 176.073 176.094 0.114 0.000 1.046 167 V CA -0.050 62.231 62.300 -0.032 0.000 0.986 167 V CB 0.353 32.118 31.823 -0.097 0.000 0.989 167 V HN 0.665 nan 8.190 nan 0.000 0.475 168 R N 5.739 126.273 120.500 0.056 0.000 2.651 168 R HA 0.550 4.887 4.340 -0.005 0.000 0.282 168 R C 0.405 176.713 176.300 0.013 0.000 1.565 168 R CA 0.138 56.272 56.100 0.057 0.000 1.661 168 R CB 1.043 31.370 30.300 0.045 0.000 1.189 168 R HN 1.106 nan 8.270 nan 0.000 0.621 169 G N 1.363 110.166 108.800 0.006 0.000 2.508 169 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.220 169 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.220 169 G C -0.815 174.060 174.900 -0.043 0.000 1.287 169 G CA -0.181 44.906 45.100 -0.021 0.000 0.916 169 G HN 0.484 nan 8.290 nan 0.000 0.574 170 L N -4.553 116.634 121.223 -0.060 0.000 2.933 170 L HA 0.890 5.227 4.340 -0.005 0.000 0.271 170 L C -0.512 176.316 176.870 -0.070 0.000 1.071 170 L CA -1.299 53.504 54.840 -0.062 0.000 0.938 170 L CB 1.351 43.367 42.059 -0.072 0.000 1.534 170 L HN 1.138 nan 8.230 nan 0.000 0.396 171 V N 0.535 120.419 119.914 -0.051 0.000 2.487 171 V HA 0.939 5.056 4.120 -0.005 0.000 0.298 171 V C 0.042 176.104 176.094 -0.053 0.000 1.028 171 V CA 0.070 62.339 62.300 -0.052 0.000 0.860 171 V CB 1.144 32.957 31.823 -0.018 0.000 0.991 171 V HN 1.137 nan 8.190 nan 0.000 0.427 172 A N 5.170 127.932 122.820 -0.096 0.000 2.356 172 A HA 0.946 5.263 4.320 -0.005 0.000 0.323 172 A C -0.632 176.945 177.584 -0.012 0.000 1.119 172 A CA -0.748 51.252 52.037 -0.062 0.000 0.790 172 A CB 1.739 20.625 19.000 -0.190 0.000 1.273 172 A HN 0.943 nan 8.150 nan 0.000 0.452 173 M N 1.975 121.614 119.600 0.065 0.000 2.180 173 M HA 0.280 4.757 4.480 -0.005 0.000 0.350 173 M C -0.196 176.237 176.300 0.222 0.000 1.125 173 M CA -0.124 55.221 55.300 0.075 0.000 1.031 173 M CB 0.523 33.114 32.600 -0.016 0.000 1.623 173 M HN 0.802 nan 8.290 nan 0.000 0.451 174 N N 4.711 123.572 118.700 0.267 0.000 2.406 174 N HA 0.086 4.823 4.740 -0.005 0.000 0.265 174 N C 0.603 176.149 175.510 0.060 0.000 1.203 174 N CA -0.204 53.018 53.050 0.288 0.000 0.945 174 N CB 0.652 39.306 38.487 0.280 0.000 1.165 174 N HN 0.841 nan 8.380 nan 0.000 0.485 175 M N 2.837 122.415 119.600 -0.038 0.000 2.175 175 M HA -0.146 4.331 4.480 -0.005 0.000 0.264 175 M C 2.047 178.314 176.300 -0.056 0.000 1.063 175 M CA 1.460 56.673 55.300 -0.144 0.000 1.119 175 M CB -0.074 32.350 32.600 -0.293 0.000 1.377 175 M HN 0.626 nan 8.290 nan 0.000 0.415 176 M N 0.354 120.019 119.600 0.109 0.000 2.175 176 M HA -0.144 4.333 4.480 -0.005 0.000 0.264 176 M C 1.848 178.228 176.300 0.133 0.000 1.063 176 M CA 1.748 57.196 55.300 0.246 0.000 1.119 176 M CB -0.087 32.617 32.600 0.174 0.000 1.377 176 M HN 0.106 nan 8.290 nan 0.000 0.415 177 E N -1.320 118.926 120.200 0.076 0.000 2.166 177 E HA 0.170 4.517 4.350 -0.005 0.000 0.192 177 E C 1.201 177.825 176.600 0.040 0.000 0.967 177 E CA 0.906 57.343 56.400 0.062 0.000 0.840 177 E CB -0.088 29.654 29.700 0.069 0.000 0.795 177 E HN 0.556 nan 8.360 nan 0.000 0.470 178 G N 2.652 111.465 108.800 0.022 0.000 2.171 178 G HA2 -0.232 3.725 3.960 -0.005 0.000 0.238 178 G HA3 -0.232 3.725 3.960 -0.005 0.000 0.238 178 G C 0.222 175.125 174.900 0.005 0.000 1.039 178 G CA 0.624 45.720 45.100 -0.007 0.000 0.759 178 G HN 0.316 nan 8.290 nan 0.000 0.501 179 T N -1.395 113.180 114.554 0.033 0.000 2.807 179 T HA 0.716 5.063 4.350 -0.005 0.000 0.279 179 T C -0.003 174.724 174.700 0.046 0.000 0.993 179 T CA -1.017 61.108 62.100 0.041 0.000 0.970 179 T CB 2.229 71.134 68.868 0.062 0.000 0.950 179 T HN 0.489 nan 8.240 nan 0.000 0.441 180 L N 3.124 124.361 121.223 0.024 0.000 2.367 180 L HA 0.588 4.925 4.340 -0.005 0.000 0.275 180 L C 0.092 176.974 176.870 0.020 0.000 1.129 180 L CA -0.267 54.580 54.840 0.011 0.000 0.839 180 L CB 0.646 42.703 42.059 -0.004 0.000 1.133 180 L HN 0.547 nan 8.230 nan 0.000 0.453 181 V N 2.161 122.070 119.914 -0.008 0.000 3.001 181 V HA 0.554 4.671 4.120 -0.005 0.000 0.314 181 V C -0.493 175.569 176.094 -0.054 0.000 1.099 181 V CA -0.808 61.481 62.300 -0.019 0.000 0.989 181 V CB 1.918 33.691 31.823 -0.084 0.000 1.040 181 V HN 0.773 nan 8.190 nan 0.000 0.434 182 Q N 1.962 121.753 119.800 -0.014 0.000 2.309 182 Q HA 0.652 4.989 4.340 -0.005 0.000 0.270 182 Q C -1.633 174.364 176.000 -0.006 0.000 1.023 182 Q CA -0.371 55.420 55.803 -0.020 0.000 0.758 182 Q CB 1.740 30.488 28.738 0.016 0.000 1.247 182 Q HN 0.745 nan 8.270 nan 0.000 0.455 183 I N 3.189 123.699 120.570 -0.101 0.000 2.437 183 I HA 0.529 4.696 4.170 -0.005 0.000 0.298 183 I C -0.258 175.840 176.117 -0.033 0.000 0.984 183 I CA -1.013 60.232 61.300 -0.092 0.000 1.214 183 I CB 1.281 39.099 38.000 -0.304 0.000 1.365 183 I HN 0.384 nan 8.210 nan 0.000 0.469 184 R N 4.672 125.184 120.500 0.019 0.000 2.480 184 R HA 0.864 5.201 4.340 -0.005 0.000 0.306 184 R C -1.221 175.092 176.300 0.023 0.000 0.958 184 R CA -0.932 55.179 56.100 0.018 0.000 0.861 184 R CB 1.782 32.099 30.300 0.028 0.000 1.171 184 R HN 0.773 nan 8.270 nan 0.000 0.445 185 A N 2.058 124.890 122.820 0.021 0.000 2.589 185 A HA 0.377 4.694 4.320 -0.005 0.000 0.296 185 A C -0.515 177.105 177.584 0.060 0.000 1.062 185 A CA -0.797 51.260 52.037 0.034 0.000 0.686 185 A CB 1.290 20.304 19.000 0.023 0.000 1.282 185 A HN 0.566 nan 8.150 nan 0.000 0.404 186 N N 0.477 119.225 118.700 0.080 0.000 2.383 186 N HA 0.379 5.116 4.740 -0.005 0.000 0.192 186 N C -0.013 175.633 175.510 0.227 0.000 1.141 186 N CA 1.091 54.233 53.050 0.153 0.000 0.851 186 N CB 0.713 39.254 38.487 0.090 0.000 0.976 186 N HN 0.933 nan 8.380 nan 0.000 0.465 187 A N -0.239 122.666 122.820 0.142 0.000 2.427 187 A HA 0.672 4.989 4.320 -0.005 0.000 0.298 187 A C -1.055 176.587 177.584 0.096 0.000 1.036 187 A CA -0.511 51.620 52.037 0.157 0.000 0.701 187 A CB 1.487 20.555 19.000 0.113 0.000 1.250 187 A HN -0.085 nan 8.150 nan 0.000 0.412 188 V N 2.346 122.340 119.914 0.134 0.000 2.709 188 V HA 0.602 4.719 4.120 -0.005 0.000 0.308 188 V C -0.535 175.642 176.094 0.138 0.000 1.062 188 V CA -0.584 61.763 62.300 0.078 0.000 0.901 188 V CB 1.906 33.747 31.823 0.030 0.000 1.003 188 V HN 0.752 nan 8.190 nan 0.000 0.425 189 V N 4.919 124.876 119.914 0.072 0.000 2.555 189 V HA 0.536 4.653 4.120 -0.005 0.000 0.302 189 V C -0.230 175.899 176.094 0.059 0.000 1.038 189 V CA -0.638 61.717 62.300 0.091 0.000 0.887 189 V CB 1.978 33.806 31.823 0.008 0.000 0.991 189 V HN 0.731 nan 8.190 nan 0.000 0.434 190 M N 4.159 123.802 119.600 0.073 0.000 2.055 190 M HA 0.529 5.006 4.480 -0.005 0.000 0.346 190 M C 0.046 176.365 176.300 0.032 0.000 1.074 190 M CA -0.239 55.082 55.300 0.036 0.000 1.009 190 M CB 0.889 33.504 32.600 0.024 0.000 1.423 190 M HN 0.785 nan 8.290 nan 0.000 0.410 191 A N 2.410 125.242 122.820 0.019 0.000 3.297 191 A HA 0.408 4.725 4.320 -0.005 0.000 0.304 191 A C 0.936 178.518 177.584 -0.003 0.000 0.963 191 A CA -0.413 51.636 52.037 0.022 0.000 0.935 191 A CB -0.305 18.720 19.000 0.041 0.000 1.093 191 A HN 0.757 nan 8.150 nan 0.000 0.480 192 T N -2.598 111.941 114.554 -0.026 0.000 3.086 192 T HA 0.460 4.807 4.350 -0.005 0.000 0.250 192 T C 1.167 175.830 174.700 -0.062 0.000 1.074 192 T CA 1.012 63.078 62.100 -0.056 0.000 0.988 192 T CB -0.366 68.453 68.868 -0.082 0.000 0.988 192 T HN 2.085 nan 8.240 nan 0.000 0.530 193 G N 0.453 109.225 108.800 -0.046 0.000 2.645 193 G HA2 0.118 4.075 3.960 -0.005 0.000 0.246 193 G HA3 0.118 4.075 3.960 -0.005 0.000 0.246 193 G C 0.357 175.178 174.900 -0.131 0.000 1.322 193 G CA -0.444 44.613 45.100 -0.072 0.000 0.898 193 G HN 0.941 nan 8.290 nan 0.000 0.573 194 G N -1.622 107.052 108.800 -0.209 0.000 2.504 194 G HA2 0.672 4.629 3.960 -0.005 0.000 0.257 194 G HA3 0.672 4.629 3.960 -0.005 0.000 0.257 194 G C 0.615 175.398 174.900 -0.194 0.000 1.451 194 G CA 0.910 45.852 45.100 -0.263 0.000 1.059 194 G HN 2.173 nan 8.290 nan 0.000 0.550 195 A N -1.151 121.557 122.820 -0.188 0.000 3.045 195 A HA 0.577 4.894 4.320 -0.005 0.000 0.244 195 A C 1.411 178.948 177.584 -0.078 0.000 0.917 195 A CA 0.787 52.755 52.037 -0.114 0.000 1.075 195 A CB 0.173 19.124 19.000 -0.082 0.000 1.202 195 A HN 1.095 nan 8.150 nan 0.000 0.486 196 G N 0.460 109.184 108.800 -0.127 0.000 2.418 196 G HA2 -0.195 3.762 3.960 -0.005 0.000 0.217 196 G HA3 -0.195 3.762 3.960 -0.005 0.000 0.217 196 G C 1.439 176.346 174.900 0.011 0.000 1.158 196 G CA 0.546 45.598 45.100 -0.081 0.000 0.771 196 G HN 0.455 nan 8.290 nan 0.000 0.545 197 R N 0.189 120.672 120.500 -0.028 0.000 2.303 197 R HA -0.018 4.319 4.340 -0.005 0.000 0.225 197 R C 2.486 178.783 176.300 -0.005 0.000 1.114 197 R CA 0.442 56.538 56.100 -0.007 0.000 1.007 197 R CB -0.653 29.642 30.300 -0.008 0.000 0.861 197 R HN 0.366 nan 8.270 nan 0.000 0.471 198 V N 0.433 120.340 119.914 -0.012 0.000 2.469 198 V HA -0.227 3.890 4.120 -0.005 0.000 0.251 198 V C 0.909 176.889 176.094 -0.189 0.000 1.064 198 V CA 1.453 63.688 62.300 -0.107 0.000 1.066 198 V CB -0.450 31.279 31.823 -0.156 0.000 0.667 198 V HN 0.113 nan 8.190 nan 0.000 0.461 199 Y N -0.865 119.378 120.300 -0.095 0.000 2.295 199 Y HA 0.257 4.804 4.550 -0.005 0.000 0.331 199 Y C 1.620 177.438 175.900 -0.136 0.000 1.311 199 Y CA -0.087 57.952 58.100 -0.101 0.000 1.430 199 Y CB 0.289 38.691 38.460 -0.097 0.000 1.339 199 Y HN -0.199 nan 8.280 nan 0.000 0.552 200 R N 0.015 120.494 120.500 -0.035 0.000 2.100 200 R HA 0.057 4.394 4.340 -0.005 0.000 0.220 200 R C -0.726 175.424 176.300 -0.249 0.000 1.091 200 R CA 0.762 56.704 56.100 -0.264 0.000 0.986 200 R CB 0.090 30.083 30.300 -0.511 0.000 0.888 200 R HN 0.720 nan 8.270 nan 0.000 0.444 201 Y N 1.372 121.702 120.300 0.050 0.000 2.575 201 Y HA 0.253 4.800 4.550 -0.005 0.000 0.326 201 Y C -0.693 175.160 175.900 -0.078 0.000 0.979 201 Y CA -1.165 56.929 58.100 -0.009 0.000 1.286 201 Y CB 0.901 39.363 38.460 0.003 0.000 1.093 201 Y HN 0.254 nan 8.280 nan 0.000 0.501 202 N N -1.600 117.151 118.700 0.084 0.000 2.774 202 N HA 0.342 5.079 4.740 -0.005 0.000 0.264 202 N C -0.131 175.380 175.510 0.002 0.000 1.415 202 N CA -0.909 52.123 53.050 -0.030 0.000 0.815 202 N CB 1.512 39.968 38.487 -0.051 0.000 1.514 202 N HN 0.151 nan 8.380 nan 0.000 0.523 203 T N -3.134 111.435 114.554 0.025 0.000 3.186 203 T HA 0.297 4.644 4.350 -0.005 0.000 0.257 203 T C -0.399 174.397 174.700 0.160 0.000 1.029 203 T CA -0.419 61.743 62.100 0.102 0.000 0.916 203 T CB -1.018 68.009 68.868 0.265 0.000 1.041 203 T HN 0.469 nan 8.240 nan 0.000 0.562 204 N N 0.558 119.303 118.700 0.075 0.000 2.362 204 N HA 0.513 5.250 4.740 -0.005 0.000 0.299 204 N C 0.031 175.608 175.510 0.112 0.000 1.170 204 N CA -0.795 52.284 53.050 0.048 0.000 0.825 204 N CB 1.937 40.290 38.487 -0.224 0.000 1.299 204 N HN 0.361 nan 8.380 nan 0.000 0.502 205 G N -0.850 108.081 108.800 0.218 0.000 2.539 205 G HA2 0.266 4.223 3.960 -0.005 0.000 0.258 205 G HA3 0.266 4.223 3.960 -0.005 0.000 0.258 205 G C 0.989 175.938 174.900 0.082 0.000 1.202 205 G CA -0.437 44.769 45.100 0.176 0.000 0.851 205 G HN 0.569 nan 8.290 nan 0.000 0.556 206 G N -0.216 108.631 108.800 0.077 0.000 2.653 206 G HA2 -0.062 3.895 3.960 -0.005 0.000 0.212 206 G HA3 -0.062 3.895 3.960 -0.005 0.000 0.212 206 G C 1.285 176.237 174.900 0.087 0.000 1.138 206 G CA 1.124 46.262 45.100 0.063 0.000 0.782 206 G HN 0.819 nan 8.290 nan 0.000 0.535 207 I N -2.923 117.688 120.570 0.068 0.000 4.070 207 I HA 0.282 4.449 4.170 -0.005 0.000 0.328 207 I C 0.237 176.343 176.117 -0.018 0.000 1.298 207 I CA -0.125 61.195 61.300 0.035 0.000 1.173 207 I CB 0.655 38.662 38.000 0.012 0.000 1.051 207 I HN -0.178 nan 8.210 nan 0.000 0.409 208 V N 2.920 122.815 119.914 -0.032 0.000 2.153 208 V HA 0.168 4.285 4.120 -0.005 0.000 0.250 208 V C 0.563 176.617 176.094 -0.066 0.000 1.334 208 V CA 0.343 62.588 62.300 -0.091 0.000 1.249 208 V CB -0.836 30.874 31.823 -0.189 0.000 1.371 208 V HN 0.430 nan 8.190 nan 0.000 0.498 209 T N 0.310 114.840 114.554 -0.041 0.000 3.182 209 T HA 0.324 4.671 4.350 -0.005 0.000 0.277 209 T C 1.408 176.099 174.700 -0.015 0.000 1.013 209 T CA 0.217 62.313 62.100 -0.007 0.000 0.900 209 T CB 0.552 69.456 68.868 0.059 0.000 1.098 209 T HN 0.918 nan 8.240 nan 0.000 0.543 210 G N 2.413 111.181 108.800 -0.052 0.000 2.295 210 G HA2 -0.256 3.701 3.960 -0.005 0.000 0.287 210 G HA3 -0.256 3.701 3.960 -0.005 0.000 0.287 210 G C 0.370 175.266 174.900 -0.008 0.000 1.055 210 G CA 0.335 45.408 45.100 -0.046 0.000 0.922 210 G HN 0.449 nan 8.290 nan 0.000 0.503 211 D N -0.244 120.112 120.400 -0.072 0.000 2.144 211 D HA 0.048 4.685 4.640 -0.005 0.000 0.200 211 D C 2.514 178.777 176.300 -0.061 0.000 0.978 211 D CA 1.674 55.556 54.000 -0.197 0.000 0.833 211 D CB -0.443 40.165 40.800 -0.321 0.000 0.961 211 D HN 0.514 nan 8.370 nan 0.000 0.470 212 G N 0.292 109.067 108.800 -0.041 0.000 2.418 212 G HA2 -0.264 3.693 3.960 -0.005 0.000 0.217 212 G HA3 -0.264 3.693 3.960 -0.005 0.000 0.217 212 G C 1.538 176.461 174.900 0.038 0.000 1.158 212 G CA 0.687 45.786 45.100 -0.000 0.000 0.771 212 G HN 0.203 nan 8.290 nan 0.000 0.545 213 M N 0.730 120.344 119.600 0.023 0.000 2.156 213 M HA 0.123 4.600 4.480 -0.005 0.000 0.264 213 M C 2.818 179.145 176.300 0.044 0.000 1.067 213 M CA 1.287 56.591 55.300 0.006 0.000 1.131 213 M CB -0.349 32.231 32.600 -0.033 0.000 1.368 213 M HN 0.214 nan 8.290 nan 0.000 0.416 214 G N 0.339 109.234 108.800 0.159 0.000 2.462 214 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.220 214 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.220 214 G C 1.515 176.431 174.900 0.026 0.000 1.121 214 G CA 0.849 46.039 45.100 0.150 0.000 0.758 214 G HN 0.390 nan 8.290 nan 0.000 0.559 215 M N 0.431 120.154 119.600 0.204 0.000 2.248 215 M HA 0.206 4.683 4.480 -0.005 0.000 0.265 215 M C 3.031 179.401 176.300 0.117 0.000 1.079 215 M CA 1.097 56.495 55.300 0.164 0.000 1.150 215 M CB -0.086 32.664 32.600 0.250 0.000 1.366 215 M HN 0.218 nan 8.290 nan 0.000 0.433 216 A N 0.597 123.472 122.820 0.091 0.000 1.933 216 A HA -0.132 4.185 4.320 -0.005 0.000 0.218 216 A C 2.104 179.695 177.584 0.012 0.000 1.175 216 A CA 1.266 53.344 52.037 0.069 0.000 0.628 216 A CB -0.772 18.232 19.000 0.008 0.000 0.814 216 A HN 0.376 nan 8.150 nan 0.000 0.444 217 L N 0.048 121.243 121.223 -0.046 0.000 2.127 217 L HA -0.114 4.223 4.340 -0.005 0.000 0.211 217 L C 2.339 179.148 176.870 -0.102 0.000 1.089 217 L CA 2.210 56.996 54.840 -0.091 0.000 0.757 217 L CB -0.444 41.546 42.059 -0.114 