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 3n05_1_B DATA FIRST_RESID 0 DATA SEQUENCE SLQLRLALNQ IDSTVGDIAG NAEAILRWTR HSAEQGAHLV AFPEMALTGY DATA SEQUENCE PVEDLALRSS FVEASRTALR ELAARLAEEG FGELPVLVGY LDRSESAQPK DATA SEQUENCE YGQPAGAPRN AAAVLHRGRV ALTFAKHHLP NYGVFDEFRY FVPGDTMPIV DATA SEQUENCE RLHGVDIALA ICEDLWQDGG RVPAARSAGA GLLLSVNASP YERDKDDTRL DATA SEQUENCE ELVRKRAQEA GCTTAYLAMI GGQDELVFDG DSIVVDRDGE VVARAPQFSE DATA SEQUENCE GCVVLDLDLP AAEAEPPTGV VDDGLRIDRL VISEEPLPAY EAELAGGYAD DATA SEQUENCE RLDADEEVYS ALVVGLRAYV AKNGFRSVLI GLSGGIDSAL VAAIACDALG DATA SEQUENCE AQNVYGVSMP SKYSSDHSKG DAAELARRTG LNFRTVSIEP MFDAYMASLG DATA SEQUENCE LTGLAEENLQ SRLRGTTLMA ISNQEGHIVL APGNKSELAV GYSXXXXXSV DATA SEQUENCE GAYGPIKDVY KTSIFRLAEW RNRAAAERGQ TPPIPEASIT KXXXXXXXXX DATA SEQUENCE XXXXXXXPDY PVLDAILELY VDRDTGADAI VAAGYDRELV VKTLRMVDTA DATA SEQUENCE EYKRRQYPPG TKISAKGFGK DRRLPITNRW REGH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.604 174.600 0.007 0.000 1.055 0 S CA 0.000 58.203 58.200 0.006 0.000 1.107 0 S CB 0.000 63.203 63.200 0.005 0.000 0.593 1 L N 2.824 124.052 121.223 0.009 0.000 2.454 1 L HA 0.613 4.953 4.340 -0.001 0.000 0.256 1 L C 0.456 177.333 176.870 0.011 0.000 1.136 1 L CA -0.657 54.190 54.840 0.011 0.000 0.804 1 L CB 1.128 43.197 42.059 0.016 0.000 1.181 1 L HN 0.877 nan 8.230 nan 0.000 0.469 2 Q N 2.098 121.904 119.800 0.009 0.000 2.365 2 Q HA 0.761 5.101 4.340 -0.001 0.000 0.269 2 Q C -1.418 174.580 176.000 -0.004 0.000 1.061 2 Q CA -0.916 54.893 55.803 0.011 0.000 0.816 2 Q CB 2.459 31.201 28.738 0.006 0.000 1.325 2 Q HN 0.542 nan 8.270 nan 0.000 0.446 3 L N -1.661 119.578 121.223 0.026 0.000 2.465 3 L HA 0.699 5.038 4.340 -0.001 0.000 0.257 3 L C -1.048 175.924 176.870 0.171 0.000 0.988 3 L CA -1.249 53.610 54.840 0.032 0.000 0.827 3 L CB 2.384 44.496 42.059 0.088 0.000 1.397 3 L HN 0.693 nan 8.230 nan 0.000 0.410 4 R N 1.795 122.536 120.500 0.401 0.000 2.221 4 R HA 0.671 5.011 4.340 -0.001 0.000 0.327 4 R C -1.373 175.062 176.300 0.226 0.000 1.033 4 R CA -0.590 55.700 56.100 0.317 0.000 0.887 4 R CB 1.236 31.746 30.300 0.350 0.000 1.057 4 R HN 0.734 nan 8.270 nan 0.000 0.455 5 L N 4.260 125.561 121.223 0.131 0.000 2.305 5 L HA 0.583 4.922 4.340 -0.001 0.000 0.284 5 L C -1.126 175.773 176.870 0.047 0.000 1.013 5 L CA -0.192 54.698 54.840 0.083 0.000 0.819 5 L CB 1.720 43.815 42.059 0.060 0.000 1.227 5 L HN 0.755 nan 8.230 nan 0.000 0.417 