0.000 0.899 217 L HN 0.296 nan 8.230 nan 0.000 0.434 218 S N -1.761 113.844 115.700 -0.159 0.000 2.607 218 S HA 0.018 4.485 4.470 -0.005 0.000 0.224 218 S C 0.822 175.174 174.600 -0.415 0.000 0.969 218 S CA 0.218 58.246 58.200 -0.288 0.000 0.927 218 S CB -0.360 62.618 63.200 -0.371 0.000 0.772 218 S HN 0.492 nan 8.310 nan 0.000 0.533 219 H N -0.159 118.899 119.070 -0.020 0.000 2.510 219 H HA 0.312 4.865 4.556 -0.004 0.000 0.266 219 H C 1.357 176.687 175.328 0.004 0.000 1.146 219 H CA 0.245 56.287 56.048 -0.010 0.000 0.993 219 H CB 0.169 29.922 29.762 -0.015 0.000 1.727 219 H HN 0.409 nan 8.280 nan 0.000 0.590 220 G N 1.229 110.085 108.800 0.093 0.000 2.160 220 G HA2 -0.279 3.678 3.960 -0.005 0.000 0.251 220 G HA3 -0.279 3.678 3.960 -0.005 0.000 0.251 220 G C 0.144 175.124 174.900 0.134 0.000 1.008 220 G CA 0.418 45.598 45.100 0.134 0.000 0.724 220 G HN 0.247 nan 8.290 nan 0.000 0.514 221 V N 2.634 122.569 119.914 0.036 0.000 2.407 221 V HA 0.469 4.586 4.120 -0.005 0.000 0.278 221 V C -1.389 174.549 176.094 -0.259 0.000 1.037 221 V CA -1.549 60.714 62.300 -0.061 0.000 0.900 221 V CB 1.733 33.526 31.823 -0.050 0.000 0.983 221 V HN 0.214 nan 8.190 nan 0.000 0.459 222 P HA 0.205 nan 4.420 nan 0.000 0.276 222 P C -0.845 176.186 177.300 -0.449 0.000 1.235 222 P CA -0.098 62.492 63.100 -0.849 0.000 0.772 222 P CB 0.757 31.959 31.700 -0.831 0.000 0.871 223 L N 3.986 124.961 121.223 -0.414 0.000 2.257 223 L HA 0.405 4.742 4.340 -0.005 0.000 0.290 223 L C 1.187 177.927 176.870 -0.216 0.000 1.044 223 L CA -0.571 54.119 54.840 -0.249 0.000 0.810 223 L CB 0.727 42.669 42.059 -0.196 0.000 1.193 223 L HN 0.351 nan 8.230 nan 0.000 0.425 224 R N 3.545 123.954 120.500 -0.152 0.000 2.297 224 R HA 0.188 4.525 4.340 -0.005 0.000 0.308 224 R C -0.580 175.716 176.300 -0.007 0.000 1.029 224 R CA -0.327 55.722 56.100 -0.086 0.000 0.929 224 R CB 0.692 30.930 30.300 -0.103 0.000 1.046 224 R HN 0.613 nan 8.270 nan 0.000 0.461 225 D N 3.907 124.339 120.400 0.053 0.000 2.723 225 D HA -0.168 4.469 4.640 -0.005 0.000 0.236 225 D C 0.353 176.639 176.300 -0.023 0.000 1.138 225 D CA 0.683 54.761 54.000 0.130 0.000 0.676 225 D CB -0.418 40.653 40.800 0.451 0.000 1.069 225 D HN 0.569 nan 8.370 nan 0.000 0.430 226 M N -0.169 119.359 119.600 -0.119 0.000 2.686 226 M HA -0.061 4.416 4.480 -0.005 0.000 0.246 226 M C 1.972 178.163 176.300 -0.182 0.000 1.096 226 M CA 0.969 56.197 55.300 -0.120 0.000 1.076 226 M CB -0.284 32.248 32.600 -0.112 0.000 1.504 226 M HN 0.333 nan 8.290 nan 0.000 0.524 227 E N -0.490 119.461 120.200 -0.414 0.000 2.250 227 E HA -0.076 4.271 4.350 -0.005 0.000 0.192 227 E C -0.076 176.304 176.600 -0.367 0.000 0.986 227 E CA 0.281 56.386 56.400 -0.490 0.000 0.849 227 E CB -0.450 28.776 29.700 -0.789 0.000 0.797 227 E HN 0.393 nan 8.360 nan 0.000 0.482 228 F N 2.479 122.462 119.950 0.056 0.000 2.509 228 F HA 0.234 4.758 4.527 -0.005 0.000 0.350 228 F C -0.134 175.720 175.800 0.090 0.000 1.220 228 F CA -0.708 57.349 58.000 0.095 0.000 1.151 228 F CB 0.695 39.756 39.000 0.102 0.000 1.379 228 F HN -0.296 nan 8.300 nan 0.000 0.610 229 V N 3.445 123.499 119.914 0.233 0.000 2.357 229 V HA 0.238 4.355 4.120 -0.005 0.000 0.284 229 V C 0.039 176.234 176.094 0.168 0.000 1.018 229 V CA -0.893 61.495 62.300 0.145 0.000 0.841 229 V CB 1.280 33.178 31.823 0.125 0.000 0.991 229 V HN 0.636 nan 8.190 nan 0.000 0.437 230 Q N 2.803 122.680 119.800 0.128 0.000 2.354 230 Q HA 0.429 4.766 4.340 -0.005 0.000 0.244 230 Q C -1.724 174.338 176.000 0.103 0.000 0.969 230 Q CA -0.164 55.742 55.803 0.172 0.000 0.885 230 Q CB 0.994 29.854 28.738 0.204 0.000 1.241 230 Q HN 0.668 nan 8.270 nan 0.000 0.461 231 Y N 0.771 121.062 120.300 -0.016 0.000 2.391 231 Y HA 0.240 4.787 4.550 -0.005 0.000 0.341 231 Y C -0.854 175.017 175.900 -0.047 0.000 0.965 231 Y CA -0.812 57.245 58.100 -0.072 0.000 1.067 231 Y CB 1.601 39.930 38.460 -0.217 0.000 1.199 231 Y HN 0.703 nan 8.280 nan 0.000 0.450 232 H N 5.713 124.735 119.070 -0.080 0.000 2.690 232 H HA 0.198 4.751 4.556 -0.005 0.000 0.314 232 H C -1.694 173.561 175.328 -0.122 0.000 1.069 232 H CA -1.822 54.115 56.048 -0.184 0.000 1.436 232 H CB 1.397 30.907 29.762 -0.420 0.000 1.462 232 H HN 0.333 nan 8.280 nan 0.000 0.511 233 P HA -0.120 nan 4.420 nan 0.000 0.218 233 P C -0.152 177.021 177.300 -0.211 0.000 1.148 233 P CA 1.205 64.135 63.100 -0.283 0.000 0.822 233 P CB 0.200 31.732 31.700 -0.280 0.000 0.784 234 T N -2.539 111.922 114.554 -0.156 0.000 2.833 234 T HA 0.723 5.070 4.350 -0.005 0.000 0.297 234 T C -0.037 174.745 174.700 0.138 0.000 1.015 234 T CA -0.718 61.394 62.100 0.019 0.000 0.963 234 T CB 1.737 70.635 68.868 0.049 0.000 0.955 234 T HN 0.133 nan 8.240 nan 0.000 0.449 235 G N 2.508 111.311 108.800 0.005 0.000 2.646 235 G HA2 0.556 4.513 3.960 -0.005 0.000 0.291 235 G HA3 0.556 4.513 3.960 -0.005 0.000 0.291 235 G C -1.099 173.764 174.900 -0.062 0.000 1.445 235 G CA -1.185 43.898 45.100 -0.028 0.000 0.814 235 G HN 0.858 nan 8.290 nan 0.000 0.495 236 L N 1.947 123.131 121.223 -0.065 0.000 2.461 236 L HA 0.275 4.612 4.340 -0.005 0.000 0.272 236 L C -1.568 175.235 176.870 -0.112 0.000 1.197 236 L CA -1.310 53.493 54.840 -0.063 0.000 0.836 236 L CB 0.897 42.923 42.059 -0.055 0.000 1.105 236 L HN 0.295 nan 8.230 nan 0.000 0.477 237 P HA 0.100 nan 4.420 nan 0.000 0.275 237 P C 0.643 177.839 177.300 -0.174 0.000 1.228 237 P CA 0.463 63.456 63.100 -0.178 0.000 0.786 237 P CB 1.443 33.079 31.700 -0.107 0.000 0.927 238 G N 2.623 111.246 108.800 -0.296 0.000 4.236 238 G HA2 -0.399 3.558 3.960 -0.005 0.000 0.222 238 G HA3 -0.399 3.558 3.960 -0.005 0.000 0.222 238 G C 1.436 176.312 174.900 -0.039 0.000 1.354 238 G CA 1.005 46.021 45.100 -0.139 0.000 0.966 238 G HN 0.646 nan 8.290 nan 0.000 0.624 239 S N 0.809 116.468 115.700 -0.069 0.000 2.428 239 S HA 0.308 4.775 4.470 -0.005 0.000 0.230 239 S C 2.717 177.264 174.600 -0.088 0.000 1.014 239 S CA 1.740 59.884 58.200 -0.094 0.000 0.957 239 S CB -0.403 62.685 63.200 -0.186 0.000 0.784 239 S HN 2.644 nan 8.310 nan 0.000 0.499 240 G N 1.366 110.107 108.800 -0.098 0.000 2.189 240 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.267 240 G HA3 -0.284 3.673 3.960 -0.005 0.000 0.267 240 G C 0.128 174.978 174.900 -0.084 0.000 0.975 240 G CA 0.397 45.453 45.100 -0.074 0.000 0.644 240 G HN 0.647 nan 8.290 nan 0.000 0.537 241 I N 0.637 121.131 120.570 -0.127 0.000 2.752 241 I HA 0.263 4.430 4.170 -0.005 0.000 0.287 241 I C 1.116 177.165 176.117 -0.113 0.000 1.188 241 I CA -0.384 60.830 61.300 -0.144 0.000 1.427 241 I CB 0.826 38.678 38.000 -0.246 0.000 1.365 241 I HN 0.204 nan 8.210 nan 0.000 0.585 242 L N 6.258 127.411 121.223 -0.116 0.000 2.326 242 L HA 0.369 4.706 4.340 -0.005 0.000 0.278 242 L C -0.486 176.311 176.870 -0.122 0.000 1.092 242 L CA -0.363 54.386 54.840 -0.153 0.000 0.810 242 L CB 0.857 42.761 42.059 -0.258 0.000 1.153 242 L HN 0.545 nan 8.230 nan 0.000 0.439 243 M N 4.860 124.424 119.600 -0.060 0.000 2.047 243 M HA 0.242 4.719 4.480 -0.005 0.000 0.342 243 M C 0.148 176.496 176.300 0.081 0.000 1.058 243 M CA -0.059 55.247 55.300 0.010 0.000 0.991 243 M CB 1.417 34.047 32.600 0.050 0.000 1.474 243 M HN 0.683 nan 8.290 nan 0.000 0.419 244 T N 0.686 115.280 114.554 0.067 0.000 2.908 244 T HA -0.054 4.293 4.350 -0.005 0.000 0.325 244 T C 1.184 176.073 174.700 0.314 0.000 1.092 244 T CA 0.358 62.562 62.100 0.174 0.000 1.125 244 T CB 0.486 69.484 68.868 0.216 0.000 1.016 244 T HN 0.858 nan 8.240 nan 0.000 0.550 245 E N 2.009 122.480 120.200 0.451 0.000 2.396 245 E HA -0.107 4.240 4.350 -0.005 0.000 0.200 245 E C 1.996 178.559 176.600 -0.062 0.000 1.023 245 E CA 0.999 57.506 56.400 0.179 0.000 0.857 245 E CB -0.828 28.958 29.700 0.142 0.000 0.775 245 E HN 0.956 nan 8.360 nan 0.000 0.525 246 G N 0.819 109.695 108.800 0.127 0.000 2.440 246 G HA2 -0.330 3.627 3.960 -0.005 0.000 0.218 246 G HA3 -0.330 3.627 3.960 -0.005 0.000 0.218 246 G C 1.683 176.590 174.900 0.012 0.000 1.154 246 G CA 0.981 46.109 45.100 0.047 0.000 0.767 246 G HN 0.409 nan 8.290 nan 0.000 0.552 247 C N 1.099 120.433 119.300 0.057 0.000 2.376 247 C HA -0.125 4.332 4.460 -0.005 0.000 0.275 247 C C 2.922 177.917 174.990 0.008 0.000 1.200 247 C CA 1.327 60.368 59.018 0.038 0.000 1.756 247 C CB -0.951 26.823 27.740 0.056 0.000 2.050 247 C HN 0.641 nan 8.230 nan 0.000 0.460 248 R N 1.283 121.779 120.500 -0.007 0.000 2.240 248 R HA 0.102 4.439 4.340 -0.005 0.000 0.203 248 R C 2.293 178.558 176.300 -0.058 0.000 1.011 248 R CA 1.263 57.351 56.100 -0.020 0.000 1.007 248 R CB -0.919 29.368 30.300 -0.022 0.000 0.911 248 R HN 0.509 nan 8.270 nan 0.000 0.468 249 G N 2.268 110.999 108.800 -0.114 0.000 2.442 249 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.219 249 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.219 249 G C 1.200 176.046 174.900 -0.091 0.000 1.141 249 G CA 0.534 45.537 45.100 -0.162 0.000 0.763 249 G HN 0.282 nan 8.290 nan 0.000 0.554 250 E N 0.098 120.265 120.200 -0.055 0.000 2.489 250 E HA 0.189 4.536 4.350 -0.005 0.000 0.193 250 E C 1.638 178.236 176.600 -0.004 0.000 1.057 250 E CA 0.639 57.023 56.400 -0.025 0.000 0.866 250 E CB 0.215 29.909 29.700 -0.011 0.000 0.916 250 E HN 0.517 nan 8.360 nan 0.000 0.500 251 G N 1.012 109.815 108.800 0.005 0.000 2.148 251 G HA2 -0.161 3.796 3.960 -0.005 0.000 0.157 251 G HA3 -0.161 3.796 3.960 -0.005 0.000 0.157 251 G C 0.571 175.548 174.900 0.129 0.000 1.012 251 G CA -0.313 44.817 45.100 0.051 0.000 0.677 251 G HN 0.463 nan 8.290 nan 0.000 0.506 252 G N 0.027 108.873 108.800 0.077 0.000 2.544 252 G HA2 0.634 4.591 3.960 -0.005 0.000 0.242 252 G HA3 0.634 4.591 3.960 -0.005 0.000 0.242 252 G C 0.439 175.423 174.900 0.140 0.000 1.247 252 G CA 0.279 45.449 45.100 0.117 0.000 0.840 252 G HN 1.471 nan 8.290 nan 0.000 0.578 253 I N -1.893 118.792 120.570 0.191 0.000 2.957 253 I HA 0.700 4.867 4.170 -0.005 0.000 0.310 253 I C -0.817 175.331 176.117 0.052 0.000 1.063 253 I CA -1.406 59.936 61.300 0.070 0.000 1.033 253 I CB 2.325 40.316 38.000 -0.015 0.000 1.230 253 I HN 0.228 nan 8.210 nan 0.000 0.447 254 L N 4.845 126.043 121.223 -0.042 0.000 2.318 254 L HA 0.622 4.959 4.340 -0.005 0.000 0.277 254 L C -0.433 176.369 176.870 -0.113 0.000 1.008 254 L CA -0.791 54.018 54.840 -0.051 0.000 0.846 254 L CB 1.616 43.583 42.059 -0.153 0.000 1.220 254 L HN 0.623 nan 8.230 nan 0.000 0.423 255 V N 0.263 120.274 119.914 0.160 0.000 2.960 255 V HA 0.692 4.810 4.120 -0.005 0.000 0.315 255 V C -0.483 175.890 176.094 0.466 0.000 1.087 255 V CA -0.780 61.679 62.300 0.265 0.000 0.982 255 V CB 1.968 33.922 31.823 0.218 0.000 1.039 255 V HN 0.772 nan 8.190 nan 0.000 0.437 256 N N 1.138 120.115 118.700 0.462 0.000 2.681 256 N HA 0.333 5.070 4.740 -0.005 0.000 0.311 256 N C 0.685 176.339 175.510 0.239 0.000 1.303 256 N CA -0.400 52.830 53.050 0.301 0.000 0.926 256 N CB 0.289 38.930 38.487 0.257 0.000 1.136 256 N HN 0.859 nan 8.380 nan 0.000 0.592 257 K N -1.548 118.939 120.400 0.145 0.000 2.519 257 K HA -0.003 4.314 4.320 -0.005 0.000 0.196 257 K C -0.100 176.586 176.600 0.143 0.000 1.041 257 K CA 1.126 57.493 56.287 0.135 0.000 0.954 257 K CB -0.330 32.209 32.500 0.066 0.000 0.774 257 K HN 0.390 nan 8.250 nan 0.000 0.480 258 N N 0.622 119.420 118.700 0.163 0.000 2.234 258 N HA 0.071 4.808 4.740 -0.005 0.000 0.227 258 N C -0.015 175.607 175.510 0.186 0.000 1.151 258 N CA 0.591 53.727 53.050 0.142 0.000 0.865 258 N CB 1.271 39.816 38.487 0.097 0.000 1.066 258 N HN 0.470 nan 8.380 nan 0.000 0.515 259 G N 1.620 110.551 108.800 0.218 0.000 2.321 259 G HA2 -0.324 3.633 3.960 -0.005 0.000 0.287 259 G HA3 -0.324 3.633 3.960 -0.005 0.000 0.287 259 G C -0.337 174.698 174.900 0.226 0.000 1.018 259 G CA 0.499 45.719 45.100 0.201 0.000 0.855 259 G HN 0.510 nan 8.290 nan 0.000 0.507 260 Y N 0.474 120.851 120.300 0.127 0.000 2.330 260 Y HA 0.607 5.154 4.550 -0.005 0.000 0.336 260 Y C 0.817 176.790 175.900 0.121 0.000 1.036 260 Y CA -1.914 56.251 58.100 0.107 0.000 1.125 260 Y CB 0.855 39.382 38.460 0.112 0.000 1.194 260 Y HN 0.167 nan 8.280 nan 0.000 0.469 261 R N 6.802 127.031 120.500 -0.450 0.000 2.605 261 R HA 0.009 4.346 4.340 -0.005 0.000 0.271 261 R C 0.013 175.811 176.300 -0.837 0.000 1.418 261 R CA 0.079 55.856 56.100 -0.538 0.000 1.102 261 R CB -0.422 29.655 30.300 -0.372 0.000 1.131 261 R HN 0.859 nan 8.270 nan 0.000 0.554 262 Y N 0.114 120.178 120.300 -0.393 0.000 2.439 262 Y HA -0.051 4.496 4.550 -0.005 0.000 0.292 262 Y C 1.306 177.201 175.900 -0.008 0.000 1.130 262 Y CA 0.404 58.382 58.100 -0.204 0.000 1.254 262 Y CB -0.329 38.249 38.460 0.196 0.000 1.000 262 Y HN 0.332 nan 8.280 nan 0.000 0.554 263 L N 1.421 122.544 121.223 -0.167 0.000 2.349 263 L HA -0.223 4.114 4.340 -0.005 0.000 0.220 263 L C 2.636 179.558 176.870 0.087 0.000 1.130 263 L CA 1.679 56.579 54.840 0.101 0.000 0.791 263 L CB -0.626 41.389 42.059 -0.074 0.000 0.918 263 L HN 0.495 nan 8.230 nan 0.000 0.444 264 Q N -1.233 118.543 119.800 -0.041 0.000 2.378 264 Q HA -0.159 4.178 4.340 -0.005 0.000 0.205 264 Q C 0.952 176.947 176.000 -0.009 0.000 0.954 264 Q CA 1.109 56.905 55.803 -0.012 0.000 0.901 264 Q CB -0.099 28.613 28.738 -0.042 0.000 0.981 264 Q HN 0.351 nan 8.270 nan 0.000 0.483 265 D N 0.506 120.856 120.400 -0.084 0.000 2.194 265 D HA -0.076 4.562 4.640 -0.005 0.000 0.204 265 D C 0.280 176.365 176.300 -0.358 0.000 0.964 265 D CA 0.930 54.762 54.000 -0.280 0.000 0.846 265 D CB 0.051 40.529 40.800 -0.537 0.000 0.962 265 D HN 0.459 nan 8.370 nan 0.000 0.490 266 Y N -0.951 119.424 120.300 0.125 0.000 2.625 266 Y HA 0.403 4.950 4.550 -0.005 0.000 0.285 266 Y C 1.642 177.592 175.900 0.082 0.000 1.168 266 Y CA -0.095 58.069 58.100 0.108 0.000 1.250 266 Y CB 0.768 39.335 38.460 0.179 0.000 1.130 266 Y HN -0.010 nan 8.280 nan 0.000 0.526 267 G N -0.137 108.748 108.800 0.142 0.000 2.195 267 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.224 267 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.224 267 G C 0.729 175.688 174.900 0.098 0.000 0.990 267 G CA 0.171 45.334 45.100 0.106 0.000 0.639 267 G HN 0.368 nan 8.290 nan 0.000 0.514 268 M N 1.762 121.430 119.600 0.114 0.000 2.568 268 M HA 0.340 4.817 4.480 -0.005 0.000 0.226 268 M C 1.669 178.060 176.300 0.152 0.000 1.148 268 M CA 0.796 56.153 55.300 0.096 0.000 1.007 268 M CB 0.331 32.979 32.600 0.080 0.000 1.651 268 M HN 0.361 nan 8.290 nan 0.000 0.488 269 G N 0.899 109.777 108.800 0.131 0.000 2.563 