6 A N 6.884 129.718 122.820 0.024 0.000 2.280 6 A HA 0.636 4.956 4.320 -0.001 0.000 0.320 6 A C -0.826 176.702 177.584 -0.092 0.000 1.366 6 A CA -0.473 51.558 52.037 -0.011 0.000 0.938 6 A CB -0.090 18.912 19.000 0.004 0.000 1.157 6 A HN 0.729 nan 8.150 nan 0.000 0.536 7 L N 3.026 124.189 121.223 -0.100 0.000 2.264 7 L HA 0.334 4.674 4.340 -0.001 0.000 0.289 7 L C -0.374 176.337 176.870 -0.265 0.000 1.044 7 L CA -0.655 54.080 54.840 -0.175 0.000 0.807 7 L CB 0.990 42.986 42.059 -0.106 0.000 1.192 7 L HN 0.565 nan 8.230 nan 0.000 0.425 8 N N 3.400 121.808 118.700 -0.487 0.000 2.609 8 N HA 0.090 4.830 4.740 -0.001 0.000 0.234 8 N C -0.475 174.666 175.510 -0.614 0.000 1.001 8 N CA -0.219 52.423 53.050 -0.681 0.000 0.926 8 N CB 1.544 39.357 38.487 -1.124 0.000 1.130 8 N HN 0.555 nan 8.380 nan 0.000 0.510 9 Q N 3.516 123.025 119.800 -0.485 0.000 2.664 9 Q HA 0.213 4.552 4.340 -0.001 0.000 0.223 9 Q C -0.065 175.682 176.000 -0.423 0.000 1.298 9 Q CA -0.259 55.340 55.803 -0.340 0.000 0.965 9 Q CB -0.294 28.326 28.738 -0.196 0.000 1.510 9 Q HN 0.647 nan 8.270 nan 0.000 0.567 10 I N -1.705 118.607 120.570 -0.431 0.000 3.076 10 I HA 0.624 4.794 4.170 -0.001 0.000 0.313 10 I C -0.521 175.509 176.117 -0.145 0.000 1.053 10 I CA -1.143 59.922 61.300 -0.392 0.000 1.048 10 I CB 1.665 39.367 38.000 -0.497 0.000 1.264 10 I HN 0.111 nan 8.210 nan 0.000 0.498 11 D N 1.888 122.258 120.400 -0.050 0.000 2.440 11 D HA 0.414 5.053 4.640 -0.001 0.000 0.239 11 D C -1.017 175.303 176.300 0.033 0.000 1.084 11 D CA -0.094 53.919 54.000 0.022 0.000 0.843 11 D CB 1.686 42.531 40.800 0.076 0.000 1.097 11 D HN 0.620 nan 8.370 nan 0.000 0.531 12 S N 1.626 117.337 115.700 0.018 0.000 2.646 12 S HA 0.612 5.082 4.470 -0.001 0.000 0.276 12 S C -0.211 174.425 174.600 0.060 0.000 1.222 12 S CA -0.543 57.674 58.200 0.029 0.000 1.014 12 S CB 1.387 64.588 63.200 0.002 0.000 0.991 12 S HN 0.455 nan 8.310 nan 0.000 0.533 13 T N 1.673 116.264 114.554 0.063 0.000 2.807 13 T HA 0.341 4.690 4.350 -0.001 0.000 0.279 13 T C -0.289 174.459 174.700 0.081 0.000 0.993 13 T CA -0.498 61.645 62.100 0.072 0.000 0.970 13 T CB 1.181 70.086 68.868 0.062 0.000 0.950 13 T HN 0.325 nan 8.240 nan 0.000 0.441 14 V N 3.730 123.695 119.914 0.085 0.000 2.458 14 V HA 0.370 4.489 4.120 -0.001 0.000 0.287 14 V C 1.554 177.703 176.094 0.092 0.000 1.009 14 V CA 1.721 64.076 62.300 0.091 0.000 1.091 14 V CB 0.017 31.875 31.823 0.058 0.000 0.960 14 V HN 1.289 nan 8.190 nan 0.000 0.476 15 G N 4.748 113.660 108.800 0.186 0.000 2.268 15 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.240 15 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.240 15 G C 0.413 175.429 174.900 0.194 0.000 1.010 15 G CA 0.182 45.430 45.100 0.246 0.000 0.618 15 G HN 0.720 nan 8.290 nan 0.000 0.516 16 D N 1.287 121.758 120.400 0.118 0.000 2.801 16 D HA 0.405 5.045 4.640 -0.001 0.000 0.232 16 D C 1.988 178.321 176.300 0.055 0.000 1.128 16 D CA -0.304 53.741 54.000 0.074 0.000 1.003 16 D CB -0.747 40.086 40.800 0.055 0.000 1.110 16 D HN 0.451 nan 8.370 nan 0.000 0.477 17 I N 0.634 121.235 120.570 0.053 0.000 2.179 17 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 17 I C 2.359 178.466 176.117 -0.018 0.000 1.088 17 I CA 0.940 62.239 61.300 -0.001 0.000 1.357 17 I CB -0.224 37.745 38.000 -0.051 0.000 1.051 17 I HN 0.253 nan 8.210 nan 0.000 0.409 18 A N 1.167 123.983 122.820 -0.007 0.000 1.883 18 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 18 A C 2.448 180.029 177.584 -0.005 0.000 1.186 18 A CA 2.104 54.134 52.037 -0.011 0.000 0.624 18 A CB -1.487 17.511 19.000 -0.003 0.000 0.822 18 A HN 0.472 nan 8.150 nan 0.000 0.444 19 G N -0.353 108.453 108.800 0.009 0.000 2.408 19 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.217 19 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.217 19 G C 1.387 176.297 174.900 0.017 0.000 1.150 19 G CA 1.050 46.162 45.100 0.019 0.000 0.776 19 G HN 0.529 nan 8.290 nan 0.000 0.542 20 N N 1.316 120.019 118.700 0.005 0.000 2.142 20 N HA -0.047 4.692 4.740 -0.001 0.000 0.186 20 N C 2.457 177.932 175.510 -0.059 0.000 1.023 20 N CA 1.268 54.308 53.050 -0.016 0.000 0.852 20 N CB -0.534 37.939 38.487 -0.023 0.000 0.998 20 N HN 0.298 nan 8.380 nan 0.000 0.424 21 A N 0.748 123.529 122.820 -0.066 0.000 1.969 21 A HA -0.113 4.206 4.320 -0.001 0.000 0.218 21 A C 2.191 179.740 177.584 -0.059 0.000 1.169 21 A CA 1.379 53.361 52.037 -0.092 0.000 0.635 21 A CB -0.436 18.516 19.000 -0.080 0.000 0.810 21 A HN 0.229 nan 8.150 nan 0.000 0.445 22 E N -0.067 120.122 120.200 -0.019 0.000 2.077 22 E HA -0.046 4.303 4.350 -0.001 0.000 0.193 22 E C 2.086 178.709 176.600 0.038 0.000 0.989 22 E CA 1.369 57.774 56.400 0.008 0.000 0.800 22 E CB -0.304 29.407 29.700 0.018 0.000 0.746 22 E HN 0.534 nan 8.360 nan 0.000 0.452 23 A N -0.076 122.781 122.820 0.061 0.000 1.968 23 A HA -0.052 