269 G HA2 0.467 4.424 3.960 -0.005 0.000 0.283 269 G HA3 0.467 4.424 3.960 -0.005 0.000 0.283 269 G C -2.381 172.618 174.900 0.164 0.000 1.309 269 G CA -0.962 44.208 45.100 0.116 0.000 1.022 269 G HN 0.107 nan 8.290 nan 0.000 0.501 270 P HA 0.180 nan 4.420 nan 0.000 0.274 270 P C -0.294 177.001 177.300 -0.007 0.000 1.256 270 P CA -0.498 62.612 63.100 0.016 0.000 0.795 270 P CB 0.836 32.527 31.700 -0.015 0.000 1.038 271 E N 0.239 120.427 120.200 -0.021 0.000 2.417 271 E HA 0.075 4.422 4.350 -0.005 0.000 0.261 271 E C -0.083 176.484 176.600 -0.056 0.000 1.000 271 E CA -0.145 56.230 56.400 -0.042 0.000 0.919 271 E CB 0.283 29.956 29.700 -0.044 0.000 0.955 271 E HN 0.421 nan 8.360 nan 0.000 0.455 272 T N 3.101 117.621 114.554 -0.058 0.000 2.913 272 T HA 0.301 4.648 4.350 -0.005 0.000 0.297 272 T C -2.174 172.491 174.700 -0.060 0.000 1.029 272 T CA -1.666 60.395 62.100 -0.066 0.000 1.104 272 T CB 0.990 69.829 68.868 -0.049 0.000 0.964 272 T HN 0.307 nan 8.240 nan 0.000 0.532 273 P HA 0.103 nan 4.420 nan 0.000 0.268 273 P C 1.162 178.434 177.300 -0.048 0.000 1.205 273 P CA -0.433 62.638 63.100 -0.048 0.000 0.771 273 P CB 0.745 32.420 31.700 -0.041 0.000 0.858 274 L N 2.103 123.290 121.223 -0.060 0.000 2.081 274 L HA -0.223 4.114 4.340 -0.005 0.000 0.212 274 L C 2.534 179.394 176.870 -0.017 0.000 1.080 274 L CA 2.242 57.036 54.840 -0.077 0.000 0.754 274 L CB -0.995 40.988 42.059 -0.126 0.000 0.893 274 L HN 0.597 nan 8.230 nan 0.000 0.433 275 G N -0.023 108.773 108.800 -0.006 0.000 2.453 275 G HA2 -0.206 3.752 3.960 -0.005 0.000 0.215 275 G HA3 -0.206 3.752 3.960 -0.005 0.000 0.215 275 G C 0.392 175.299 174.900 0.012 0.000 1.201 275 G CA 0.533 45.641 45.100 0.014 0.000 0.784 275 G HN 0.574 nan 8.290 nan 0.000 0.545 276 E N 1.306 121.503 120.200 -0.006 0.000 2.155 276 E HA 0.512 4.859 4.350 -0.005 0.000 0.264 276 E C -2.876 173.714 176.600 -0.016 0.000 0.886 276 E CA -2.473 53.921 56.400 -0.010 0.000 0.752 276 E CB 2.690 32.380 29.700 -0.018 0.000 1.133 276 E HN 0.144 nan 8.360 nan 0.000 0.414 277 P HA 0.302 nan 4.420 nan 0.000 0.280 277 P C -1.024 176.276 177.300 0.000 0.000 1.272 277 P CA -0.818 62.279 63.100 -0.006 0.000 0.819 277 P CB 1.118 32.816 31.700 -0.003 0.000 1.122 278 K N 0.564 120.982 120.400 0.031 0.000 2.385 278 K HA 0.399 4.716 4.320 -0.005 0.000 0.248 278 K C -0.494 176.178 176.600 0.120 0.000 0.955 278 K CA -0.844 55.486 56.287 0.072 0.000 0.816 278 K CB 0.899 33.438 32.500 0.064 0.000 1.250 278 K HN 0.295 nan 8.250 nan 0.000 0.434 279 N N 2.458 121.220 118.700 0.103 0.000 2.497 279 N HA 0.143 4.880 4.740 -0.005 0.000 0.268 279 N C -0.801 174.751 175.510 0.070 0.000 1.171 279 N CA 0.530 53.614 53.050 0.058 0.000 0.948 279 N CB 0.347 38.848 38.487 0.022 0.000 1.069 279 N HN 0.592 nan 8.380 nan 0.000 0.460 280 K N 0.763 121.136 120.400 -0.046 0.000 3.467 280 K HA -0.227 4.090 4.320 -0.005 0.000 0.309 280 K C -1.202 175.137 176.600 -0.435 0.000 1.350 280 K CA 0.978 57.131 56.287 -0.223 0.000 0.934 280 K CB -2.345 29.979 32.500 -0.294 0.000 1.312 280 K HN 0.647 nan 8.250 nan 0.000 0.461 281 Y N -0.012 120.278 120.300 -0.016 0.000 2.477 281 Y HA 0.447 4.994 4.550 -0.005 0.000 0.347 281 Y C 1.478 177.360 175.900 -0.030 0.000 0.981 281 Y CA -1.087 57.003 58.100 -0.017 0.000 1.033 281 Y CB 1.237 39.686 38.460 -0.018 0.000 1.245 281 Y HN -0.158 nan 8.280 nan 0.000 0.455 282 M N -0.390 119.286 119.600 0.126 0.000 7.319 282 M HA -0.371 4.106 4.480 -0.005 0.000 0.305 282 M C 1.567 177.860 176.300 -0.012 0.000 0.480 282 M CA 1.949 57.267 55.300 0.031 0.000 1.311 282 M CB -1.300 31.302 32.600 0.003 0.000 0.421 282 M HN 0.845 nan 8.290 nan 0.000 0.673 283 E N 0.656 120.833 120.200 -0.039 0.000 2.267 283 E HA -0.089 4.258 4.350 -0.005 0.000 0.197 283 E C 1.668 178.241 176.600 -0.044 0.000 0.998 283 E CA 1.306 57.675 56.400 -0.052 0.000 0.830 283 E CB -0.242 29.429 29.700 -0.048 0.000 0.751 283 E HN 0.547 nan 8.360 nan 0.000 0.491 284 L N 1.063 122.269 121.223 -0.028 0.000 2.685 284 L HA 0.216 4.553 4.340 -0.005 0.000 0.233 284 L C 0.960 177.803 176.870 -0.045 0.000 1.173 284 L CA 0.014 54.829 54.840 -0.042 0.000 0.961 284 L CB 0.135 42.176 42.059 -0.030 0.000 1.217 284 L HN -0.061 nan 8.230 nan 0.000 0.478 285 G N -0.122 108.653 108.800 -0.041 0.000 2.636 285 G HA2 0.283 4.240 3.960 -0.005 0.000 0.246 285 G HA3 0.283 4.240 3.960 -0.005 0.000 0.246 285 G C -2.370 172.497 174.900 -0.055 0.000 1.216 285 G CA -0.821 44.245 45.100 -0.057 0.000 0.854 285 G HN 0.070 nan 8.290 nan 0.000 0.572 286 P HA 0.009 nan 4.420 nan 0.000 0.261 286 P C 1.085 178.363 177.300 -0.037 0.000 1.183 286 P CA -0.210 62.866 63.100 -0.039 0.000 0.761 286 P CB 0.716 32.399 31.700 -0.029 0.000 0.785 287 R N 4.108 124.582 120.500 -0.042 0.000 2.196 287 R HA -0.336 4.001 4.340 -0.005 0.000 0.244 287 R C 0.730 176.986 176.300 -0.074 0.000 1.121 287 R CA 2.911 58.973 56.100 -0.064 0.000 0.930 287 R CB -0.920 29.354 30.300 -0.044 0.000 0.890 287 R HN 0.435 nan 8.270 nan 0.000 0.435 288 D N -0.003 120.364 120.400 -0.055 0.000 2.127 288 D HA -0.193 4.444 4.640 -0.005 0.000 0.190 288 D C 1.971 178.221 176.300 -0.084 0.000 1.000 288 D CA 2.154 56.108 54.000 -0.076 0.000 0.839 288 D CB -0.179 40.601 40.800 -0.033 0.000 0.955 288 D HN 0.401 nan 8.370 nan 0.000 0.446 289 K N 0.368 120.754 120.400 -0.024 0.000 2.059 289 K HA -0.169 4.148 4.320 -0.005 0.000 0.212 289 K C 2.221 178.821 176.600 -0.000 0.000 1.050 289 K CA 1.178 57.476 56.287 0.018 0.000 0.927 289 K CB -0.464 32.068 32.500 0.052 0.000 0.714 289 K HN 0.049 nan 8.250 nan 0.000 0.447 290 V N 1.098 121.003 119.914 -0.014 0.000 2.255 290 V HA -0.279 3.838 4.120 -0.005 0.000 0.247 290 V C 2.277 178.348 176.094 -0.038 0.000 1.051 290 V CA 2.029 64.331 62.300 0.003 0.000 1.018 290 V CB -0.500 31.306 31.823 -0.029 0.000 0.641 290 V HN 0.287 nan 8.190 nan 0.000 0.445 291 S N -0.583 115.034 115.700 -0.138 0.000 2.356 291 S HA -0.285 4.182 4.470 -0.005 0.000 0.223 291 S C 2.007 176.400 174.600 -0.345 0.000 1.032 291 S CA 1.800 59.850 58.200 -0.249 0.000 1.005 291 S CB -0.359 62.647 63.200 -0.322 0.000 0.867 291 S HN 0.701 nan 8.310 nan 0.000 0.449 292 Q N 0.893 120.455 119.800 -0.397 0.000 2.170 292 Q HA -0.016 4.321 4.340 -0.005 0.000 0.203 292 Q C 2.432 178.090 176.000 -0.571 0.000 0.976 292 Q CA 1.249 56.705 55.803 -0.580 0.000 0.858 292 Q CB -0.407 28.096 28.738 -0.392 0.000 0.907 292 Q HN 0.589 nan 8.270 nan 0.000 0.433 293 A N 0.749 123.395 122.820 -0.289 0.000 1.986 293 A HA -0.226 4.091 4.320 -0.005 0.000 0.220 293 A C 1.851 179.282 177.584 -0.256 0.000 1.171 293 A CA 1.304 53.132 52.037 -0.348 0.000 0.640 293 A CB -0.777 18.227 19.000 0.007 0.000 0.811 293 A HN 0.496 nan 8.150 nan 0.000 0.451 294 F N -1.097 118.727 119.950 -0.209 0.000 2.084 294 F HA -0.166 4.358 4.527 -0.005 0.000 0.296 294 F C 2.240 178.097 175.800 0.094 0.000 1.111 294 F CA 1.614 59.558 58.000 -0.094 0.000 1.224 294 F CB -0.428 38.546 39.000 -0.044 0.000 0.991 294 F HN 0.445 nan 8.300 nan 0.000 0.471 295 W N 0.537 121.742 121.300 -0.158 0.000 2.318 295 W HA -0.307 4.350 4.660 -0.005 0.000 0.313 295 W C 2.644 179.123 176.519 -0.068 0.000 1.221 295 W CA 1.733 59.000 57.345 -0.131 0.000 1.266 295 W CB -0.789 28.550 29.460 -0.202 0.000 1.150 295 W HN 0.268 nan 8.180 nan 0.000 0.496 296 H N -0.578 118.590 119.070 0.164 0.000 2.319 296 H HA -0.184 4.369 4.556 -0.005 0.000 0.299 296 H C 2.160 177.509 175.328 0.036 0.000 1.092 296 H CA 1.520 57.614 56.048 0.078 0.000 1.302 296 H CB -0.310 29.403 29.762 -0.081 0.000 1.373 296 H HN -0.049 nan 8.280 nan 0.000 0.497 297 E N 0.318 120.526 120.200 0.013 0.000 2.085 297 E HA -0.211 4.136 4.350 -0.005 0.000 0.194 297 E C 1.993 178.489 176.600 -0.172 0.000 0.994 297 E CA 0.880 57.202 56.400 -0.130 0.000 0.801 297 E CB -0.541 28.875 29.700 -0.473 0.000 0.743 297 E HN 0.578 nan 8.360 nan 0.000 0.453 298 W N 2.450 123.488 121.300 -0.437 0.000 2.335 298 W HA -0.201 4.456 4.660 -0.005 0.000 0.311 298 W C 2.191 178.554 176.519 -0.259 0.000 1.213 298 W CA 1.981 59.068 57.345 -0.430 0.000 1.274 298 W CB -0.068 29.056 29.460 -0.559 0.000 1.148 298 W HN -0.045 nan 8.180 nan 0.000 0.498 299 R N 0.233 120.626 120.500 -0.177 0.000 2.096 299 R HA -0.110 4.227 4.340 -0.005 0.000 0.235 299 R C 1.973 178.114 176.300 -0.265 0.000 1.127 299 R CA 1.470 57.392 56.100 -0.297 0.000 0.968 299 R CB -0.858 29.428 30.300 -0.025 0.000 0.861 299 R HN 0.271 nan 8.270 nan 0.000 0.440 300 K N -0.068 120.247 120.400 -0.142 0.000 2.362 300 K HA -0.044 4.273 4.320 -0.005 0.000 0.200 300 K C 0.836 177.334 176.600 -0.170 0.000 1.046 300 K CA 0.782 57.006 56.287 -0.104 0.000 0.952 300 K CB 0.044 32.537 32.500 -0.012 0.000 0.753 300 K HN 0.459 nan 8.250 nan 0.000 0.466 301 G N 1.671 110.306 108.800 -0.275 0.000 2.171 301 G HA2 -0.194 3.763 3.960 -0.005 0.000 0.238 301 G HA3 -0.194 3.763 3.960 -0.005 0.000 0.238 301 G C -0.089 174.706 174.900 -0.174 0.000 1.039 301 G CA 0.124 45.056 45.100 -0.280 0.000 0.759 301 G HN 0.264 nan 8.290 nan 0.000 0.501 302 N N 0.649 119.260 118.700 -0.149 0.000 2.279 302 N HA 0.167 4.904 4.740 -0.005 0.000 0.226 302 N C 0.853 176.310 175.510 -0.087 0.000 1.126 302 N CA 0.827 53.830 53.050 -0.079 0.000 0.846 302 N CB 0.683 39.154 38.487 -0.026 0.000 1.050 302 N HN 0.761 nan 8.380 nan 0.000 0.502 303 T N -1.585 112.897 114.554 -0.120 0.000 2.907 303 T HA 0.599 4.946 4.350 -0.005 0.000 0.284 303 T C 0.372 175.049 174.700 -0.038 0.000 1.004 303 T CA -0.704 61.345 62.100 -0.086 0.000 1.063 303 T CB 1.443 70.281 68.868 -0.049 0.000 0.992 303 T HN -0.153 nan 8.240 nan 0.000 0.483 304 I N 2.248 122.790 120.570 -0.046 0.000 2.474 304 I HA 0.285 4.452 4.170 -0.005 0.000 0.287 304 I C 0.872 176.996 176.117 0.013 0.000 1.048 304 I CA 0.085 61.370 61.300 -0.024 0.000 1.383 304 I CB 1.408 39.358 38.000 -0.082 0.000 1.412 304 I HN 0.683 nan 8.210 nan 0.000 0.531 305 S N 4.421 120.141 115.700 0.033 0.000 2.399 305 S HA 0.453 4.920 4.470 -0.005 0.000 0.301 305 S C 0.069 174.701 174.600 0.054 0.000 1.093 305 S CA -0.628 57.602 58.200 0.049 0.000 1.077 305 S CB -0.254 62.971 63.200 0.041 0.000 0.980 305 S HN 0.769 nan 8.310 nan 0.000 0.494 306 T N 2.766 117.354 114.554 0.057 0.000 2.937 306 T HA 0.579 4.926 4.350 -0.005 0.000 0.283 306 T C -2.179 172.553 174.700 0.052 0.000 1.012 306 T CA -1.830 60.305 62.100 0.057 0.000 0.997 306 T CB 0.897 69.799 68.868 0.056 0.000 1.136 306 T HN 0.254 nan 8.240 nan 0.000 0.551 307 P HA 0.180 nan 4.420 nan 0.000 0.234 307 P C 0.782 178.108 177.300 0.043 0.000 1.167 307 P CA 0.436 63.563 63.100 0.046 0.000 0.763 307 P CB 0.137 31.864 31.700 0.044 0.000 0.835 308 R N -0.617 119.904 120.500 0.034 0.000 2.552 308 R HA 0.432 4.769 4.340 -0.005 0.000 0.314 308 R C 0.780 177.076 176.300 -0.006 0.000 1.041 308 R CA 0.290 56.397 56.100 0.011 0.000 1.076 308 R CB 0.271 30.565 30.300 -0.010 0.000 1.290 308 R HN 0.167 nan 8.270 nan 0.000 0.563 309 G N 0.768 109.587 108.800 0.033 0.000 2.428 309 G HA2 -0.179 3.778 3.960 -0.005 0.000 0.202 309 G HA3 -0.179 3.778 3.960 -0.005 0.000 0.202 309 G C -1.512 173.436 174.900 0.080 0.000 1.247 309 G CA -0.827 44.305 45.100 0.053 0.000 1.020 309 G HN 0.185 nan 8.290 nan 0.000 0.529 310 D N 0.409 120.887 120.400 0.130 0.000 2.252 310 D HA 0.632 5.270 4.640 -0.005 0.000 0.245 310 D C 0.510 176.946 176.300 0.226 0.000 1.009 310 D CA 0.373 54.477 54.000 0.173 0.000 0.870 310 D CB 2.162 43.128 40.800 0.277 0.000 1.251 310 D HN 1.205 nan 8.370 nan 0.000 0.460 311 V N -1.704 118.297 119.914 0.144 0.000 3.167 311 V HA 0.730 4.847 4.120 -0.005 0.000 0.310 311 V C -0.462 175.680 176.094 0.080 0.000 1.207 311 V CA -0.774 61.624 62.300 0.164 0.000 1.059 311 V CB 1.729 33.537 31.823 -0.024 0.000 1.079 311 V HN 0.330 nan 8.190 nan 0.000 0.446 312 V N -0.064 119.946 119.914 0.161 0.000 0.000 312 V HA 0.678 4.795 4.120 -0.005 0.000 0.000 312 V C -1.420 174.633 176.094 -0.067 0.000 0.000 312 V CA -0.595 61.769 62.300 0.107 0.000 0.000 312 V CB 2.360 34.437 31.823 0.424 0.000 0.000 312 V HN 0.858 nan 8.190 nan 0.000 0.000 313 Y N 1.765 122.212 120.300 0.244 0.000 2.331 313 Y HA 0.512 5.059 4.550 -0.005 0.000 0.334 313 Y C -0.217 175.766 175.900 0.137 0.000 0.960 313 Y CA -1.032 57.167 58.100 0.166 0.000 1.130 313 Y CB 1.636 40.181 38.460 0.142 0.000 1.164 313 Y HN 0.347 nan 8.280 nan 0.000 0.458 314 L N 5.079 126.486 121.223 0.308 0.000 2.356 314 L HA 0.296 4.633 4.340 -0.005 0.000 0.282 314 L C -0.417 176.553 176.870 0.167 0.000 1.132 314 L CA -0.126 54.828 54.840 0.190 0.000 0.923 314 L CB -0.542 41.597 42.059 0.134 0.000 1.278 314 L HN 0.490 nan 8.230 nan 0.000 0.436 315 D N 3.678 124.177 120.400 0.164 0.000 2.277 315 D HA 0.238 4.875 4.640 -0.005 0.000 0.249 315 D C 0.239 176.614 176.300 0.125 0.000 1.134 315 D CA 0.073 54.142 54.000 0.115 0.000 0.863 315 D CB 0.888 41.752 40.800 0.106 0.000 1.143 315 D HN 0.539 nan 8.370 nan 0.000 0.458 316 L N 4.013 125.245 121.223 0.015 0.000 3.202 316 L HA 0.314 4.651 4.340 -0.005 0.000 0.278 316 L C 1.890 178.664 176.870 -0.161 0.000 1.268 316 L CA -0.340 54.420 54.840 -0.132 0.000 1.034 316 L CB 0.282 42.296 42.059 -0.076 0.000 1.407 316 L HN 0.242 nan 8.230 nan 0.000 0.581 317 R N 0.272 120.749 120.500 -0.039 0.000 2.092 317 R HA -0.103 4.234 4.340 -0.005 0.000 0.231 317 R C 1.917 178.210 176.300 -0.012 0.000 1.119 317 R CA 1.393 57.490 56.100 -0.004 0.000 0.970 317 R CB -0.216 30.110 30.300 0.044 0.000 0.864 317 R HN 0.565 nan 8.270 nan 0.000 0.440 318 H N -0.112 118.957 119.070 -0.002 0.000 2.556 318 H HA 0.149 4.702 4.556 -0.005 0.000 0.268 318 H C 0.562 175.891 175.328 0.001 0.000 0.996 318 H CA 0.073 56.120 56.048 -0.002 0.000 1.157 318 H CB -0.289 29.471 29.762 -0.003 0.000 1.355 318 H HN 0.087 nan 8.280 nan 0.000 0.597 319 L N 1.051 122.064 121.223 -0.350 0.000 2.456 319 L HA 0.380 4.718 4.340 -0.005 0.000 0.257 319 L C 0.929 177.743 176.870 -0.094 0.000 1.162 319 L CA -0.432 54.261 54.840 -0.245 0.000 0.808 319 L CB 1.126 43.029 42.059 -0.259 0.000 1.136 319 L HN 0.237 nan 8.230 nan 0.000 0.466 320 G N 0.102 108.867 108.800 -0.059 0.000 2.348 320 G HA2 0.265 4.222 3.960 -0.005 0.000 0.312 320 G HA3 0.265 4.222 3.960 -0.005 0.000 0.312 320 G C 0.285 175.162 174.900 -0.038 0.000 1.126 320 G CA -0.298 44.779 45.100 -0.038 0.000 0.865 320 G HN 0.714 nan 8.290 nan 0.000 0.474 321 E N 0.833 120.989 120.200 -0.074 0.000 2.110 321 E HA -0.085 4.262 4.350 -0.005 0.000 0.193 321 E