4.267 4.320 -0.001 0.000 0.217 23 A C 2.141 179.865 177.584 0.234 0.000 1.169 23 A CA 0.826 52.966 52.037 0.172 0.000 0.638 23 A CB -0.415 18.701 19.000 0.194 0.000 0.812 23 A HN 0.271 nan 8.150 nan 0.000 0.446 24 I N -0.961 119.601 120.570 -0.012 0.000 2.439 24 I HA -0.185 3.985 4.170 -0.001 0.000 0.251 24 I C 2.338 178.412 176.117 -0.072 0.000 1.139 24 I CA 0.696 61.819 61.300 -0.294 0.000 1.438 24 I CB -0.118 37.448 38.000 -0.724 0.000 1.085 24 I HN 0.333 nan 8.210 nan 0.000 0.427 25 L N 1.015 122.218 121.223 -0.032 0.000 2.027 25 L HA -0.197 4.143 4.340 -0.001 0.000 0.206 25 L C 2.710 179.605 176.870 0.042 0.000 1.074 25 L CA 1.768 56.608 54.840 -0.001 0.000 0.745 25 L CB -0.546 41.519 42.059 0.010 0.000 0.898 25 L HN 0.119 nan 8.230 nan 0.000 0.433 26 R N -1.662 118.883 120.500 0.075 0.000 2.096 26 R HA -0.237 4.102 4.340 -0.001 0.000 0.235 26 R C 2.120 178.439 176.300 0.031 0.000 1.127 26 R CA 2.053 58.172 56.100 0.032 0.000 0.968 26 R CB -0.668 29.627 30.300 -0.009 0.000 0.861 26 R HN 0.449 nan 8.270 nan 0.000 0.440 27 W N 0.421 121.785 121.300 0.107 0.000 2.467 27 W HA 0.007 4.666 4.660 -0.001 0.000 0.275 27 W C 2.225 178.836 176.519 0.153 0.000 1.239 27 W CA 1.392 58.833 57.345 0.161 0.000 1.266 27 W CB -0.027 29.607 29.460 0.289 0.000 1.112 27 W HN 0.093 nan 8.180 nan 0.000 0.576 28 T N -0.411 114.333 114.554 0.317 0.000 2.857 28 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 28 T C 1.966 176.519 174.700 -0.245 0.000 1.048 28 T CA 0.728 62.856 62.100 0.048 0.000 1.139 28 T CB -0.163 68.661 68.868 -0.072 0.000 0.874 28 T HN -0.043 nan 8.240 nan 0.000 0.455 29 R N 0.732 121.081 120.500 -0.250 0.000 2.094 29 R HA -0.121 4.219 4.340 -0.001 0.000 0.239 29 R C 2.295 178.578 176.300 -0.028 0.000 1.137 29 R CA 1.439 57.435 56.100 -0.172 0.000 0.943 29 R CB -0.918 29.390 30.300 0.013 0.000 0.850 29 R HN 0.517 nan 8.270 nan 0.000 0.433 30 H N 0.006 119.030 119.070 -0.077 0.000 2.491 30 H HA 0.046 4.601 4.556 -0.001 0.000 0.290 30 H C 1.633 176.952 175.328 -0.015 0.000 1.050 30 H CA 1.237 57.243 56.048 -0.069 0.000 1.309 30 H CB 0.506 30.159 29.762 -0.181 0.000 1.392 30 H HN 0.082 nan 8.280 nan 0.000 0.554 31 S N -0.278 115.490 115.700 0.113 0.000 2.388 31 S HA 0.033 4.502 4.470 -0.001 0.000 0.223 31 S C 2.361 176.963 174.600 0.003 0.000 1.034 31 S CA 0.620 58.867 58.200 0.077 0.000 0.963 31 S CB -0.044 63.200 63.200 0.075 0.000 0.827 31 S HN 0.567 nan 8.310 nan 0.000 0.481 32 A N 1.448 124.253 122.820 -0.026 0.000 1.968 32 A HA -0.026 4.294 4.320 -0.001 0.000 0.217 32 A C 1.839 179.446 177.584 0.038 0.000 1.169 32 A CA 1.108 53.160 52.037 0.026 0.000 0.638 32 A CB -0.434 18.628 19.000 0.104 0.000 0.812 32 A HN 0.494 nan 8.150 nan 0.000 0.446 33 E N -0.264 119.939 120.200 0.005 0.000 2.268 33 E HA -0.153 4.197 4.350 -0.001 0.000 0.195 33 E C 1.352 177.910 176.600 -0.070 0.000 0.995 33 E CA 0.877 57.257 56.400 -0.033 0.000 0.836 33 E CB -0.064 29.586 29.700 -0.083 0.000 0.763 33 E HN 0.694 nan 8.360 nan 0.000 0.491 34 Q N -0.414 119.337 119.800 -0.081 0.000 2.247 34 Q HA 0.132 4.472 4.340 -0.001 0.000 0.205 34 Q C 0.228 176.221 176.000 -0.012 0.000 0.896 34 Q CA 0.165 55.938 55.803 -0.050 0.000 0.950 34 Q CB 0.931 29.641 28.738 -0.047 0.000 1.054 34 Q HN 0.298 nan 8.270 nan 0.000 0.482 35 G N 1.115 109.900 108.800 -0.025 0.000 2.314 35 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.292 35 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.292 35 G C 0.030 174.849 174.900 -0.135 0.000 1.059 35 G CA 0.183 45.247 45.100 -0.059 0.000 0.982 35 G HN 0.486 nan 8.290 nan 0.000 0.505 36 A N -0.951 121.802 122.820 -0.110 0.000 2.302 36 A HA 0.785 5.105 4.320 -0.001 0.000 0.285 36 A C 0.705 178.166 177.584 -0.205 0.000 1.105 36 A CA 0.356 52.341 52.037 -0.087 0.000 0.816 36 A CB 0.653 19.658 19.000 0.007 0.000 1.067 36 A HN 0.625 nan 8.150 nan 0.000 0.489 37 H N -0.419 118.732 119.070 0.135 0.000 2.729 37 H HA 0.384 4.939 4.556 -0.001 0.000 0.263 37 H C -0.554 174.855 175.328 0.136 0.000 0.961 37 H CA 0.249 56.412 56.048 0.191 0.000 1.217 37 H CB 0.695 30.627 29.762 0.282 0.000 1.447 37 H HN 0.357 nan 8.280 nan 0.000 0.496 38 L N 1.052 122.384 121.223 0.183 0.000 2.464 38 L HA 0.481 4.820 4.340 -0.001 0.000 0.266 38 L C -1.589 175.319 176.870 0.064 0.000 0.965 38 L CA -0.935 53.967 54.840 0.104 0.000 0.833 38 L CB 1.996 44.103 42.059 0.080 0.000 1.296 38 L HN -0.191 nan 8.230 nan 0.000 0.405 39 V N 4.268 124.217 119.914 0.058 0.000 2.409 39 V HA 0.917 5.037 4.120 -0.001 0.000 0.291 39 V C 0.164 176.269 176.094 0.018 0.000 1.020 39 V CA -0.301 62.010 62.300 0.018 0.000 0.848 39 V CB 1.109 32.976 31.823 0.073 0.000 0.990 39 V HN 0.952 nan 8.190 nan 0.000 0.430 40 A N 4.649 127.404 122.820 -0.107 0.000 2.340 40 A HA 0.975 5.295 4.320 -0.001 0.000 0.331 40 A C -1.210 176.190 177.584 -0.306 0.000 1.140 40 A CA -0.383 51.608 52.037 -0.077 0.000 0.801 40 A CB 1.149 20.113 19.000 -0.060 0.000 1.234 40 A HN 0.602 nan 8.150 nan 0.000 0.469 41 F N 0.469 120.373 119.950 -0.078 0.000 2.631 41 F HA 0.636 5.162 4.527 -0.001 0.000 0.328 41 F C -2.127 173.586 175.800 -0.145 0.000 1.067 41 F CA -1.973 55.951 58.000 -0.126 0.000 0.969 41 F CB 2.137 41.070 39.000 -0.112 0.000 1.332 41 F HN 0.321 nan 8.300 nan 0.000 0.490 42 P HA 0.077 nan 4.420 nan 0.000 0.279 42 P C -1.143 176.067 177.300 -0.150 0.000 1.282 42 P CA -0.594 62.433 63.100 -0.121 0.000 0.788 42 P CB 0.384 31.980 31.700 -0.173 0.000 1.139 43 E N 0.965 121.007 120.200 -0.264 0.000 2.480 43 E HA 0.006 4.355 4.350 -0.001 0.000 0.258 43 E C -0.063 176.323 176.600 -0.357 0.000 0.984 43 E CA -0.021 56.172 56.400 -0.345 0.000 0.930 43 E CB -0.297 29.102 29.700 -0.502 0.000 0.936 43 E HN 0.337 nan 8.360 nan 0.000 0.466 44 M N 3.446 122.896 119.600 -0.250 0.000 2.653 44 M HA -0.310 4.170 4.480 -0.001 0.000 0.203 44 M C 0.440 176.692 176.300 -0.079 0.000 0.502 44 M CA 1.025 56.238 55.300 -0.145 0.000 0.601 44 M CB -1.177 31.348 32.600 -0.126 0.000 2.228 44 M HN 0.663 nan 8.290 nan 0.000 0.711 45 A N -0.576 122.195 122.820 -0.081 0.000 1.930 45 A HA -0.030 4.290 4.320 -0.001 0.000 0.217 45 A C 1.579 179.128 177.584 -0.058 0.000 1.175 45 A CA 1.583 53.580 52.037 -0.068 0.000 0.627 45 A CB -0.289 18.684 19.000 -0.044 0.000 0.815 45 A HN 0.717 nan 8.150 nan 0.000 0.443 46 L N -0.979 120.212 121.223 -0.054 0.000 2.265 46 L HA -0.031 4.309 4.340 -0.001 0.000 0.215 46 L C 2.034 178.891 176.870 -0.021 0.000 1.117 46 L CA 2.459 57.264 54.840 -0.058 0.000 0.782 46 L CB -0.423 41.605 42.059 -0.051 0.000 0.914 46 L HN 0.313 nan 8.230 nan 0.000 0.441 47 T N -1.232 113.334 114.554 0.020 0.000 2.964 47 T HA 0.509 4.859 4.350 -0.001 0.000 0.249 47 T C 0.509 175.303 174.700 0.157 0.000 1.000 47 T CA 0.462 62.616 62.100 0.090 0.000 0.992 47 T CB 0.156 69.076 68.868 0.087 0.000 1.087 47 T HN 0.600 nan 8.240 nan 0.000 0.489 48 G N 0.547 109.404 108.800 0.096 0.000 2.712 48 G HA2 0.009 3.969 3.960 -0.001 0.000 0.683 48 G HA3 0.009 3.969 3.960 -0.001 0.000 0.683 48 G C -1.371 173.619 174.900 0.149 0.000 1.320 48 G CA -0.642 44.518 45.100 0.098 0.000 0.847 48 G HN 0.383 nan 8.290 nan 0.000 0.553 49 Y N 0.402 120.664 120.300 -0.063 0.000 2.480 49 Y HA 0.584 5.134 4.550 -0.001 0.000 0.329 49 Y C -2.424 173.526 175.900 0.084 0.000 1.127 49 Y CA -1.489 