C 2.366 178.880 176.600 -0.142 0.000 0.988 321 E CA 0.703 57.006 56.400 -0.162 0.000 0.804 321 E CB 0.176 29.723 29.700 -0.255 0.000 0.745 321 E HN 0.381 nan 8.360 nan 0.000 0.458 322 K N 0.871 121.227 120.400 -0.075 0.000 2.026 322 K HA -0.110 4.207 4.320 -0.005 0.000 0.208 322 K C 1.801 178.417 176.600 0.026 0.000 1.048 322 K CA 1.489 57.761 56.287 -0.026 0.000 0.929 322 K CB -0.098 32.394 32.500 -0.014 0.000 0.713 322 K HN 0.055 nan 8.250 nan 0.000 0.439 323 K N 0.222 120.637 120.400 0.025 0.000 2.116 323 K HA 0.022 4.339 4.320 -0.005 0.000 0.203 323 K C 2.308 178.954 176.600 0.076 0.000 1.052 323 K CA 0.583 56.898 56.287 0.047 0.000 0.952 323 K CB -0.097 32.419 32.500 0.026 0.000 0.729 323 K HN 0.024 nan 8.250 nan 0.000 0.446 324 L N 0.580 121.853 121.223 0.082 0.000 1.990 324 L HA -0.278 4.059 4.340 -0.005 0.000 0.213 324 L C 2.348 179.353 176.870 0.225 0.000 1.072 324 L CA 1.663 56.590 54.840 0.145 0.000 0.755 324 L CB -0.481 41.692 42.059 0.191 0.000 0.889 324 L HN 0.419 nan 8.230 nan 0.000 0.432 325 H N -1.838 117.244 119.070 0.021 0.000 2.512 325 H HA -0.081 4.472 4.556 -0.005 0.000 0.279 325 H C 1.927 177.278 175.328 0.037 0.000 0.999 325 H CA 0.485 56.550 56.048 0.027 0.000 1.283 325 H CB 0.537 30.310 29.762 0.018 0.000 1.421 325 H HN 0.426 nan 8.280 nan 0.000 0.554 326 E N 1.202 121.500 120.200 0.164 0.000 2.107 326 E HA -0.096 4.251 4.350 -0.005 0.000 0.191 326 E C 1.517 178.190 176.600 0.121 0.000 0.982 326 E CA 0.666 57.137 56.400 0.119 0.000 0.809 326 E CB 0.397 30.155 29.700 0.096 0.000 0.756 326 E HN 0.398 nan 8.360 nan 0.000 0.459 327 R N -0.643 119.928 120.500 0.119 0.000 2.549 327 R HA 0.177 4.514 4.340 -0.005 0.000 0.361 327 R C 0.739 177.109 176.300 0.118 0.000 0.969 327 R CA 0.036 56.212 56.100 0.127 0.000 1.158 327 R CB 0.334 30.709 30.300 0.125 0.000 1.456 327 R HN 0.099 nan 8.270 nan 0.000 0.540 328 L N 1.336 122.618 121.223 0.099 0.000 3.358 328 L HA 0.323 4.660 4.340 -0.005 0.000 0.301 328 L C -1.498 175.409 176.870 0.061 0.000 1.276 328 L CA -1.077 53.816 54.840 0.089 0.000 1.028 328 L CB 0.983 43.085 42.059 0.072 0.000 1.421 328 L HN -0.166 nan 8.230 nan 0.000 0.604 329 P HA -0.215 nan 4.420 nan 0.000 0.215 329 P C 1.649 178.995 177.300 0.078 0.000 1.153 329 P CA 1.305 64.386 63.100 -0.032 0.000 0.853 329 P CB 0.155 31.826 31.700 -0.048 0.000 0.788 330 F N 1.192 121.107 119.950 -0.059 0.000 2.043 330 F HA -0.181 4.343 4.527 -0.005 0.000 0.297 330 F C 2.373 178.161 175.800 -0.020 0.000 1.121 330 F CA 0.882 58.855 58.000 -0.046 0.000 1.199 330 F CB -1.415 37.565 39.000 -0.035 0.000 0.968 330 F HN -0.257 nan 8.300 nan 0.000 0.478 331 I N -0.853 119.761 120.570 0.074 0.000 2.300 331 I HA -0.434 3.733 4.170 -0.005 0.000 0.252 331 I C 2.567 178.669 176.117 -0.025 0.000 1.119 331 I CA 1.353 62.642 61.300 -0.018 0.000 1.384 331 I CB -0.917 37.103 38.000 0.033 0.000 1.062 331 I HN 0.202 nan 8.210 nan 0.000 0.426 332 C N 0.020 119.311 119.300 -0.015 0.000 2.476 332 C HA -0.125 4.332 4.460 -0.005 0.000 0.278 332 C C 2.790 177.751 174.990 -0.049 0.000 1.274 332 C CA 0.708 59.706 59.018 -0.033 0.000 1.713 332 C CB -0.894 26.806 27.740 -0.067 0.000 2.039 332 C HN 0.507 nan 8.230 nan 0.000 0.484 333 E N 0.563 120.730 120.200 -0.054 0.000 2.107 333 E HA -0.097 4.250 4.350 -0.005 0.000 0.191 333 E C 2.083 178.599 176.600 -0.140 0.000 0.982 333 E CA 0.581 56.932 56.400 -0.082 0.000 0.809 333 E CB -0.084 29.590 29.700 -0.043 0.000 0.756 333 E HN 0.563 nan 8.360 nan 0.000 0.459 334 L N 0.425 121.570 121.223 -0.129 0.000 1.997 334 L HA -0.278 4.059 4.340 -0.005 0.000 0.216 334 L C 2.614 179.505 176.870 0.035 0.000 1.074 334 L CA 1.567 56.377 54.840 -0.049 0.000 0.763 334 L CB -0.537 41.438 42.059 -0.141 0.000 0.890 334 L HN 0.228 nan 8.230 nan 0.000 0.434 335 A N -0.598 122.221 122.820 -0.002 0.000 1.930 335 A HA -0.191 4.126 4.320 -0.005 0.000 0.217 335 A C 2.306 179.883 177.584 -0.011 0.000 1.175 335 A CA 1.555 53.605 52.037 0.021 0.000 0.627 335 A CB -0.298 18.712 19.000 0.017 0.000 0.815 335 A HN 0.325 nan 8.150 nan 0.000 0.443 336 K N -0.345 120.020 120.400 -0.057 0.000 2.001 336 K HA -0.035 4.282 4.320 -0.005 0.000 0.208 336 K C 2.397 178.928 176.600 -0.115 0.000 1.048 336 K CA 1.200 57.444 56.287 -0.071 0.000 0.932 336 K CB -0.308 32.147 32.500 -0.074 0.000 0.715 336 K HN 0.415 nan 8.250 nan 0.000 0.437 337 A N 0.469 123.146 122.820 -0.238 0.000 1.855 337 A HA -0.137 4.180 4.320 -0.005 0.000 0.215 337 A C 2.016 179.431 177.584 -0.282 0.000 1.191 337 A CA 1.248 53.068 52.037 -0.362 0.000 0.613 337 A CB -0.810 17.783 19.000 -0.678 0.000 0.829 337 A HN 0.302 nan 8.150 nan 0.000 0.442 338 Y N -0.362 119.921 120.300 -0.028 0.000 2.176 338 Y HA -0.037 4.510 4.550 -0.005 0.000 0.291 338 Y C 2.277 178.172 175.900 -0.009 0.000 1.122 338 Y CA 1.254 59.340 58.100 -0.023 0.000 1.128 338 Y CB 0.018 38.453 38.460 -0.042 0.000 1.005 338 Y HN 0.199 nan 8.280 nan 0.000 0.509 339 V N -2.747 117.255 119.914 0.146 0.000 3.542 339 V HA 0.489 4.606 4.120 -0.005 0.000 0.296 339 V C 1.213 177.345 176.094 0.063 0.000 1.364 339 V CA 0.143 62.501 62.300 0.096 0.000 1.118 339 V CB -0.307 31.572 31.823 0.094 0.000 0.972 339 V HN 0.503 nan 8.190 nan 0.000 0.430 340 G N 0.564 109.385 108.800 0.036 0.000 2.305 340 G HA2 -0.192 3.765 3.960 -0.005 0.000 0.287 340 G HA3 -0.192 3.765 3.960 -0.005 0.000 0.287 340 G C -0.078 174.833 174.900 0.018 0.000 1.036 340 G CA 0.492 45.601 45.100 0.015 0.000 0.887 340 G HN 0.818 nan 8.290 nan 0.000 0.505 341 V N -0.005 119.919 119.914 0.017 0.000 2.555 341 V HA 0.544 4.661 4.120 -0.005 0.000 0.302 341 V C -0.393 175.703 176.094 0.003 0.000 1.038 341 V CA -0.963 61.347 62.300 0.017 0.000 0.887 341 V CB 2.068 33.912 31.823 0.036 0.000 0.991 341 V HN 0.290 nan 8.190 nan 0.000 0.434 342 D N 5.410 125.809 120.400 -0.001 0.000 2.373 342 D HA 0.380 5.017 4.640 -0.005 0.000 0.227 342 D C -1.765 174.534 176.300 -0.001 0.000 1.091 342 D CA -1.980 52.020 54.000 -0.001 0.000 0.840 342 D CB 2.468 43.269 40.800 0.001 0.000 1.060 342 D HN 0.167 nan 8.370 nan 0.000 0.502 343 P HA -0.189 nan 4.420 nan 0.000 0.216 343 P C 1.549 178.846 177.300 -0.006 0.000 1.154 343 P CA 1.079 64.179 63.100 0.001 0.000 0.865 343 P CB 0.204 31.910 31.700 0.010 0.000 0.789 344 V N -1.893 118.026 119.914 0.008 0.000 2.427 344 V HA -0.154 3.963 4.120 -0.005 0.000 0.248 344 V C 2.324 178.416 176.094 -0.003 0.000 1.051 344 V CA 1.806 64.108 62.300 0.003 0.000 1.048 344 V CB -1.381 30.452 31.823 0.017 0.000 0.666 344 V HN 0.034 nan 8.190 nan 0.000 0.456 345 K N 0.051 120.449 120.400 -0.004 0.000 2.067 345 K HA 0.114 4.431 4.320 -0.005 0.000 0.203 345 K C 0.917 177.503 176.600 -0.023 0.000 1.048 345 K CA 0.913 57.194 56.287 -0.009 0.000 0.954 345 K CB 0.282 32.779 32.500 -0.005 0.000 0.737 345 K HN 0.676 nan 8.250 nan 0.000 0.444 346 E N -0.453 119.725 120.200 -0.035 0.000 2.433 346 E HA 0.326 4.673 4.350 -0.005 0.000 0.273 346 E C -2.787 173.751 176.600 -0.104 0.000 0.950 346 E CA -2.624 53.730 56.400 -0.076 0.000 0.796 346 E CB 2.540 32.195 29.700 -0.075 0.000 1.330 346 E HN -0.002 nan 8.360 nan 0.000 0.455 347 P HA 0.245 nan 4.420 nan 0.000 0.276 347 P C -0.646 176.590 177.300 -0.106 0.000 1.244 347 P CA -0.117 62.839 63.100 -0.241 0.000 0.801 347 P CB 0.732 32.074 31.700 -0.597 0.000 1.006 348 I N 3.425 124.045 120.570 0.083 0.000 2.312 348 I HA 0.206 4.373 4.170 -0.005 0.000 0.291 348 I C -1.890 174.451 176.117 0.373 0.000 1.031 348 I CA -2.593 58.814 61.300 0.179 0.000 1.293 348 I CB 0.999 39.067 38.000 0.113 0.000 1.403 348 I HN 0.106 nan 8.210 nan 0.000 0.484 349 P HA 0.101 nan 4.420 nan 0.000 0.271 349 P C -0.677 176.693 177.300 0.116 0.000 1.233 349 P CA 0.103 63.360 63.100 0.261 0.000 0.764 349 P CB 0.878 32.701 31.700 0.205 0.000 0.825 350 V N 1.771 121.728 119.914 0.072 0.000 3.130 350 V HA 0.909 5.026 4.120 -0.005 0.000 0.310 350 V C -0.482 175.570 176.094 -0.071 0.000 1.158 350 V CA -1.193 61.115 62.300 0.013 0.000 1.029 350 V CB 2.537 34.388 31.823 0.046 0.000 1.057 350 V HN 0.755 nan 8.190 nan 0.000 0.436 351 R N 0.287 120.654 120.500 -0.223 0.000 2.712 351 R HA 0.683 5.020 4.340 -0.005 0.000 0.272 351 R C -3.420 172.601 176.300 -0.466 0.000 1.032 351 R CA -1.643 54.097 56.100 -0.599 0.000 0.874 351 R CB 1.227 31.118 30.300 -0.683 0.000 1.256 351 R HN 0.476 nan 8.270 nan 0.000 0.468 352 P HA 0.253 nan 4.420 nan 0.000 0.277 352 P C -0.927 176.313 177.300 -0.099 0.000 1.240 352 P CA -0.184 62.742 63.100 -0.290 0.000 0.798 352 P CB 1.140 32.613 31.700 -0.378 0.000 0.979 353 T N -2.027 112.528 114.554 0.001 0.000 2.896 353 T HA 0.698 5.045 4.350 -0.005 0.000 0.297 353 T C -0.577 173.793 174.700 -0.550 0.000 1.108 353 T CA -1.031 60.990 62.100 -0.131 0.000 1.004 353 T CB 1.339 70.146 68.868 -0.103 0.000 1.159 353 T HN 0.339 nan 8.240 nan 0.000 0.499 354 A N 1.126 123.459 122.820 -0.811 0.000 2.484 354 A HA 0.418 4.735 4.320 -0.005 0.000 0.268 354 A C 0.438 177.752 177.584 -0.451 0.000 1.114 354 A CA 0.290 51.665 52.037 -1.103 0.000 0.780 354 A CB -0.533 17.841 19.000 -1.043 0.000 1.061 354 A HN 1.070 nan 8.150 nan 0.000 0.505 355 H N 2.005 120.792 119.070 -0.472 0.000 2.451 355 H HA 0.327 4.880 4.556 -0.005 0.000 0.240 355 H C -0.744 174.538 175.328 -0.076 0.000 1.071 355 H CA 0.800 56.741 56.048 -0.179 0.000 1.477 355 H CB 0.031 29.764 29.762 -0.047 0.000 1.376 355 H HN 0.628 nan 8.280 nan 0.000 0.549 356 Y N 1.067 121.215 120.300 -0.253 0.000 2.360 356 Y HA 0.376 4.923 4.550 -0.005 0.000 0.337 356 Y C -0.600 175.205 175.900 -0.158 0.000 1.039 356 Y CA -0.799 57.136 58.100 -0.274 0.000 1.109 356 Y CB 1.583 39.906 38.460 -0.228 0.000 1.201 356 Y HN 0.140 nan 8.280 nan 0.000 0.458 357 T N 7.715 121.797 114.554 -0.788 0.000 2.891 357 T HA 0.169 4.516 4.350 -0.005 0.000 0.315 357 T C 1.147 175.560 174.700 -0.479 0.000 1.054 357 T CA -0.276 61.536 62.100 -0.480 0.000 0.958 357 T CB 0.081 68.718 68.868 -0.384 0.000 1.008 357 T HN 0.768 nan 8.240 nan 0.000 0.521 358 M N 1.473 121.067 119.600 -0.010 0.000 2.476 358 M HA 0.113 4.590 4.480 -0.005 0.000 0.262 358 M C 1.625 178.042 176.300 0.194 0.000 1.079 358 M CA 0.462 55.890 55.300 0.212 0.000 1.104 358 M CB 0.043 32.811 32.600 0.279 0.000 1.409 358 M HN 0.627 nan 8.290 nan 0.000 0.467 359 G N -0.553 108.309 108.800 0.102 0.000 2.522 359 G HA2 0.618 4.575 3.960 -0.005 0.000 0.304 359 G HA3 0.618 4.575 3.960 -0.005 0.000 0.304 359 G C -0.185 174.699 174.900 -0.025 0.000 1.210 359 G CA -0.024 45.114 45.100 0.062 0.000 0.960 359 G HN 0.397 nan 8.290 nan 0.000 0.497 360 G N -1.497 107.276 108.800 -0.045 0.000 2.393 360 G HA2 0.341 4.298 3.960 -0.005 0.000 0.264 360 G HA3 0.341 4.298 3.960 -0.005 0.000 0.264 360 G C -1.077 173.769 174.900 -0.091 0.000 1.221 360 G CA -0.919 44.138 45.100 -0.073 0.000 0.912 360 G HN 0.698 nan 8.290 nan 0.000 0.483 361 I N 1.948 122.466 120.570 -0.087 0.000 2.452 361 I HA 0.168 4.335 4.170 -0.005 0.000 0.287 361 I C 0.797 176.847 176.117 -0.112 0.000 1.079 361 I CA -0.008 61.232 61.300 -0.100 0.000 1.387 361 I CB 1.271 39.227 38.000 -0.073 0.000 1.404 361 I HN 0.461 nan 8.210 nan 0.000 0.522 362 E N 7.060 127.176 120.200 -0.141 0.000 2.292 362 E HA 0.068 4.415 4.350 -0.005 0.000 0.265 362 E C -0.732 175.794 176.600 -0.123 0.000 1.093 362 E CA -0.060 56.255 56.400 -0.141 0.000 0.922 362 E CB 0.519 30.124 29.700 -0.159 0.000 1.001 362 E HN 0.684 nan 8.360 nan 0.000 0.444 363 T N 1.568 116.049 114.554 -0.122 0.000 2.916 363 T HA 0.264 4.611 4.350 -0.005 0.000 0.292 363 T C 0.027 174.665 174.700 -0.103 0.000 1.055 363 T CA -1.115 60.918 62.100 -0.111 0.000 1.009 363 T CB 1.572 70.385 68.868 -0.092 0.000 1.118 363 T HN 0.472 nan 8.240 nan 0.000 0.497 364 D N 1.240 121.588 120.400 -0.087 0.000 2.289 364 D HA 0.052 4.689 4.640 -0.005 0.000 0.266 364 D C 1.091 177.368 176.300 -0.038 0.000 1.243 364 D CA -0.216 53.746 54.000 -0.062 0.000 1.019 364 D CB 0.099 40.862 40.800 -0.061 0.000 1.126 364 D HN 0.494 nan 8.370 nan 0.000 0.541 365 Q N -1.275 118.515 119.800 -0.017 0.000 2.291 365 Q HA 0.076 4.413 4.340 -0.005 0.000 0.205 365 Q C 0.004 176.029 176.000 0.041 0.000 0.970 365 Q CA 0.970 56.781 55.803 0.013 0.000 0.876 365 Q CB -0.081 28.654 28.738 -0.007 0.000 0.935 365 Q HN 0.315 nan 8.270 nan 0.000 0.455 366 N N -1.003 117.714 118.700 0.028 0.000 2.642 366 N HA 0.154 4.891 4.740 -0.005 0.000 0.308 366 N C -0.968 174.633 175.510 0.152 0.000 1.914 366 N CA -0.129 52.966 53.050 0.075 0.000 0.893 366 N CB 0.677 39.175 38.487 0.018 0.000 1.322 366 N HN 0.117 nan 8.380 nan 0.000 0.490 367 C N -0.150 119.228 119.300 0.130 0.000 4.205 367 C HA -0.205 4.252 4.460 -0.005 0.000 0.289 367 C C 0.982 175.997 174.990 0.042 0.000 1.477 367 C CA 0.561 59.675 59.018 0.161 0.000 2.008 367 C CB -2.346 25.579 27.740 0.308 0.000 1.303 367 C HN 0.585 nan 8.230 nan 0.000 0.796 368 E N 0.681 120.756 120.200 -0.209 0.000 2.216 368 E HA 0.451 4.799 4.350 -0.005 0.000 0.279 368 E C 0.572 176.964 176.600 -0.347 0.000 0.997 368 E CA -0.137 55.895 56.400 -0.613 0.000 0.817 368 E CB 1.054 30.367 29.700 -0.645 0.000 1.096 368 E HN 0.514 nan 8.360 nan 0.000 0.393 369 T N 3.014 117.354 114.554 -0.357 0.000 2.849 369 T HA 0.231 4.578 4.350 -0.005 0.000 0.276 369 T C 1.290 175.876 174.700 -0.191 0.000 0.971 369 T CA -0.753 61.218 62.100 -0.215 0.000 0.949 369 T CB 0.715 69.480 68.868 -0.173 0.000 1.093 369 T HN 0.488 nan 8.240 nan 0.000 0.545 370 R N -0.262 120.167 120.500 -0.118 0.000 2.152 370 R HA 0.024 4.361 4.340 -0.005 0.000 0.232 370 R C 0.470 176.712 176.300 -0.097 0.000 1.117 370 R CA 0.877 56.931 56.100 -0.078 0.000 0.981 370 R CB -0.567 29.726 30.300 -0.012 0.000 0.870 370 R HN 0.547 nan 8.270 nan 0.000 0.451 371 I N 2.439 122.933 120.570 -0.126 0.000 2.379 371 I HA 0.033 4.200 4.170 -0.005 0.000 0.290 371 I C 0.331 176.281 176.117 -0.278 0.000 1.063 371 I CA -0.407 60.795 61.300 -0.162 0.000 1.351 371 I CB 0.651 38.563 38.000 -0.147 0.000 1.410 371 I HN -0.196 nan 8.210 nan 0.000 0.505 372 K N 4.681 124.897 120.400 -0.306 0.000 2.451 372 K HA 0.256 4.573 4.320 -0.005 0.000 0.280 372 K C 1.021 177.114 176.600 -0.844 0.000 1.020 372 K CA 1.188 57.226 56.287 -0.415 0.000 1.008 372 K CB 0.373 32.776 32.500 -0.162 0.000 0.917 372 K HN 0.812 nan 8.250 nan 0.000 0.478 373 G N 2.655 111.143 108.800 -0.520 0.000 2.225 373 G HA2 -0.282 3.675 3.960 -0.005 0.000 0.254 373 G HA3 -0.282 3.675 3.960 -0.005 0.000 0.254 373 G C -0.390 174.437 174.900 -0.122 0.000 0.988 373 G CA 0.218 45.172 45.100 -0.244 0.000 0.625 373 G HN 0.522 nan 8.290 nan 0.000 0.527 374 L N 1.231 122.255 121.223 -0.333 0.000 2.276 374 L HA 0.813 5.150 4.340 -0.005 0.000 0.286 374 L C -0.345 176.318 176.870 -0.344 0.000 1.061 374 L CA -0.763 53.965 54.840 -0.188 0.000 0.807 374 L CB 0.343 42.297 42.059 -0.176 0.000 1.177 374 L HN 0.045 nan 8.230 nan 0.000 0.429 375 F N 3.539 123.453 119.950 -0.060 0.000 2.575 375 F HA 0.857 5.381 4.527 -0.006 0.000 0.330 375 F C 0.155 175.935 175.800 -0.034 0.000 1.056 375 F CA -0.472 57.504 58.000 -0.040 0.000 0.964 375 F CB 2.005 40.992 39.000 -0.022 0.000 1.258 375 F HN 0.534 nan 8.300 nan 0.000 0.484 376 A N 1.182 124.095 122.820 0.155 0.000 2.488 376 A HA 0.828 5.145 4.320 -0.005 0.000 0.295 376 A C -1.505 176.126 177.584 0.079 0.000 1.045 376 A CA -0.642 51.441 52.037 0.076 0.000 0.703 376 A CB 1.110 20.113 19.000 0.005 0.000 1.271 376 A HN 0.817 nan 8.150 nan 0.000 0.400 377 V N -0.453 119.503 119.914 0.071 0.000 3.156 377 V HA 1.015 5.133 4.120 -0.005 0.000 0.310 377 V C 0.952 177.083 176.094 0.062 0.000 1.234 377 V CA -0.192 62.154 62.300 0.077 0.000 1.065 377 V CB 0.537 32.436 31.823 0.128 0.000 1.088 377 V HN 2.818 nan 8.190 nan 0.000 0.451 378 G N 0.123 108.977 108.800 0.091 0.000 2.552 378 G HA2 -0.281 3.676 3.960 -0.005 0.000 0.265 378 G HA3 -0.281 3.676 3.960 -0.005 0.000 0.265 378 G C 0.606 175.567 174.900 0.102 0.000 1.234 378 G CA 0.948 46.115 45.100 0.111 0.000 0.944 378 G HN 1.275 nan 8.290 nan 0.000 0.568 379 E N -0.955 119.289 120.200 0.074 0.000 2.427 379 E HA 0.034 4.381 4.350 -0.005 0.000 0.196 379 E C 2.433 178.972 176.600 -0.102 0.000 1.028 379 E CA 0.915 57.292 56.400 -0.038 0.000 0.864 379 E CB -0.255 29.340 29.700 -0.176 0.000 0.813 379 E HN 0.530 nan 8.360 nan 0.000 0.514 380 C N 0.890 120.159 119.300 -0.051 0.000 2.446 380 C HA 0.043 4.500 4.460 -0.005 0.000 0.279 380 C C 1.498 176.459 174.990 -0.047 0.000 1.366 380 C CA 0.727 59.712 59.018 -0.055 0.000 1.763 380 C CB -0.803 26.918 27.740 -0.032 0.000 1.929 380 C HN 0.456 nan 8.230 nan 0.000 0.509 381 S N 0.377 116.060 115.700 -0.028 0.000 2.654 381 S HA 0.600 5.067 4.470 -0.005 0.000 0.283 381 S C -0.368 174.205 174.600 -0.046 0.000 1.180 381 S CA 0.005 58.180 58.200 -0.042 0.000 1.021 381 S CB 1.432 64.607 63.200 -0.042 0.000 1.018 381 S HN 0.629 nan 8.310 nan 0.000 0.532 382 S N 0.977 116.630 115.700 -0.079 0.000 2.653 382 S HA 0.427 4.895 4.470 -0.005 0.000 0.272 382 S C 0.209 174.709 174.600 -0.167 0.000 1.221 382 S CA -0.786 57.362 58.200 -0.086 0.000 1.149 382 S CB 0.619 63.781 63.200 -0.064 0.000 1.029 382 S HN 0.641 nan 8.310 nan 0.000 0.481 383 V N 1.334 121.095 119.914 -0.255 0.000 3.506 383 V HA 0.411 4.528 4.120 -0.005 0.000 0.263 383 V C 1.711 177.630 176.094 -0.291 0.000 1.203 383 V CA 0.319 62.425 62.300 -0.324 0.000 1.133 383 V CB -0.936 30.531 31.823 -0.594 0.000 0.802 383 V HN 1.328 nan 8.190 nan 0.000 0.459 384 G N 1.008 109.646 108.800 -0.269 0.000 2.203 384 G HA2 -0.218 3.739 3.960 -0.005 0.000 0.231 384 G HA3 -0.218 3.739 3.960 -0.005 0.000 0.231 384 G C 0.349 175.118 174.900 -0.217 0.000 1.058 384 G CA 0.400 45.386 45.100 -0.190 0.000 0.781 384 G HN 0.368 nan 8.290 nan 0.000 0.496 385 L N -0.635 120.328 121.223 -0.432 0.000 2.202 385 L HA 0.341 4.678 4.340 -0.005 0.000 0.205 385 L C 2.316 178.922 176.870 -0.440 0.000 1.083 385 L CA 2.102 56.620 54.840 -0.536 0.000 0.790 385 L CB -0.355 41.139 42.059 -0.941 0.000 0.942 385 L HN 0.380 nan 8.230 nan 0.000 0.452 386 H N -0.507 118.476 119.070 -0.146 0.000 2.399 386 H HA 0.359 4.912 4.556 -0.005 0.000 0.300 386 H C 1.537 176.793 175.328 -0.120 0.000 1.048 386 H CA 0.777 56.755 56.048 -0.117 0.000 1.370 386 H CB -0.252 29.473 29.762 -0.062 0.000 1.428 386 H HN 0.408 nan 8.280 nan 0.000 0.534 387 G N 0.582 109.381 108.800 -0.002 0.000 2.554 387 G HA2 -0.298 3.659 3.960 -0.005 0.000 0.253 387 G HA3 -0.298 3.659 3.960 -0.005 0.000 0.253 387 G C 1.162 175.864 174.900 -0.329 0.000 1.172 387 G CA 1.108 46.148 45.100 -0.099 0.000 0.950 387 G HN 0.633 nan 8.290 nan 0.000 0.557 388 A N -0.379 122.130 122.820 -0.519 0.000 2.095 388 A HA 0.524 4.842 4.320 -0.005 0.000 0.212 388 A C 0.944 178.311 177.584 -0.362 0.000 1.162 388 A CA 1.811 53.238 52.037 -1.017 0.000 0.753 388 A CB 0.042 18.563 19.000 -0.799 0.000 0.840 388 A HN 0.981 nan 8.150 nan 0.000 0.468 389 N N -0.251 118.355 118.700 -0.157 0.000 2.480 389 N HA 0.233 4.970 4.740 -0.005 0.000 0.289 389 N C -1.023 174.482 175.510 -0.009 0.000 1.073 389 N CA -0.412 52.618 53.050 -0.033 0.000 0.885 389 N CB 1.308 39.785 38.487 -0.016 0.000 1.421 389 N HN 0.287 nan 8.380 nan 0.000 0.503 390 R N 3.261 123.760 120.500 -0.001 0.000 2.351 390 R HA 0.175 4.512 4.340 -0.005 0.000 0.318 390 R C -0.298 175.989 176.300 -0.022 0.000 1.055 390 R CA -0.441 55.624 56.100 -0.058 0.000 0.968 390 R CB 0.238 30.323 30.300 -0.358 0.000 0.974 390 R HN 0.447 nan 8.270 nan 0.000 0.439 391 L N 3.807 125.048 121.223 0.031 0.000 2.461 391 L HA 0.207 4.544 4.340 -0.005 0.000 0.272 391 L C 0.547 177.467 176.870 0.083 0.000 1.197 391 L CA 0.832 55.714 54.840 0.068 0.000 0.836 391 L CB 0.974 43.097 42.059 0.107 0.000 1.105 391 L HN 0.771 nan 8.230 nan 0.000 0.477 392 G N 1.854 110.728 108.800 0.124 0.000 2.432 392 G HA2 0.411 4.368 3.960 -0.005 0.000 0.257 392 G HA3 0.411 4.368 3.960 -0.005 0.000 0.257 392 G C 0.425 175.425 174.900 0.166 0.000 1.238 392 G CA 0.313 45.507 45.100 0.158 0.000 0.838 392 G HN 1.634 nan 8.290 nan 0.000 0.547 393 S N 0.516 116.271 115.700 0.093 0.000 3.482 393 S HA -0.226 4.241 4.470 -0.005 0.000 0.294 393 S C 0.888 175.592 174.600 0.173 0.000 1.244 393 S CA 1.109 59.362 58.200 0.089 0.000 0.911 393 S CB -1.867 61.397 63.200 0.107 0.000 1.070 393 S HN 0.629 nan 8.310 nan 0.000 0.614 394 N N 0.832 119.634 118.700 0.170 0.000 2.407 394 N HA 0.269 5.006 4.740 -0.005 0.000 0.182 394 N C 1.552 177.191 175.510 0.214 0.000 1.079 394 N CA 0.863 54.079 53.050 0.278 0.000 0.882 394 N CB 0.100 38.752 38.487 0.276 0.000 1.106 394 N HN 0.518 nan 8.380 nan 0.000 0.461 395 S N 0.207 115.925 115.700 0.030 0.000 2.423 395 S HA 0.092 4.559 4.470 -0.005 0.000 0.231 395 S C 1.689 176.368 174.600 0.131 0.000 1.014 395 S CA 0.735 58.918 58.200 -0.028 0.000 0.965 395 S CB -0.044 62.911 63.200 -0.408 0.000 0.785 395 S HN 0.199 nan 8.310 nan 0.000 0.495 396 L N 0.778 122.093 121.223 0.153 0.000 2.102 396 L HA 0.173 4.510 4.340 -0.005 0.000 0.202 396 L C 2.980 179.993 176.870 0.239 0.000 1.076 396 L CA 0.957 55.909 54.840 0.187 0.000 0.761 396 L CB -0.789 41.372 42.059 0.170 0.000 0.921 396 L HN 0.345 nan 8.230 nan 0.000 0.444 397 A N 0.310 123.300 122.820 0.283 0.000 2.084 397 A HA -0.284 4.033 4.320 -0.005 0.000 0.221 397 A C 2.202 180.131 177.584 0.575 0.000 1.161 397 A CA 2.054 54.280 52.037 0.316 0.000 0.653 397 A CB -0.590 18.596 19.000 0.309 0.000 0.802 397 A HN 0.580 nan 8.150 nan 0.000 0.457 398 E N 0.285 120.834 120.200 0.582 0.000 2.031 398 E HA -0.184 4.163 4.350 -0.005 0.000 0.193 398 E C 1.801 178.662 176.600 0.435 0.000 0.994 398 E CA 1.323 58.033 56.400 0.517 0.000 0.800 398 E CB -0.411 29.398 29.700 0.182 0.000 0.752 398 E HN 0.590 nan 8.360 nan 0.000 0.447 399 L N 1.113 122.515 121.223 0.298 0.000 2.129 399 L HA -0.200 4.137 4.340 -0.005 0.000 0.212 399 L C 2.702 179.697 176.870 0.209 0.000 1.087 399 L CA 1.411 56.391 54.840 0.234 0.000 0.757 399 L CB -0.751 41.424 42.059 0.192 0.000 0.896 399 L HN 0.287 nan 8.230 nan 0.000 0.434 400 V N -4.879 115.151 119.914 0.194 0.000 2.500 400 V HA -0.037 4.080 4.120 -0.005 0.000 0.243 400 V C 2.199 178.339 176.094 0.076 0.000 1.039 400 V CA 0.841 63.208 62.300 0.111 0.000 1.053 400 V CB -0.385 31.461 31.823 0.039 0.000 0.695 400 V HN 0.129 nan 8.190 nan 0.000 0.463 401 V N -0.249 119.728 119.914 0.105 0.000 2.323 401 V HA -0.056 4.061 4.120 -0.005 0.000 0.244 401 V C 2.376 178.409 176.094 -0.102 0.000 1.041 401 V CA 2.213 64.482 62.300 -0.051 0.000 1.025 401 V CB -0.826 30.933 31.823 -0.105 0.000 0.656 401 V HN 0.485 nan 8.190 nan 0.000 0.451 402 F N 0.889 120.961 119.950 0.204 0.000 2.743 402 F HA 0.234 4.758 4.527 -0.005 0.000 0.297 402 F C 2.236 178.100 175.800 0.108 0.000 1.131 402 F CA 0.829 58.923 58.000 0.155 0.000 1.426 402 F CB -0.483 38.585 39.000 0.113 0.000 1.116 402 F HN 0.183 nan 8.300 nan 0.000 0.583 403 G N -0.102 108.836 108.800 0.229 0.000 2.430 403 G HA2 -0.179 3.778 3.960 -0.005 0.000 0.216 403 G HA3 -0.179 3.778 3.960 -0.005 0.000 0.216 403 G C 1.712 176.665 174.900 0.088 0.000 1.146 403 G CA 0.237 45.425 45.100 0.147 0.000 0.793 403 G HN 0.226 nan 8.290 nan 0.000 0.537 404 R N -0.512 120.032 120.500 0.074 0.000 2.091 404 R HA 0.006 4.343 4.340 -0.005 0.000 0.238 404 R C 1.978 178.288 176.300 0.017 0.000 1.136 404 R CA 1.245 57.369 56.100 0.039 0.000 0.959 404 R CB -0.195 30.120 30.300 0.025 0.000 0.856 404 R HN 0.344 nan 8.270 nan 0.000 0.437 405 L N -0.367 120.873 121.223 0.028 0.000 2.463 405 L HA 0.261 4.598 4.340 -0.005 0.000 0.219 405 L C 2.097 178.962 176.870 -0.008 0.000 1.088 405 L CA 0.921 55.761 54.840 0.001 0.000 0.849 405 L CB -0.029 42.020 42.059 -0.016 0.000 1.012 405 L HN 0.171 nan 8.230 nan 0.000 0.468 406 A N -0.318 122.526 122.820 0.041 0.000 2.225 406 A HA 0.054 4.371 4.320 -0.005 0.000 0.215 406 A C 2.136 179.574 177.584 -0.242 0.000 1.164 406 A CA 1.539 53.574 52.037 -0.003 0.000 0.710 406 A CB -0.792 18.269 19.000 0.102 0.000 0.780 406 A HN 0.418 nan 8.150 nan 0.000 0.473 407 G N -1.387 107.305 108.800 -0.181 0.000 2.768 407 G HA2 0.069 4.026 3.960 -0.005 0.000 0.201 407 G HA3 0.069 4.026 3.960 -0.005 0.000 0.201 407 G C 1.274 176.050 174.900 -0.207 0.000 1.089 407 G CA 0.573 45.542 45.100 -0.218 0.000 0.787 407 G HN 0.489 nan 8.290 nan 0.000 0.547 408 E N 0.485 120.606 120.200 -0.132 0.000 2.038 408 E HA -0.158 4.189 4.350 -0.005 0.000 0.195 408 E C 2.481 179.020 176.600 -0.101 0.000 1.000 408 E CA 1.192 57.537 56.400 -0.093 0.000 0.803 408 E CB 0.089 29.758 29.700 -0.053 0.000 0.750 408 E HN 0.280 nan 8.360 nan 0.000 0.448 409 Q N -0.586 119.149 119.800 -0.108 0.000 2.389 409 Q HA 0.080 4.417 4.340 -0.005 0.000 0.204 409 Q C 1.849 177.781 176.000 -0.113 0.000 0.944 409 Q CA 0.806 56.590 55.803 -0.031 0.000 0.908 409 Q CB 0.053 28.849 28.738 0.096 0.000 1.002 409 Q HN 0.201 nan 8.270 nan 0.000 0.493 410 A N 0.890 123.369 122.820 -0.569 0.000 1.969 410 A HA -0.098 4.219 4.320 -0.005 0.000 0.218 410 A C 2.156 179.570 177.584 -0.283 0.000 1.169 410 A CA 1.685 53.160 52.037 -0.937 0.000 0.635 410 A CB -0.525 17.720 19.000 -1.258 0.000 0.810 410 A HN 0.347 nan 8.150 nan 0.000 0.445 411 T N -0.028 114.415 114.554 -0.185 0.000 2.857 411 T HA -0.073 4.274 4.350 -0.005 0.000 0.266 411 T C 1.602 176.289 174.700 -0.022 0.000 1.048 411 T CA 1.486 63.537 62.100 -0.081 0.000 1.139 411 T CB -0.179 68.646 68.868 -0.072 0.000 0.874 411 T HN 0.659 nan 8.240 nan 0.000 0.455 412 E N 0.502 120.696 120.200 -0.009 0.000 2.347 412 E HA 0.033 4.380 4.350 -0.005 0.000 0.196 412 E C 1.890 178.530 176.600 0.067 0.000 1.008 412 E CA 0.443 56.858 56.400 0.025 0.000 0.852 412 E CB 0.079 29.793 29.700 0.023 0.000 0.783 412 E HN 0.078 nan 8.360 nan 0.000 0.505 413 R N -0.579 119.989 120.500 0.114 0.000 2.427 413 R HA 0.219 4.556 4.340 -0.005 0.000 0.262 413 R C 0.726 177.140 176.300 0.191 0.000 0.943 413 R CA 0.325 56.539 56.100 0.190 0.000 1.081 413 R CB 0.505 31.009 30.300 0.340 0.000 1.166 413 R HN 0.091 nan 8.270 nan 0.000 0.534 414 A N -1.448 121.440 122.820 0.112 0.000 2.226 414 A HA 0.410 4.727 4.320 -0.005 0.000 0.207 414 A C 1.718 179.329 177.584 0.045 0.000 1.293 414 A CA 0.466 52.557 52.037 0.090 0.000 0.968 414 A CB 0.158 19.197 19.000 0.065 0.000 1.044 414 A HN 0.247 nan 8.150 nan 0.000 0.493 415 A N 0.313 123.154 122.820 0.035 0.000 1.898 415 A HA 0.091 4.408 4.320 -0.005 0.000 0.214 415 A C 1.698 179.290 177.584 0.014 0.000 1.183 415 A CA 1.914 53.962 52.037 0.018 0.000 0.622 415 A CB -0.773 18.235 19.000 0.013 0.000 0.824 415 A HN 0.654 nan 8.150 nan 0.000 0.444 416 T N -2.859 111.708 114.554 0.021 0.000 3.221 416 T HA 0.644 4.991 4.350 -0.005 0.000 0.246 416 T C 0.727 175.431 174.700 0.007 0.000 0.952 416 T CA 0.272 62.380 62.100 0.012 0.000 0.994 416 T CB 0.737 69.615 68.868 0.016 0.000 1.127 416 T HN 0.373 nan 8.240 nan 0.000 0.549 417 A N 0.811 123.626 122.820 -0.008 0.000 1.997 417 A HA 0.713 5.030 4.320 -0.005 0.000 0.212 417 A C 1.705 179.217 177.584 -0.121 0.000 1.178 417 A CA 0.625 52.629 52.037 -0.056 0.000 0.698 417 A CB -0.665 18.311 19.000 -0.040 0.000 0.842 417 A HN 1.344 nan 8.150 nan 0.000 0.458 418 G N -0.625 108.129 108.800 -0.077 0.000 2.488 418 G HA2 -0.143 3.814 3.960 -0.005 0.000 0.237 418 G HA3 -0.143 3.814 3.960 -0.005 0.000 0.237 418 G C -0.499 174.351 174.900 -0.083 0.000 1.209 418 G CA 0.065 45.120 45.100 -0.076 0.000 0.929 418 G HN 0.736 nan 8.290 nan 0.000 0.578 419 N N -0.286 118.363 118.700 -0.085 0.000 2.405 419 N HA 0.716 5.453 4.740 -0.005 0.000 0.285 419 N C 0.191 175.655 175.510 -0.076 0.000 1.262 419 N CA 0.449 53.457 53.050 -0.069 0.000 0.773 419 N CB 1.883 40.344 38.487 -0.043 0.000 1.490 419 N HN 1.164 nan 8.380 nan 0.000 0.486 420 G N -0.385 108.382 108.800 -0.055 0.000 2.537 420 G HA2 0.220 4.177 3.960 -0.005 0.000 0.308 420 G HA3 0.220 4.177 3.960 -0.005 0.000 0.308 420 G C -0.871 174.015 174.900 -0.023 0.000 1.237 420 G CA -0.464 44.612 45.100 -0.041 0.000 0.968 420 G HN 0.511 nan 8.290 nan 0.000 0.481 421 N N 0.353 119.044 118.700 -0.015 0.000 2.406 421 N HA -0.001 4.736 4.740 -0.005 0.000 0.269 421 N C 1.129 176.635 175.510 -0.007 0.000 1.210 421 N CA -0.145 52.899 53.050 -0.010 0.000 0.966 421 N CB 1.268 39.752 38.487 -0.006 0.000 1.293 421 N HN 0.586 nan 8.380 nan 0.000 0.491 422 E N 3.694 123.889 120.200 -0.008 0.000 2.049 422 E HA -0.167 4.180 4.350 -0.005 0.000 0.198 422 E C 1.552 178.150 176.600 -0.004 0.000 1.007 422 E CA 1.998 58.394 56.400 -0.006 0.000 0.809 422 E CB -0.221 29.474 29.700 -0.008 0.000 0.749 422 E HN 0.698 nan 8.360 nan 0.000 0.450 423 A N 0.192 123.010 122.820 -0.003 0.000 1.972 423 A HA -0.063 4.254 4.320 -0.005 0.000 0.219 423 A C 2.316 179.900 177.584 0.000 0.000 1.169 423 A CA 2.047 54.083 52.037 -0.002 0.000 0.635 423 A CB -0.730 18.268 19.000 -0.002 0.000 0.810 423 A HN 0.358 nan 8.150 nan 0.000 0.446 424 A N -0.373 122.448 122.820 0.001 0.000 1.935 424 A HA 0.118 4.435 4.320 -0.005 0.000 0.214 424 A C 2.041 179.628 177.584 0.005 0.000 1.178 424 A CA 1.106 53.145 52.037 0.003 0.000 0.640 424 A CB -0.456 18.547 19.000 0.004 0.000 0.825 424 A HN 0.446 nan 8.150 nan 0.000 0.447 425 I N -0.609 119.963 120.570 0.002 0.000 2.226 425 I HA -0.224 3.943 4.170 -0.005 0.000 0.245 425 I C 2.450 178.569 176.117 0.003 0.000 1.100 425 I CA 1.619 62.920 61.300 0.002 0.000 1.374 425 I CB -0.192 37.809 38.000 0.001 0.000 1.057 425 I HN 0.292 nan 8.210 nan 0.000 0.413 426 E N 0.782 120.984 120.200 0.002 0.000 2.150 426 E HA -0.134 4.213 4.350 -0.005 0.000 0.193 426 E C 2.205 178.807 176.600 0.004 0.000 0.985 426 E CA 1.143 57.544 56.400 0.003 0.000 0.814 426 E CB -0.112 29.589 29.700 0.001 0.000 0.752 426 E HN 0.451 nan 8.360 nan 0.000 0.466 427 A N 0.409 123.232 122.820 0.005 0.000 1.972 427 A HA -0.231 4.086 4.320 -0.005 0.000 0.219 427 A C 2.004 179.594 177.584 0.010 0.000 1.169 427 A CA 1.262 53.303 52.037 0.006 0.000 0.635 427 A CB -0.340 18.664 19.000 0.006 0.000 0.810 427 A HN 0.217 nan 8.150 nan 0.000 0.446 428 Q N -0.703 119.105 119.800 0.013 0.000 2.046 428 Q HA -0.135 4.203 4.340 -0.005 0.000 0.200 428 Q C 2.531 178.542 176.000 0.019 0.000 0.975 428 Q CA 1.458 57.274 55.803 0.022 0.000 0.836 428 Q CB -0.410 28.342 28.738 0.023 0.000 0.896 428 Q HN 0.670 nan 8.270 nan 0.000 0.428 429 A N 1.301 124.128 122.820 0.011 0.000 1.908 429 A HA -0.146 4.171 4.320 -0.005 0.000 0.218 429 A C 2.333 179.921 177.584 0.006 0.000 1.181 429 A CA 1.761 53.802 52.037 0.008 0.000 0.627 429 A CB -0.713 18.290 19.000 0.004 0.000 0.818 429 A HN 0.404 nan 8.150 nan 0.000 0.445 430 A N -0.672 122.151 122.820 0.005 0.000 1.940 430 A HA 0.085 4.402 4.320 -0.005 0.000 0.219 430 A C 2.315 179.900 177.584 0.002 0.000 1.176 430 A CA 1.951 53.989 52.037 0.003 0.000 0.631 430 A CB -1.164 17.838 19.000 0.002 0.000 0.814 430 A HN 0.760 nan 8.150 nan 0.000 0.446 431 G N -1.235 107.569 108.800 0.006 0.000 2.551 431 G HA2 0.106 4.063 3.960 -0.005 0.000 0.216 431 G HA3 0.106 4.063 3.960 -0.005 0.000 0.216 431 G C 1.352 176.256 174.900 0.006 0.000 1.137 431 G CA 0.961 46.065 45.100 0.006 0.000 0.798 431 G HN 0.304 nan 8.290 nan 0.000 0.536 432 V N 0.517 120.438 119.914 0.011 0.000 2.407 432 V HA -0.090 4.027 4.120 -0.005 0.000 0.245 432 V C 2.498 178.588 176.094 -0.006 0.000 1.041 432 V CA 2.044 64.350 62.300 0.010 0.000 1.040 432 V CB -0.142 31.692 31.823 0.019 0.000 0.671 432 V HN 0.527 nan 8.190 nan 0.000 0.455 433 E N 0.046 120.242 120.200 -0.008 0.000 2.077 433 E HA -0.307 4.040 4.350 -0.005 0.000 0.193 433 E C 2.207 178.796 176.600 -0.019 0.000 0.989 433 E CA 1.500 57.891 56.400 -0.016 0.000 0.800 433 E CB -0.081 29.613 29.700 -0.010 0.000 0.746 433 E HN 0.550 nan 8.360 nan 0.000 0.452 434 Q N 1.295 121.087 119.800 -0.014 0.000 2.014 434 Q HA -0.244 4.093 4.340 -0.005 0.000 0.207 434 Q C 2.172 178.158 176.000 -0.023 0.000 0.993 434 Q CA 2.355 58.148 55.803 -0.017 0.000 0.850 434 Q CB -0.418 28.313 28.738 -0.011 0.000 0.916 434 Q HN 0.216 nan 8.270 nan 0.000 0.417 435 R N -0.305 120.183 120.500 -0.019 0.000 2.134 435 R HA -0.219 4.118 4.340 -0.005 0.000 0.248 435 R C 2.247 178.525 176.300 -0.036 0.000 1.143 435 R CA 1.993 58.079 56.100 -0.024 0.000 0.957 435 R CB -0.626 29.664 30.300 -0.017 0.000 0.867 435 R HN 0.450 nan 8.270 nan 0.000 0.441 436 L N 0.557 121.757 121.223 -0.040 0.000 2.027 436 L HA -0.159 4.178 4.340 -0.005 0.000 0.206 436 L C 2.714 179.547 176.870 -0.060 0.000 1.074 436 L CA 1.668 56.473 54.840 -0.057 0.000 0.745 436 L CB -0.344 41.677 42.059 -0.062 0.000 0.898 436 L HN 0.208 nan 8.230 nan 0.000 0.433 437 K N 0.007 120.378 120.400 -0.048 0.000 2.044 437 K HA -0.215 4.102 4.320 -0.005 0.000 0.210 437 K C 1.731 178.300 176.600 -0.051 0.000 1.049 437 K CA 1.853 58.113 56.287 -0.046 0.000 0.927 437 K CB -0.352 32.127 32.500 -0.034 0.000 0.713 437 K HN 0.334 nan 8.250 nan 0.000 0.443 438 D N 1.043 121.415 120.400 -0.048 0.000 2.133 438 D HA -0.206 4.431 4.640 -0.005 0.000 0.195 438 D C 1.925 178.181 176.300 -0.072 0.000 0.997 438 D CA 1.030 54.998 54.000 -0.052 0.000 0.840 438 D CB -0.335 40.439 40.800 -0.044 0.000 0.947 438 D HN 0.085 nan 8.370 nan 0.000 0.452 439 L N 0.675 121.848 121.223 -0.082 0.000 2.056 439 L HA -0.117 4.220 4.340 -0.005 0.000 0.207 439 L C 2.299 179.100 176.870 -0.116 0.000 1.078 439 L CA 1.076 55.846 54.840 -0.116 0.000 0.749 439 L CB -0.216 41.776 42.059 -0.111 0.000 0.901 439 L HN -0.150 nan 8.230 nan 0.000 0.433 440 V N 0.481 120.339 119.914 -0.094 0.000 2.407 440 V HA -0.244 3.873 4.120 -0.005 0.000 0.248 440 V C 1.643 177.693 176.094 -0.073 0.000 1.055 440 V CA 1.890 64.138 62.300 -0.086 0.000 1.049 440 V CB -0.864 30.915 31.823 -0.073 0.000 0.662 440 V HN 0.561 nan 8.190 nan 0.000 0.455 441 N N 0.050 118.710 118.700 -0.066 0.000 2.322 441 N HA 0.028 4.765 4.740 -0.005 0.000 0.194 441 N C 0.748 176.223 175.510 -0.058 0.000 1.126 441 N CA 0.087 53.105 53.050 -0.054 0.000 0.845 441 N CB 0.138 38.599 38.487 -0.043 0.000 0.976 441 N HN 0.629 nan 8.380 nan 0.000 0.475 442 Q N 1.484 121.238 119.800 -0.077 0.000 2.314 442 Q HA 0.082 4.419 4.340 -0.005 0.000 0.257 442 Q C -1.166 174.789 176.000 -0.076 0.000 0.975 442 Q CA -0.215 55.537 55.803 -0.085 0.000 0.933 442 Q CB 0.721 29.383 28.738 -0.127 0.000 1.195 442 Q HN 0.043 nan 8.270 nan 0.000 0.426 443 D N 2.404 122.771 120.400 -0.056 0.000 2.252 443 D HA 0.509 5.146 4.640 -0.005 0.000 0.245 443 D C -0.197 176.080 176.300 -0.038 0.000 1.009 443 D CA -0.232 53.742 54.000 -0.043 0.000 0.870 443 D CB 1.868 42.650 40.800 -0.030 0.000 1.251 443 D HN 0.789 nan 8.370 nan 0.000 0.460 444 G N 0.652 109.435 108.800 -0.029 0.000 3.765 444 G HA2 0.234 4.191 3.960 -0.005 0.000 0.153 444 G HA3 0.234 4.191 3.960 -0.005 0.000 0.153 444 G C 0.773 175.670 174.900 -0.006 0.000 1.286 444 G CA 0.525 45.613 45.100 -0.020 0.000 0.814 444 G HN 1.019 nan 8.290 nan 0.000 0.772 445 G N 0.329 109.128 108.800 -0.001 0.000 2.212 445 G HA2 -0.166 3.791 3.960 -0.005 0.000 0.255 445 G HA3 -0.166 3.791 3.960 -0.005 0.000 0.255 445 G C -0.314 174.598 174.900 0.020 0.000 1.062 445 G CA 0.545 45.651 45.100 0.011 0.000 0.815 445 G HN 0.606 nan 8.290 nan 0.000 0.497 446 E N -0.312 119.905 120.200 0.027 0.000 2.234 446 E HA 0.248 4.595 4.350 -0.005 0.000 0.266 446 E C -0.006 176.638 176.600 0.073 0.000 0.877 446 E CA -0.824 55.600 56.400 0.040 0.000 0.758 446 E CB 1.242 30.964 29.700 0.036 0.000 1.170 446 E HN 0.344 nan 8.360 nan 0.000 0.415 447 N N 2.947 121.693 118.700 0.076 0.000 2.458 447 N HA -0.039 4.698 4.740 -0.005 0.000 0.258 447 N C 1.120 176.718 175.510 0.146 0.000 1.219 447 N CA -0.164 52.960 53.050 0.123 0.000 0.902 447 N CB 0.531 39.054 38.487 0.059 0.000 1.076 447 N HN 0.636 nan 8.380 nan 0.000 0.455 448 W N 4.255 125.579 121.300 0.041 0.000 2.465 448 W HA -0.053 4.604 4.660 -0.004 0.000 0.268 448 W C 0.926 177.479 176.519 0.056 0.000 1.242 448 W CA 0.814 58.201 57.345 0.071 0.000 1.248 448 W CB -0.934 28.581 29.460 0.092 0.000 1.118 448 W HN 0.487 nan 8.180 nan 0.000 0.587 449 A N 1.794 124.140 122.820 -0.789 0.000 1.930 449 A HA -0.102 4.215 4.320 -0.005 0.000 0.215 449 A C 2.064 179.372 177.584 -0.460 0.000 1.176 449 A CA 1.179 52.638 52.037 -0.964 0.000 0.632 449 A CB -0.469 18.154 19.000 -0.627 0.000 0.819 449 A HN 0.051 nan 8.150 nan 0.000 0.445 450 K N 0.089 120.343 120.400 -0.244 0.000 2.288 450 K HA 0.068 4.385 4.320 -0.005 0.000 0.201 450 K C 1.596 178.118 176.600 -0.130 0.000 1.048 450 K CA 0.888 57.087 56.287 -0.147 0.000 0.956 450 K CB -0.430 32.026 32.500 -0.074 0.000 0.746 450 K HN 0.618 nan 8.250 nan 0.000 0.461 451 I N 0.482 120.980 120.570 -0.120 0.000 2.400 451 I HA -0.121 4.046 4.170 -0.005 0.000 0.248 451 I C 2.740 178.780 176.117 -0.129 0.000 1.109 451 I CA 0.468 61.729 61.300 -0.065 0.000 1.425 451 I CB -0.208 37.824 38.000 0.054 0.000 1.094 451 I HN 0.104 nan 8.210 nan 0.000 0.425 452 R N 1.453 121.795 120.500 -0.262 0.000 2.097 452 R HA -0.236 4.101 4.340 -0.005 0.000 0.236 452 R C 1.806 177.958 176.300 -0.247 0.000 1.135 452 R CA 2.467 58.374 56.100 -0.322 0.000 0.934 452 R CB -0.334 29.541 30.300 -0.709 0.000 0.846 452 R HN 0.294 nan 8.270 nan 0.000 0.431 453 D N 0.272 120.517 120.400 -0.258 0.000 2.084 453 D HA -0.145 4.492 4.640 -0.005 0.000 0.194 453 D C 1.871 178.076 176.300 -0.159 0.000 0.990 453 D CA 1.434 55.313 54.000 -0.202 0.000 0.826 453 D CB -0.292 40.398 40.800 -0.183 0.000 0.971 453 D HN 0.461 nan 8.370 nan 0.000 0.453 454 E N 0.023 120.145 120.200 -0.130 0.000 2.204 454 E HA -0.091 4.256 4.350 -0.005 0.000 0.194 454 E C 2.007 178.550 176.600 -0.095 0.000 0.989 454 E CA 0.194 56.536 56.400 -0.096 0.000 0.824 454 E CB -0.025 29.634 29.700 -0.069 0.000 0.756 454 E HN 0.178 nan 8.360 nan 0.000 0.477 455 M N 0.421 119.956 119.600 -0.108 0.000 2.229 455 M HA -0.072 4.405 4.480 -0.005 0.000 0.264 455 M C 2.000 178.210 176.300 -0.151 0.000 1.063 455 M CA 1.481 56.711 55.300 -0.117 0.000 1.114 455 M CB -0.369 32.164 32.600 -0.111 0.000 1.387 455 M HN 0.127 nan 8.290 nan 0.000 0.420 456 G N 0.698 109.403 108.800 -0.158 0.000 2.424 456 G HA2 -0.177 3.780 3.960 -0.005 0.000 0.214 456 G HA3 -0.177 3.780 3.960 -0.005 0.000 0.214 456 G C 1.351 176.162 174.900 -0.149 0.000 1.202 456 G CA 0.509 45.506 45.100 -0.171 0.000 0.793 456 G HN 0.424 nan 8.290 nan 0.000 0.534 457 L N 1.262 122.398 121.223 -0.145 0.000 2.089 457 L HA -0.159 4.178 4.340 -0.005 0.000 0.213 457 L C 3.252 180.092 176.870 -0.051 0.000 1.079 457 L CA 1.898 56.674 54.840 -0.106 0.000 0.758 457 L CB -0.277 41.730 42.059 -0.088 0.000 0.891 457 L HN 0.311 nan 8.230 nan 0.000 0.433 458 A N -1.806 120.976 122.820 -0.063 0.000 1.898 458 A HA -0.117 4.200 4.320 -0.005 0.000 0.214 458 A C 2.222 179.782 177.584 -0.040 0.000 1.183 458 A CA 1.113 53.126 52.037 -0.041 0.000 0.622 458 A CB -0.336 18.634 19.000 -0.051 0.000 0.824 458 A HN 0.257 nan 8.150 nan 0.000 0.444 459 M N -0.305 119.223 119.600 -0.120 0.000 2.267 459 M HA -0.137 4.340 4.480 -0.005 0.000 0.263 459 M C 1.890 178.230 176.300 0.067 0.000 1.063 459 M CA 1.802 56.969 55.300 -0.221 0.000 1.090 459 M CB -0.959 31.229 32.600 -0.687 0.000 1.392 459 M HN 0.635 nan 8.290 nan 0.000 0.422 460 E N 0.365 120.673 120.200 0.181 0.000 2.076 460 E HA -0.143 4.205 4.350 -0.005 0.000 0.190 460 E C 1.761 178.500 176.600 0.231 0.000 0.979 460 E CA 1.396 57.989 56.400 0.322 0.000 0.807 460 E CB 0.067 29.923 29.700 0.259 0.000 0.761 460 E HN 0.432 nan 8.360 nan 0.000 0.454 461 E N -0.712 119.573 120.200 0.142 0.000 2.005 461 E HA -0.096 4.251 4.350 -0.005 0.000 0.198 461 E C 1.871 178.547 176.600 0.127 0.000 1.010 461 E CA 1.759 58.230 56.400 0.118 0.000 0.825 461 E CB -0.638 29.102 29.700 0.066 0.000 0.769 461 E HN 0.368 nan 8.360 nan 0.000 0.456 462 G N -1.496 107.361 108.800 0.096 0.000 2.623 462 G HA2 -0.116 3.841 3.960 -0.005 0.000 0.214 462 G HA3 -0.116 3.841 3.960 -0.005 0.000 0.214 462 G C 0.692 175.663 174.900 0.118 0.000 1.138 462 G CA 0.573 45.726 45.100 0.088 0.000 0.794 462 G HN 0.331 nan 8.290 nan 0.000 0.535 463 C N 1.550 120.948 119.300 0.163 0.000 2.624 463 C HA 0.581 5.038 4.460 -0.005 0.000 0.263 463 C C 1.573 176.737 174.990 0.290 0.000 1.587 463 C CA -1.052 58.102 59.018 0.226 0.000 1.718 463 C CB -0.617 27.259 27.740 0.227 0.000 3.050 463 C HN 0.392 nan 8.230 nan 0.000 0.517 464 G N 0.673 109.581 108.800 0.179 0.000 2.510 464 G HA2 0.395 4.352 3.960 -0.005 0.000 0.280 464 G HA3 0.395 4.352 3.960 -0.005 0.000 0.280 464 G C 1.143 175.911 174.900 -0.220 0.000 1.386 464 G CA -0.381 44.724 45.100 0.009 0.000 1.047 464 G HN 0.171 nan 8.290 nan 0.000 0.527 465 I N -1.412 118.758 120.570 -0.666 0.000 2.208 465 I HA -0.092 4.075 4.170 -0.005 0.000 0.245 465 I C 0.575 176.461 176.117 -0.385 0.000 1.097 465 I CA 1.432 62.281 61.300 -0.751 0.000 1.363 465 I CB -1.121 36.139 38.000 -1.233 0.000 1.051 465 I HN 0.217 nan 8.210 nan 0.000 0.413 466 Y N 1.925 122.117 120.300 -0.181 0.000 2.334 466 Y HA 0.520 5.067 4.550 -0.005 0.000 0.336 466 Y C 0.336 176.253 175.900 0.027 0.000 0.960 466 Y CA -0.952 57.135 58.100 -0.022 0.000 1.164 466 Y CB 1.249 39.787 38.460 0.129 0.000 1.155 466 Y HN -0.016 nan 8.280 nan 0.000 0.478 467 R N 1.526 122.114 120.500 0.147 0.000 2.637 467 R HA 0.542 4.879 4.340 -0.005 0.000 0.291 467 R C -0.810 175.509 176.300 0.033 0.000 0.963 467 R CA -0.851 55.297 56.100 0.080 0.000 0.901 467 R CB 2.026 32.355 30.300 0.049 0.000 1.160 467 R HN 0.607 nan 8.270 nan 0.000 0.457 468 T N -1.417 113.163 114.554 0.043 0.000 2.863 468 T HA 0.335 4.682 4.350 -0.005 0.000 0.285 468 T C -1.958 172.755 174.700 0.021 0.000 1.009 468 T CA -2.178 59.933 62.100 0.019 0.000 0.989 468 T CB 2.115 70.996 68.868 0.021 0.000 1.004 468 T HN 0.239 nan 8.240 nan 0.000 0.455 469 P HA -0.227 nan 4.420 nan 0.000 0.216 469 P C 1.401 178.707 177.300 0.009 0.000 1.157 469 P CA 1.167 64.275 63.100 0.013 0.000 0.880 469 P CB 0.197 31.902 31.700 0.009 0.000 0.791 470 E N -0.056 120.150 120.200 0.010 0.000 2.086 470 E HA -0.188 4.159 4.350 -0.005 0.000 0.200 470 E C 2.160 178.767 176.600 0.012 0.000 1.012 470 E CA 1.347 57.752 56.400 0.009 0.000 0.812 470 E CB -0.511 29.196 29.700 0.011 0.000 0.743 470 E HN 0.244 nan 8.360 nan 0.000 0.453 471 L N -0.310 120.926 121.223 0.022 0.000 2.102 471 L HA -0.084 4.253 4.340 -0.005 0.000 0.202 471 L C 2.841 179.726 176.870 0.024 0.000 1.076 471 L CA 0.513 55.371 54.840 0.029 0.000 0.761 471 L CB -0.276 41.812 42.059 0.048 0.000 0.921 471 L HN 0.164 nan 8.230 nan 0.000 0.444 472 M N -0.681 118.936 119.600 0.028 0.000 2.108 472 M HA -0.322 4.155 4.480 -0.005 0.000 0.257 472 M C 2.343 178.632 176.300 -0.018 0.000 1.071 472 M CA 1.893 57.205 55.300 0.020 0.000 1.093 472 M CB -0.434 32.185 32.600 0.032 0.000 1.345 472 M HN 0.234 nan 8.290 nan 0.000 0.403 473 Q N 0.987 120.772 119.800 -0.024 0.000 2.020 473 Q HA -0.194 4.143 4.340 -0.005 0.000 0.202 473 Q C 1.859 177.840 176.000 -0.032 0.000 0.982 473 Q CA 2.119 57.895 55.803 -0.045 0.000 0.838 473 Q CB -0.306 28.414 28.738 -0.031 0.000 0.899 473 Q HN 0.420 nan 8.270 nan 0.000 0.423 474 K N -1.041 119.351 120.400 -0.012 0.000 2.059 474 K HA -0.197 4.120 4.320 -0.005 0.000 0.212 474 K C 1.920 178.514 176.600 -0.009 0.000 1.050 474 K CA 2.006 58.289 56.287 -0.006 0.000 0.927 474 K CB -0.443 32.060 32.500 0.004 0.000 0.714 474 K HN 0.292 nan 8.250 nan 0.000 0.447 475 T N 1.412 115.962 114.554 -0.008 0.000 2.746 475 T HA -0.113 4.234 4.350 -0.005 0.000 0.267 475 T C 1.841 176.529 174.700 -0.019 0.000 1.039 475 T CA 1.573 63.666 62.100 -0.013 0.000 1.142 475 T CB -0.159 68.705 68.868 -0.007 0.000 0.866 475 T HN 0.224 nan 8.240 nan 0.000 0.444 476 I N 1.259 121.809 120.570 -0.033 0.000 2.286 476 I HA -0.187 3.980 4.170 -0.005 0.000 0.248 476 I C 2.174 178.290 176.117 -0.001 0.000 1.115 476 I CA 1.184 62.462 61.300 -0.037 0.000 1.392 476 I CB -0.295 37.591 38.000 -0.190 0.000 1.065 476 I HN 0.172 nan 8.210 nan 0.000 0.418 477 D N 0.580 120.972 120.400 -0.013 0.000 2.117 477 D HA -0.192 4.445 4.640 -0.005 0.000 0.198 477 D C 2.061 178.364 176.300 0.005 0.000 0.982 477 D CA 1.068 55.068 54.000 0.000 0.000 0.828 477 D CB -0.199 40.598 40.800 -0.004 0.000 0.967 477 D HN 0.092 nan 8.370 nan 0.000 0.464 478 K N 0.869 121.267 120.400 -0.003 0.000 2.057 478 K HA 0.014 4.331 4.320 -0.005 0.000 0.206 478 K C 2.176 178.772 176.600 -0.008 0.000 1.050 478 K CA 0.583 56.866 56.287 -0.007 0.000 0.935 478 K CB -0.527 31.964 32.500 -0.015 0.000 0.715 478 K HN 0.097 nan 8.250 nan 0.000 0.439 479 L N -0.108 121.110 121.223 -0.008 0.000 2.042 479 L HA -0.196 4.141 4.340 -0.005 0.000 0.210 479 L C 2.387 179.259 176.870 0.003 0.000 1.076 479 L CA 1.410 56.243 54.840 -0.011 0.000 0.749 479 L CB -0.645 41.415 42.059 0.001 0.000 0.893 479 L HN 0.252 nan 8.230 nan 0.000 0.432 480 A N -0.444 122.392 122.820 0.027 0.000 1.902 480 A HA -0.254 4.063 4.320 -0.005 0.000 0.217 480 A C 2.310 179.906 177.584 0.021 0.000 1.181 480 A CA 1.797 53.852 52.037 0.030 0.000 0.623 480 A CB -0.534 18.493 19.000 0.046 0.000 0.818 480 A HN 0.463 nan 8.150 nan 0.000 0.443 481 E N -0.067 120.144 120.200 0.017 0.000 2.153 481 E HA -0.161 4.186 4.350 -0.005 0.000 0.194 481 E C 1.923 178.538 176.600 0.025 0.000 0.988 481 E CA 1.081 57.492 56.400 0.018 0.000 0.811 481 E CB -0.175 29.532 29.700 0.012 0.000 0.746 481 E HN 0.651 nan 8.360 nan 0.000 0.466 482 L N 0.775 122.009 121.223 0.019 0.000 2.056 482 L HA -0.197 4.140 4.340 -0.005 0.000 0.207 482 L C 2.766 179.679 176.870 0.072 0.000 1.078 482 L CA 0.947 55.807 54.840 0.032 0.000 0.749 482 L CB -0.450 41.610 42.059 0.002 0.000 0.901 482 L HN 0.074 nan 8.230 nan 0.000 0.433 483 Q N -0.020 119.806 119.800 0.043 0.000 2.248 483 Q HA -0.292 4.045 4.340 -0.005 0.000 0.208 483 Q C 1.957 178.045 176.000 0.147 0.000 0.984 483 Q CA 1.609 57.456 55.803 0.073 0.000 0.875 483 Q CB -0.275 28.471 28.738 0.012 0.000 0.910 483 Q HN 0.604 nan 8.270 nan 0.000 0.433 484 E N 0.530 120.786 120.200 0.094 0.000 2.385 484 E HA -0.066 4.281 4.350 -0.005 0.000 0.194 484 E C 1.480 178.125 176.600 0.076 0.000 1.013 484 E CA 0.031 56.476 56.400 0.075 0.000 0.866 484 E CB 0.303 30.030 29.700 0.044 0.000 0.832 484 E HN 0.307 nan 8.360 nan 0.000 0.500 485 R N -0.681 119.877 120.500 0.098 0.000 2.210 485 R HA 0.030 4.367 4.340 -0.005 0.000 0.203 485 R C 2.038 178.412 176.300 0.123 0.000 1.010 485 R CA 0.451 56.603 56.100 0.087 0.000 1.008 485 R CB -0.211 30.135 30.300 0.077 0.000 0.923 485 R HN 0.104 nan 8.270 nan 0.000 0.469 486 F N 2.510 122.472 119.950 0.020 0.000 2.206 486 F HA -0.011 4.513 4.527 -0.005 0.000 0.298 486 F C 1.512 177.323 175.800 0.018 0.000 1.090 486 F CA 1.316 59.334 58.000 0.031 0.000 1.323 486 F CB 0.168 39.182 39.000 0.024 0.000 1.028 486 F HN -0.265 nan 8.300 nan 0.000 0.492 487 K N 0.465 120.854 120.400 -0.020 0.000 2.555 487 K HA -0.050 4.267 4.320 -0.005 0.000 0.193 487 K C 0.794 177.324 176.600 -0.117 0.000 1.032 487 K CA 0.688 56.904 56.287 -0.120 0.000 1.004 487 K CB -0.100 32.405 32.500 0.007 0.000 0.804 487 K HN 0.409 nan 8.250 nan 0.000 0.496 488 R N -0.349 120.102 120.500 -0.081 0.000 2.700 488 R HA 0.214 4.551 4.340 -0.005 0.000 0.399 488 R C -0.756 175.510 176.300 -0.057 0.000 1.115 488 R CA -0.373 55.692 56.100 -0.058 0.000 1.058 488 R CB 0.318 30.607 30.300 -0.019 0.000 1.389 488 R HN -0.201 nan 8.270 nan 0.000 0.582 489 V N 1.930 121.776 119.914 -0.113 0.000 2.407 489 V HA 0.327 4.444 4.120 -0.005 0.000 0.278 489 V C -0.150 175.891 176.094 -0.088 0.000 1.037 489 V CA -0.718 61.540 62.300 -0.069 0.000 0.900 489 V CB 1.323 33.114 31.823 -0.055 0.000 0.983 489 V HN 0.293 nan 8.190 nan 0.000 0.459 490 R N 4.669 125.148 120.500 -0.036 0.000 2.407 490 R HA 0.545 4.883 4.340 -0.005 0.000 0.303 490 R C -0.842 175.441 176.300 -0.029 0.000 0.981 490 R CA -0.478 55.597 56.100 -0.040 0.000 0.905 490 R CB 0.843 31.130 30.300 -0.023 0.000 1.099 490 R HN 0.663 nan 8.270 nan 0.000 0.459 491 I N 4.563 125.101 120.570 -0.053 0.000 2.282 491 I HA 0.132 4.299 4.170 -0.005 0.000 0.290 491 I C 0.835 176.930 176.117 -0.036 0.000 1.090 491 I CA -0.128 61.137 61.300 -0.058 0.000 1.231 491 I CB 1.453 39.396 38.000 -0.096 0.000 1.434 491 I HN 0.722 nan 8.210 nan 0.000 0.487 492 T N 2.158 116.705 114.554 -0.012 0.000 2.867 492 T HA -0.127 4.220 4.350 -0.005 0.000 0.268 492 T C 0.770 175.467 174.700 -0.005 0.000 1.057 492 T CA 1.091 63.191 62.100 -0.000 0.000 1.136 492 T CB -0.235 68.646 68.868 0.022 0.000 0.874 492 T HN 0.497 nan 8.240 nan 0.000 0.466 493 D N 1.576 121.969 120.400 -0.013 0.000 2.338 493 D HA 0.100 4.737 4.640 -0.005 0.000 0.255 493 D C 1.188 177.469 176.300 -0.031 0.000 1.237 493 D CA 0.122 54.113 54.000 -0.016 0.000 0.883 493 D CB 1.148 41.937 40.800 -0.017 0.000 1.087 493 D HN 0.246 nan 8.370 nan 0.000 0.485 494 T N 0.279 114.820 114.554 -0.021 0.000 3.060 494 T HA 0.098 4.445 4.350 -0.005 0.000 0.249 494 T C 1.007 175.693 174.700 -0.023 0.000 1.079 494 T CA -0.248 61.836 62.100 -0.027 0.000 1.013 494 T CB 0.029 68.886 68.868 -0.019 0.000 0.975 494 T HN 0.170 nan 8.240 nan 0.000 0.518 495 S N 0.526 116.218 115.700 -0.014 0.000 2.573 495 S HA 0.271 4.738 4.470 -0.005 0.000 0.277 495 S C 1.301 175.893 174.600 -0.012 0.000 1.346 495 S CA -0.303 57.894 58.200 -0.005 0.000 1.034 495 S CB 0.660 63.866 63.200 0.011 0.000 0.879 495 S HN 0.456 nan 8.310 nan 0.000 0.528 496 S N 1.469 117.168 115.700 -0.002 0.000 2.439 496 S HA 0.037 4.504 4.470 -0.005 0.000 0.224 496 S C 0.455 175.063 174.600 0.013 0.000 1.029 496 S CA 0.359 58.556 58.200 -0.006 0.000 0.946 496 S CB -0.143 63.058 63.200 0.002 0.000 0.797 496 S HN 0.820 nan 8.310 nan 0.000 0.504 497 V N 1.005 120.944 119.914 0.042 0.000 2.425 497 V HA 0.309 4.426 4.120 -0.005 0.000 0.276 497 V C 0.180 176.370 176.094 0.159 0.000 1.017 497 V CA -0.553 61.801 62.300 0.091 0.000 1.062 497 V CB -1.751 30.119 31.823 0.079 0.000 0.997 497 V HN 0.412 nan 8.190 nan 0.000 0.476 498 F N 3.100 123.032 119.950 -0.031 0.000 2.738 498 F HA -0.221 4.303 4.527 -0.005 0.000 0.232 498 F C 0.860 176.620 175.800 -0.068 0.000 1.025 498 F CA 0.817 58.790 58.000 -0.044 0.000 0.895 498 F CB -0.671 38.313 39.000 -0.026 0.000 0.839 498 F HN 0.870 nan 8.300 nan 0.000 0.850 499 N N 1.472 120.108 118.700 -0.106 0.000 2.739 499 N HA 0.055 4.792 4.740 -0.005 0.000 0.266 499 N C 1.382 176.735 175.510 -0.262 0.000 1.168 499 N CA 0.739 53.714 53.050 -0.126 0.000 1.055 499 N CB 0.521 38.937 38.487 -0.118 0.000 1.393 499 N HN 0.523 nan 8.380 nan 0.000 0.514 500 T N -0.967 113.437 114.554 -0.250 0.000 2.788 500 T HA -0.181 4.166 4.350 -0.005 0.000 0.268 500 T C 1.440 175.840 174.700 -0.501 0.000 1.044 500 T CA 0.866 62.672 62.100 -0.491 0.000 1.139 500 T CB -0.038 68.648 68.868 -0.304 0.000 0.867 500 T HN 0.329 nan 8.240 nan 0.000 0.454 501 D N 1.268 121.531 120.400 -0.227 0.000 2.116 501 D HA -0.134 4.503 4.640 -0.005 0.000 0.193 501 D C 2.041 178.140 176.300 -0.334 0.000 0.998 501 D CA 1.118 54.985 54.000 -0.221 0.000 0.836 501 D CB -0.366 40.367 40.800 -0.112 0.000 0.951 501 D HN 0.339 nan 8.370 nan 0.000 0.449 502 L N 0.635 121.687 121.223 -0.285 0.000 1.994 502 L HA -0.148 4.189 4.340 -0.005 0.000 0.208 502 L C 2.600 179.262 176.870 -0.347 0.000 1.071 502 L CA 1.430 56.102 54.840 -0.280 0.000 0.745 502 L CB -0.606 41.311 42.059 -0.237 0.000 0.892 502 L HN 0.101 nan 8.230 nan 0.000 0.431 503 L N -2.098 118.870 121.223 -0.425 0.000 2.083 503 L HA -0.258 4.079 4.340 -0.005 0.000 0.209 503 L C 2.426 179.132 176.870 -0.273 0.000 1.083 503 L CA 1.556 56.135 54.840 -0.436 0.000 0.752 503 L CB -0.983 40.828 42.059 -0.413 0.000 0.899 503 L HN 0.296 nan 8.230 nan 0.000 0.433 504 Y N -0.061 120.046 120.300 -0.321 0.000 2.263 504 Y HA -0.176 4.371 4.550 -0.005 0.000 0.292 504 Y C 2.862 178.398 175.900 -0.607 0.000 1.130 504 Y CA 0.906 58.712 58.100 -0.490 0.000 1.179 504 Y CB -0.387 37.571 38.460 -0.837 0.000 0.998 504 Y HN 0.124 nan 8.280 nan 0.000 0.532 505 T N 0.657 114.938 114.554 -0.456 0.000 2.821 505 T HA -0.159 4.188 4.350 -0.005 0.000 0.267 505 T C 1.822 176.597 174.700 0.126 0.000 1.046 505 T CA 1.308 63.313 62.100 -0.159 0.000 1.139 505 T CB -0.374 68.378 68.868 -0.193 0.000 0.871 505 T HN 0.249 nan 8.240 nan 0.000 0.454 506 I N 1.119 121.692 120.570 0.005 0.000 2.127 506 I HA -0.190 3.978 4.170 -0.005 0.000 0.241 506 I C 2.685 178.952 176.117 0.251 0.000 1.075 506 I CA 1.479 62.828 61.300 0.083 0.000 1.334 506 I CB -0.389 37.496 38.000 -0.191 0.000 1.040 506 I HN 0.307 nan 8.210 nan 0.000 0.405 507 E N 0.479 120.810 120.200 0.218 0.000 2.085 507 E HA -0.273 4.074 4.350 -0.005 0.000 0.194 507 E C 2.142 178.894 176.600 0.254 0.000 0.994 507 E CA 1.234 57.798 56.400 0.274 0.000 0.801 507 E CB -0.267 29.609 29.700 0.293 0.000 0.743 507 E HN 0.318 nan 8.360 nan 0.000 0.453 508 L N 1.030 122.430 121.223 0.296 0.000 2.013 508 L HA -0.150 4.187 4.340 -0.005 0.000 0.212 508 L C 2.236 179.095 176.870 -0.018 0.000 1.073 508 L CA 2.466 57.469 54.840 0.272 0.000 0.753 508 L CB -0.967 41.419 42.059 0.544 0.000 0.890 508 L HN 0.103 nan 8.230 nan 0.000 0.432 509 G N -2.317 106.400 108.800 -0.138 0.000 2.422 509 G HA2 -0.322 3.635 3.960 -0.005 0.000 0.218 509 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.218 509 G C 1.348 176.054 174.900 -0.324 0.000 1.146 509 G CA 1.039 45.736 45.100 -0.672 0.000 0.769 509 G HN 0.604 nan 8.290 nan 0.000 0.547 510 H N -0.083 118.917 119.070 -0.116 0.000 2.457 510 H HA 0.020 4.573 4.556 -0.005 0.000 0.297 510 H C 2.699 177.970 175.328 -0.095 0.000 1.092 510 H CA 1.490 57.496 56.048 -0.070 0.000 1.309 510 H CB 0.102 29.872 29.762 0.014 0.000 1.382 510 H HN 0.381 nan 8.280 nan 0.000 0.535 511 G N -0.801 108.004 108.800 0.008 0.000 2.545 511 G HA2 -0.059 3.898 3.960 -0.005 0.000 0.212 511 G HA3 -0.059 3.898 3.960 -0.005 0.000 0.212 511 G C 1.521 176.351 174.900 -0.117 0.000 1.144 511 G CA 0.041 45.115 45.100 -0.044 0.000 0.813 511 G HN 0.252 nan 8.290 nan 0.000 0.531 512 L N 1.154 122.273 121.223 -0.173 0.000 2.129 512 L HA -0.126 4.211 4.340 -0.005 0.000 0.212 512 L C 2.495 179.254 176.870 -0.186 0.000 1.087 512 L CA 0.927 55.645 54.840 -0.202 0.000 0.757 512 L CB -0.271 41.603 42.059 -0.308 0.000 0.896 512 L HN 0.131 nan 8.230 nan 0.000 0.434 513 N N -0.724 117.858 118.700 -0.197 0.000 2.300 513 N HA -0.087 4.650 4.740 -0.005 0.000 0.179 513 N C 1.816 177.240 175.510 -0.144 0.000 1.016 513 N CA 1.122 54.066 53.050 -0.177 0.000 0.876 513 N CB -0.239 38.131 38.487 -0.194 0.000 0.979 513 N HN 0.171 nan 8.380 nan 0.000 0.432 514 V N 1.201 121.044 119.914 -0.119 0.000 2.719 514 V HA -0.005 4.112 4.120 -0.005 0.000 0.252 514 V C 2.367 178.396 176.094 -0.109 0.000 1.065 514 V CA 1.306 63.544 62.300 -0.103 0.000 1.086 514 V CB -0.833 30.943 31.823 -0.077 0.000 0.700 514 V HN 0.226 nan 8.190 nan 0.000 0.467 515 A N 0.415 123.162 122.820 -0.122 0.000 1.841 515 A HA -0.210 4.107 4.320 -0.005 0.000 0.214 515 A C 2.159 179.696 177.584 -0.077 0.000 1.195 515 A CA 1.721 53.681 52.037 -0.128 0.000 0.611 515 A CB -0.520 18.392 19.000 -0.148 0.000 0.835 515 A HN 0.558 nan 8.150 nan 0.000 0.443 516 E N -0.985 119.171 120.200 -0.073 0.000 2.265 516 E HA -0.166 4.181 4.350 -0.005 0.000 0.196 516 E C 1.861 178.418 176.600 -0.072 0.000 0.996 516 E CA 0.951 57.336 56.400 -0.025 0.000 0.832 516 E CB -0.359 29.250 29.700 -0.152 0.000 0.756 516 E HN 0.649 nan 8.360 nan 0.000 0.491 517 C N 0.109 119.340 119.300 -0.114 0.000 2.467 517 C HA 0.042 4.499 4.460 -0.005 0.000 0.279 517 C C 2.471 177.415 174.990 -0.076 0.000 1.347 517 C CA 0.283 59.231 59.018 -0.117 0.000 1.748 517 C CB -0.456 27.202 27.740 -0.136 0.000 1.977 517 C HN 0.459 nan 8.230 nan 0.000 0.501 518 M N 0.487 120.050 119.600 -0.062 0.000 2.193 518 M HA -0.035 4.442 4.480 -0.005 0.000 0.265 518 M C 2.486 178.766 176.300 -0.034 0.000 1.071 518 M CA 1.817 57.081 55.300 -0.059 0.000 1.140 518 M CB -0.399 32.176 32.600 -0.041 0.000 1.369 518 M HN 0.401 nan 8.290 nan 0.000 0.423 519 A N -0.444 122.388 122.820 0.020 0.000 1.855 519 A HA -0.147 4.170 4.320 -0.005 0.000 0.213 519 A C 1.682 179.298 177.584 0.054 0.000 1.195 519 A CA 1.525 53.587 52.037 0.042 0.000 0.610 519 A CB -1.068 17.960 19.000 0.047 0.000 0.837 519 A HN 0.420 nan 8.150 nan 0.000 0.444 520 H N 0.454 119.499 119.070 -0.041 0.000 2.387 520 H HA -0.073 4.480 4.556 -0.005 0.000 0.299 520 H C 2.491 177.800 175.328 -0.031 0.000 1.099 520 H CA 1.708 57.741 56.048 -0.025 0.000 1.315 520 H CB -0.229 29.515 29.762 -0.029 0.000 1.380 520 H HN 0.458 nan 8.280 nan 0.000 0.513 521 S N -0.090 115.639 115.700 0.049 0.000 2.368 521 S HA -0.155 4.312 4.470 -0.005 0.000 0.225 521 S C 2.451 176.990 174.600 -0.101 0.000 1.030 521 S CA 0.896 59.068 58.200 -0.047 0.000 0.999 521 S CB -0.367 62.758 63.200 -0.125 0.000 0.844 521 S HN 0.602 nan 8.310 nan 0.000 0.459 522 A N 1.434 124.172 122.820 -0.137 0.000 1.872 522 A HA -0.008 4.309 4.320 -0.005 0.000 0.214 522 A C 2.148 179.722 177.584 -0.017 0.000 1.187 522 A CA 1.696 53.593 52.037 -0.233 0.000 0.614 522 A CB -0.642 18.320 19.000 -0.063 0.000 0.826 522 A HN 0.459 nan 8.150 nan 0.000 0.442 523 M N 0.245 119.865 119.600 0.033 0.000 2.149 523 M HA -0.067 4.410 4.480 -0.005 0.000 0.261 523 M C 1.927 178.274 176.300 0.078 0.000 1.064 523 M CA 2.010 57.340 55.300 0.051 0.000 1.102 523 M CB -0.275 32.313 32.600 -0.020 0.000 1.369 523 M HN 0.333 nan 8.290 nan 0.000 0.408 524 A N -0.705 122.180 122.820 0.107 0.000 2.123 524 A HA 0.116 4.433 4.320 -0.005 0.000 0.214 524 A C 1.194 178.941 177.584 0.273 0.000 1.152 524 A CA 0.123 52.287 52.037 0.212 0.000 0.728 524 A CB -0.411 18.763 19.000 0.291 0.000 0.814 524 A HN 0.421 nan 8.150 nan 0.000 0.464 525 R N 1.797 122.372 120.500 0.125 0.000 2.357 525 R HA 0.152 4.489 4.340 -0.005 0.000 0.330 525 R C -0.602 175.563 176.300 -0.224 0.000 1.102 525 R CA 0.449 56.519 56.100 -0.051 0.000 0.974 525 R CB -0.514 29.660 30.300 -0.209 0.000 1.002 525 R HN 0.172 nan 8.270 nan 0.000 0.463 526 K N 4.906 124.852 120.400 -0.756 0.000 2.778 526 K HA 0.107 4.424 4.320 -0.005 0.000 0.238 526 K C -0.677 175.427 176.600 -0.827 0.000 1.233 526 K CA -0.217 55.737 56.287 -0.554 0.000 1.195 526 K CB 0.192 32.601 32.500 -0.151 0.000 1.743 526 K HN 0.780 nan 8.250 nan 0.000 0.418 527 E N -1.740 118.137 120.200 -0.538 0.000 2.447 527 E HA 0.322 4.669 4.350 -0.005 0.000 0.279 527 E C -1.275 175.296 176.600 -0.048 0.000 1.053 527 E CA -0.999 55.239 56.400 -0.270 0.000 0.840 527 E CB 1.174 30.715 29.700 -0.265 0.000 1.409 527 E HN -0.136 nan 8.360 nan 0.000 0.461 528 S N 0.403 116.103 115.700 0.000 0.000 2.601 528 S HA 0.487 4.955 4.470 -0.005 0.000 0.312 528 S C -0.914 173.747 174.600 0.101 0.000 1.107 528 S CA -0.667 57.558 58.200 0.041 0.000 1.129 528 S CB 0.399 63.603 63.200 0.006 0.000 0.982 528 S HN 0.445 nan 8.310 nan 0.000 0.469 529 R N 2.138 122.750 120.500 0.187 0.000 2.533 529 R HA 0.576 4.913 4.340 -0.005 0.000 0.288 529 R C 0.696 177.125 176.300 0.215 0.000 1.039 529 R CA 0.280 56.489 56.100 0.182 0.000 0.909 529 R CB 0.894 31.308 30.300 0.190 0.000 1.195 529 R HN 0.788 nan 8.270 nan 0.000 0.438 530 G N 2.442 111.312 108.800 0.116 0.000 2.583 530 G HA2 -0.448 3.509 3.960 -0.005 0.000 0.292 530 G HA3 -0.448 3.509 3.960 -0.005 0.000 0.292 530 G C 0.765 175.761 174.900 0.160 0.000 1.203 530 G CA 0.500 45.654 45.100 0.090 0.000 0.987 530 G HN 0.896 nan 8.290 nan 0.000 0.554 531 A N -0.739 122.217 122.820 0.227 0.000 2.121 531 A HA 0.198 4.515 4.320 -0.005 0.000 0.218 531 A C 1.251 178.999 177.584 0.274 0.000 1.154 531 A CA 2.105 54.278 52.037 0.226 0.000 0.679 531 A CB -0.381 18.782 19.000 0.272 0.000 0.795 531 A HN 1.308 nan 8.150 nan 0.000 0.458 532 H N 1.099 120.332 119.070 0.272 0.000 2.800 532 H HA 0.422 4.976 4.556 -0.005 0.000 0.291 532 H C -0.619 174.790 175.328 0.135 0.000 1.076 532 H CA 0.036 56.193 56.048 0.182 0.000 1.452 532 H CB 0.210 30.089 29.762 0.194 0.000 1.461 532 H HN 0.171 nan 8.280 nan 0.000 0.488 533 Q N 5.031 124.732 119.800 -0.165 0.000 2.303 533 Q HA 0.321 4.658 4.340 -0.005 0.000 0.267 533 Q C -0.375 175.537 176.000 -0.147 0.000 1.011 533 Q CA -0.539 55.221 55.803 -0.072 0.000 0.740 533 Q CB 1.843 30.671 28.738 0.149 0.000 1.250 533 Q HN 0.713 nan 8.270 nan 0.000 0.458 534 R N 2.031 122.403 120.500 -0.213 0.000 2.428 534 R HA 0.448 4.785 4.340 -0.005 0.000 0.294 534 R C 1.172 177.405 176.300 -0.113 0.000 1.000 534 R CA -0.383 55.616 56.100 -0.168 0.000 0.960 534 R CB 1.411 31.605 30.300 -0.176 0.000 1.076 534 R HN 0.482 nan 8.270 nan 0.000 0.475 535 L N 0.977 122.133 121.223 -0.111 0.000 2.249 535 L HA -0.016 4.321 4.340 -0.005 0.000 0.207 535 L C 0.693 177.511 176.870 -0.087 0.000 1.090 535 L CA 0.245 55.000 54.840 -0.141 0.000 0.802 535 L CB -0.339 41.626 42.059 -0.157 0.000 0.947 535 L HN 0.713 nan 8.230 nan 0.000 0.453 536 D N 1.576 121.940 120.400 -0.060 0.000 2.419 536 D HA -0.066 4.571 4.640 -0.005 0.000 0.236 536 D C 0.113 176.392 176.300 -0.035 0.000 1.165 536 D CA -0.210 53.767 54.000 -0.039 0.000 0.882 536 D CB 0.461 41.246 40.800 -0.025 0.000 1.201 536 D HN 0.067 nan 8.370 nan 0.000 0.443 537 E N 0.402 120.588 120.200 -0.023 0.000 2.392 537 E HA 0.310 4.657 4.350 -0.005 0.000 0.264 537 E C 1.243 177.837 176.600 -0.009 0.000 1.024 537 E CA 0.047 56.437 56.400 -0.016 0.000 0.903 537 E CB 0.382 30.076 29.700 -0.010 0.000 0.963 537 E HN 0.820 nan 8.360 nan 0.000 0.432 538 G N 2.206 111.002 108.800 -0.006 0.000 2.579 538 G HA2 -0.384 3.573 3.960 -0.005 0.000 0.222 538 G HA3 -0.384 3.573 3.960 -0.005 0.000 0.222 538 G C 1.058 175.955 174.900 -0.006 0.000 1.201 538 G CA 0.136 45.238 45.100 0.004 0.000 0.710 538 G HN 0.632 nan 8.290 nan 0.000 0.516 539 C N 2.443 121.727 119.300 -0.027 0.000 2.618 539 C HA 0.328 4.785 4.460 -0.005 0.000 0.264 539 C C 2.700 177.657 174.990 -0.055 0.000 1.334 539 C CA 1.422 60.404 59.018 -0.060 0.000 1.731 539 C CB -1.189 26.503 27.740 -0.078 0.000 1.852 539 C HN 0.667 nan 8.230 nan 0.000 0.566 540 T N 1.165 115.696 114.554 -0.038 0.000 3.025 540 T HA -0.059 4.288 4.350 -0.005 0.000 0.270 540 T C 0.303 174.993 174.700 -0.017 0.000 1.126 540 T CA 1.199 63.278 62.100 -0.036 0.000 1.105 540 T CB -0.117 68.732 68.868 -0.033 0.000 0.884 540 T HN 0.691 nan 8.240 nan 0.000 0.522 541 E N -0.260 119.935 120.200 -0.009 0.000 2.450 541 E HA 0.541 4.888 4.350 -0.005 0.000 0.272 541 E C -0.540 176.069 176.600 0.015 0.000 0.967 541 E CA -1.039 55.365 56.400 0.008 0.000 0.818 541 E CB 1.145 30.850 29.700 0.009 0.000 1.401 541 E HN -0.056 nan 8.360 nan 0.000 0.450 542 R N 1.416 121.931 120.500 0.026 0.000 2.389 542 R HA 0.129 4.466 4.340 -0.005 0.000 0.295 542 R C -0.966 175.356 176.300 0.037 0.000 1.075 542 R CA 0.047 56.170 56.100 0.038 0.000 1.005 542 R CB 0.400 30.718 30.300 0.031 0.000 0.987 542 R HN 0.487 nan 8.270 nan 0.000 0.452 543 D N 3.099 123.542 120.400 0.072 0.000 2.471 543 D HA 0.085 4.722 4.640 -0.005 0.000 0.245 543 D C -0.614 175.749 176.300 0.105 0.000 1.116 543 D CA -0.455 53.603 54.000 0.097 0.000 0.853 543 D CB 1.403 42.304 40.800 0.169 0.000 1.123 543 D HN 0.449 nan 8.370 nan 0.000 0.540 544 D N 2.695 123.120 120.400 0.041 0.000 2.339 544 D HA 0.019 4.656 4.640 -0.005 0.000 0.217 544 D C 1.815 178.122 176.300 0.013 0.000 1.050 544 D CA 0.325 54.333 54.000 0.014 0.000 0.856 544 D CB 1.126 41.897 40.800 -0.049 0.000 0.922 544 D HN 0.247 nan 8.370 nan 0.000 0.518 545 V N 0.389 120.318 119.914 0.025 0.000 2.685 545 V HA 0.007 4.124 4.120 -0.005 0.000 0.244 545 V C 1.498 177.572 176.094 -0.034 0.000 1.054 545 V CA 1.139 63.438 62.300 -0.002 0.000 1.076 545 V CB -0.178 31.646 31.823 0.003 0.000 0.725 545 V HN 0.115 nan 8.190 nan 0.000 0.467 546 N N -1.202 117.486 118.700 -0.020 0.000 2.516 546 N HA 0.180 4.917 4.740 -0.005 0.000 0.197 546 N C 0.813 176.061 175.510 -0.437 0.000 1.064 546 N CA 0.380 53.295 53.050 -0.224 0.000 0.866 546 N CB 0.339 38.692 38.487 -0.224 0.000 1.255 546 N HN 0.360 nan 8.380 nan 0.000 0.447 547 F N 0.743 120.669 119.950 -0.040 0.000 2.698 547 F HA 0.344 4.868 4.527 -0.005 0.000 0.304 547 F C 0.097 175.904 175.800 0.012 0.000 1.108 547 F CA -0.556 57.429 58.000 -0.025 0.000 1.263 547 F CB 0.482 39.494 39.000 0.020 0.000 1.013 547 F HN -0.051 nan 8.300 nan 0.000 0.532 548 L N 3.970 125.253 121.223 0.100 0.000 2.400 548 L HA 0.151 4.488 4.340 -0.005 0.000 0.262 548 L C 0.134 177.003 176.870 -0.002 0.000 1.309 548 L CA 0.569 55.441 54.840 0.055 0.000 1.186 548 L CB -1.448 40.629 42.059 0.029 0.000 1.375 548 L HN 0.209 nan 8.230 nan 0.000 0.433 549 K N 0.686 121.088 120.400 0.003 0.000 2.658 549 K HA 0.391 4.708 4.320 -0.005 0.000 0.293 549 K C -1.412 175.177 176.600 -0.018 0.000 1.026 549 K CA -0.989 55.272 56.287 -0.044 0.000 0.871 549 K CB 0.885 33.413 32.500 0.047 0.000 1.524 549 K HN 0.036 nan 8.250 nan 0.000 0.400 550 H N 0.656 119.869 119.070 0.239 0.000 2.487 550 H HA 0.266 4.819 4.556 -0.005 0.000 0.333 550 H C -0.341 175.146 175.328 0.266 0.000 1.114 550 H CA -0.315 55.880 56.048 0.245 0.000 1.310 550 H CB 1.751 31.610 29.762 0.161 0.000 1.462 550 H HN 0.518 nan 8.280 nan 0.000 0.516 551 T N 3.887 118.635 114.554 0.323 0.000 2.889 551 T HA 0.418 4.765 4.350 -0.005 0.000 0.291 551 T C 0.554 175.249 174.700 -0.007 0.000 0.995 551 T CA -0.577 61.578 62.100 0.092 0.000 1.092 551 T CB 0.389 69.266 68.868 0.016 0.000 0.954 551 T HN 0.254 nan 8.240 nan 0.000 0.506 552 L N 2.150 123.302 121.223 -0.117 0.000 2.406 552 L HA 0.701 5.038 4.340 -0.005 0.000 0.272 552 L C -0.116 176.651 176.870 -0.172 0.000 0.980 552 L CA -1.203 53.562 54.840 -0.126 0.000 0.831 552 L CB 1.696 43.775 42.059 0.033 0.000 1.253 552 L HN 0.667 nan 8.230 nan 0.000 0.406 553 A N 3.166 125.793 122.820 -0.322 0.000 2.292 553 A HA 0.850 5.167 4.320 -0.005 0.000 0.319 553 A C -1.164 176.154 177.584 -0.444 0.000 1.206 553 A CA -0.203 51.686 52.037 -0.247 0.000 0.835 553 A CB 0.363 19.244 19.000 -0.198 0.000 1.164 553 A HN 0.518 nan 8.150 nan 0.000 0.505 554 F N 1.461 121.346 119.950 -0.107 0.000 2.500 554 F HA 0.454 4.977 4.527 -0.005 0.000 0.349 554 F C 0.423 176.163 175.800 -0.101 0.000 1.127 554 F CA -0.432 57.514 58.000 -0.091 0.000 0.998 554 F CB 1.861 40.815 39.000 -0.076 0.000 1.237 554 F HN 0.652 nan 8.300 nan 0.000 0.439 555 R N 3.036 123.543 120.500 0.011 0.000 2.210 555 R HA 0.258 4.595 4.340 -0.005 0.000 0.338 555 R C -0.790 175.502 176.300 -0.013 0.000 1.062 555 R CA -0.215 55.862 56.100 -0.038 0.000 0.902 555 R CB -0.028 30.214 30.300 -0.096 0.000 1.050 555 R HN 0.424 nan 8.270 nan 0.000 0.461 556 D N 3.075 123.468 120.400 -0.011 0.000 2.348 556 D HA 0.132 4.770 4.640 -0.005 0.000 0.249 556 D C 0.798 177.076 176.300 -0.037 0.000 1.110 556 D CA -0.017 53.975 54.000 -0.014 0.000 0.967 556 D CB 1.242 42.035 40.800 -0.013 0.000 1.139 556 D HN 0.604 nan 8.370 nan 0.000 0.466 557 A N 0.975 123.774 122.820 -0.036 0.000 2.178 557 A HA -0.151 4.166 4.320 -0.005 0.000 0.218 557 A C 1.258 178.821 177.584 -0.035 0.000 1.157 557 A CA 0.990 53.001 52.037 -0.043 0.000 0.689 557 A CB -0.450 18.527 19.000 -0.037 0.000 0.787 557 A HN 0.603 nan 8.150 nan 0.000 0.465 558 D N -1.692 118.690 120.400 -0.029 0.000 2.363 558 D HA 0.139 4.776 4.640 -0.005 0.000 0.220 558 D C 1.361 177.646 176.300 -0.027 0.000 0.994 558 D CA 1.038 55.024 54.000 -0.024 0.000 0.890 558 D CB -0.111 40.677 40.800 -0.019 0.000 0.906 558 D HN 0.629 nan 8.370 nan 0.000 0.530 559 G N 1.096 109.874 108.800 -0.038 0.000 2.345 559 G HA2 -0.298 3.659 3.960 -0.005 0.000 0.218 559 G HA3 -0.298 3.659 3.960 -0.005 0.000 0.218 559 G C 0.723 175.587 174.900 -0.061 0.000 1.058 559 G CA 0.340 45.413 45.100 -0.046 0.000 0.632 559 G HN 0.649 nan 8.290 nan 0.000 0.508 560 T N 0.298 114.822 114.554 -0.050 0.000 2.813 560 T HA 0.524 4.871 4.350 -0.005 0.000 0.297 560 T C 0.277 174.922 174.700 -0.092 0.000 1.036 560 T CA 0.860 62.922 62.100 -0.064 0.000 1.044 560 T CB 1.471 70.321 68.868 -0.030 0.000 0.993 560 T HN 0.546 nan 8.240 nan 0.000 0.535 561 T N 2.943 117.404 114.554 -0.155 0.000 2.799 561 T HA 0.518 4.865 4.350 -0.005 0.000 0.286 561 T C 0.224 174.873 174.700 -0.085 0.000 0.973 561 T CA -0.966 61.025 62.100 -0.183 0.000 1.035 561 T CB 0.835 69.453 68.868 -0.418 0.000 0.932 561 T HN 0.422 nan 8.240 nan 0.000 0.469 562 R N 1.837 122.330 120.500 -0.012 0.000 2.607 562 R HA 0.667 5.004 4.340 -0.005 0.000 0.261 562 R C -0.688 175.641 176.300 0.049 0.000 1.051 562 R CA -1.075 55.047 56.100 0.036 0.000 1.110 562 R CB 0.674 31.009 30.300 0.058 0.000 1.158 562 R HN 0.547 nan 8.270 nan 0.000 0.543 563 L N 1.145 122.385 121.223 0.029 0.000 2.441 563 L HA 0.409 4.746 4.340 -0.005 0.000 0.270 563 L C -0.279 176.531 176.870 -0.100 0.000 0.973 563 L CA -0.180 54.626 54.840 -0.056 0.000 0.842 563 L CB 2.030 44.048 42.059 -0.067 0.000 1.239 563 L HN 0.465 nan 8.230 nan 0.000 0.406 564 E N 1.751 121.881 120.200 -0.117 0.000 2.378 564 E HA 0.616 4.963 4.350 -0.005 0.000 0.265 564 E C -1.723 174.702 176.600 -0.290 0.000 0.932 564 E CA -0.801 55.549 56.400 -0.083 0.000 0.795 564 E CB 2.696 32.420 29.700 0.040 0.000 1.296 564 E HN 0.273 nan 8.360 nan 0.000 0.438 565 Y N -0.290 120.081 120.300 0.119 0.000 2.605 565 Y HA 0.501 5.048 4.550 -0.005 0.000 0.343 565 Y C -0.171 175.799 175.900 0.116 0.000 1.036 565 Y CA -0.668 57.499 58.100 0.113 0.000 1.065 565 Y CB 2.365 40.860 38.460 0.059 0.000 1.288 565 Y HN 0.533 nan 8.280 nan 0.000 0.481 566 S N -0.474 115.413 115.700 0.311 0.000 2.556 566 S HA 0.451 4.918 4.470 -0.005 0.000 0.271 566 S C -1.730 172.993 174.600 0.204 0.000 1.135 566 S CA -1.171 57.173 58.200 0.240 0.000 0.858 566 S CB 1.979 65.330 63.200 0.251 0.000 1.114 566 S HN 0.486 nan 8.310 nan 0.000 0.468 567 D N 0.933 121.428 120.400 0.159 0.000 2.382 567 D HA 0.377 5.014 4.640 -0.005 0.000 0.240 567 D C -0.325 176.060 176.300 0.141 0.000 1.146 567 D CA 0.062 54.127 54.000 0.107 0.000 0.897 567 D CB 1.312 42.164 40.800 0.087 0.000 1.197 567 D HN 0.412 nan 8.370 nan 0.000 0.432 568 V N 2.382 122.322 119.914 0.044 0.000 2.394 568 V HA 0.140 4.257 4.120 -0.005 0.000 0.282 568 V C 0.318 176.487 176.094 0.125 0.000 1.031 568 V CA -0.841 61.501 62.300 0.070 0.000 0.881 568 V CB 1.565 33.337 31.823 -0.084 0.000 0.982 568 V HN 0.360 nan 8.190 nan 0.000 0.451 569 K N 4.747 125.248 120.400 0.168 0.000 2.322 569 K HA 0.505 4.822 4.320 -0.005 0.000 0.283 569 K C -1.091 175.594 176.600 0.143 0.000 1.042 569 K CA 0.250 56.618 56.287 0.135 0.000 0.958 569 K CB 0.540 33.115 32.500 0.125 0.000 0.984 569 K HN 0.506 nan 8.250 nan 0.000 0.473 570 I N 3.643 124.294 120.570 0.135 0.000 2.530 570 I HA 0.298 4.465 4.170 -0.005 0.000 0.297 570 I C 0.630 176.839 176.117 0.154 0.000 1.011 570 I CA -0.149 61.247 61.300 0.160 0.000 1.107 570 I CB 2.365 40.462 38.000 0.163 0.000 1.285 570 I HN 0.826 nan 8.210 nan 0.000 0.436 571 T N 1.469 116.139 114.554 0.193 0.000 3.499 571 T HA 0.090 4.437 4.350 -0.005 0.000 0.227 571 T C 1.080 175.885 174.700 0.175 0.000 0.946 571 T CA 0.645 62.848 62.100 0.171 0.000 1.368 571 T CB 0.299 69.268 68.868 0.168 0.000 1.227 571 T HN 0.654 nan 8.240 nan 0.000 0.398 572 T N 0.868 115.568 114.554 0.242 0.000 2.975 572 T HA 0.411 4.758 4.350 -0.005 0.000 0.261 572 T C -0.565 174.285 174.700 0.249 0.000 0.984 572 T CA -0.183 62.049 62.100 0.220 0.000 0.911 572 T CB 0.434 69.429 68.868 0.211 0.000 1.127 572 T HN -0.037 nan 8.240 nan 0.000 0.514 573 L N 4.235 125.633 121.223 0.291 0.000 2.298 573 L HA 0.545 4.883 4.340 -0.005 0.000 0.284 573 L C -2.756 174.354 176.870 0.401 0.000 1.013 573 L CA -2.367 52.668 54.840 0.325 0.000 0.824 573 L CB 1.232 43.443 42.059 0.254 0.000 1.221 573 L HN -0.175 nan 8.230 nan 0.000 0.418 574 P HA 0.416 nan 4.420 nan 0.000 0.286 574 P C -2.676 174.664 177.300 0.067 0.000 1.261 574 P CA -2.208 61.022 63.100 0.216 0.000 0.821 574 P CB 0.345 32.111 31.700 0.110 0.000 1.013 575 P HA 0.187 nan 4.420 nan 0.000 0.235 575 P C -1.949 175.046 177.300 -0.509 0.000 1.720 575 P CA 0.596 63.257 63.100 -0.732 0.000 1.003 575 P CB -0.237 31.252 31.700 -0.351 0.000 1.968 576 A N 0.000 122.561 122.820 -0.431 0.000 2.254 576 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 576 A CA 0.000 51.892 52.037 -0.241 0.000 0.836 576 A CB 0.000 18.934 19.000 -0.109 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486