56.544 58.100 -0.112 0.000 1.037 49 Y CB 2.683 40.939 38.460 -0.339 0.000 1.320 49 Y HN 0.626 nan 8.280 nan 0.000 0.446 50 P HA 0.221 nan 4.420 nan 0.000 0.290 50 P C 0.371 177.501 177.300 -0.284 0.000 1.276 50 P CA -0.383 62.236 63.100 -0.802 0.000 0.808 50 P CB 1.706 32.941 31.700 -0.774 0.000 0.966 51 V N -0.600 119.188 119.914 -0.211 0.000 3.461 51 V HA -0.040 4.079 4.120 -0.001 0.000 0.267 51 V C 0.825 176.841 176.094 -0.130 0.000 1.186 51 V CA 0.616 62.848 62.300 -0.114 0.000 1.154 51 V CB -1.502 30.309 31.823 -0.019 0.000 0.802 51 V HN 0.632 nan 8.190 nan 0.000 0.474 52 E N 0.385 120.527 120.200 -0.097 0.000 3.289 52 E HA -0.410 3.939 4.350 -0.001 0.000 0.386 52 E C 0.770 177.331 176.600 -0.065 0.000 1.526 52 E CA 1.954 58.325 56.400 -0.049 0.000 1.519 52 E CB -1.539 28.135 29.700 -0.042 0.000 1.657 52 E HN 0.569 nan 8.360 nan 0.000 0.479 53 D N 0.521 120.859 120.400 -0.104 0.000 2.371 53 D HA 0.033 4.673 4.640 -0.001 0.000 0.221 53 D C 1.791 177.983 176.300 -0.180 0.000 0.986 53 D CA 0.456 54.365 54.000 -0.152 0.000 0.899 53 D CB -0.035 40.684 40.800 -0.136 0.000 0.902 53 D HN 0.209 nan 8.370 nan 0.000 0.530 54 L N -0.051 121.028 121.223 -0.239 0.000 2.191 54 L HA -0.131 4.209 4.340 -0.001 0.000 0.212 54 L C 2.369 179.156 176.870 -0.137 0.000 1.103 54 L CA 0.789 55.398 54.840 -0.386 0.000 0.769 54 L CB -0.377 41.121 42.059 -0.935 0.000 0.908 54 L HN 0.055 nan 8.230 nan 0.000 0.438 55 A N 0.069 122.865 122.820 -0.041 0.000 2.024 55 A HA -0.127 4.193 4.320 -0.001 0.000 0.220 55 A C 2.095 179.614 177.584 -0.108 0.000 1.164 55 A CA 1.279 53.335 52.037 0.032 0.000 0.643 55 A CB -0.534 18.531 19.000 0.109 0.000 0.806 55 A HN 0.443 nan 8.150 nan 0.000 0.451 56 L N -0.995 120.133 121.223 -0.159 0.000 2.591 56 L HA 0.101 4.440 4.340 -0.001 0.000 0.228 56 L C 0.543 177.346 176.870 -0.111 0.000 1.133 56 L CA -0.063 54.660 54.840 -0.196 0.000 0.880 56 L CB -0.096 41.790 42.059 -0.288 0.000 1.033 56 L HN 0.214 nan 8.230 nan 0.000 0.450 57 R N -0.726 119.747 120.500 -0.046 0.000 2.255 57 R HA 0.238 4.577 4.340 -0.001 0.000 0.326 57 R C 1.075 177.395 176.300 0.033 0.000 0.986 57 R CA -0.268 55.830 56.100 -0.003 0.000 0.847 57 R CB 1.734 32.047 30.300 0.021 0.000 1.111 57 R HN -0.103 nan 8.270 nan 0.000 0.452 58 S N 1.298 116.999 115.700 0.002 0.000 2.374 58 S HA -0.218 4.251 4.470 -0.001 0.000 0.227 58 S C 1.975 176.587 174.600 0.019 0.000 1.037 58 S CA 2.222 60.422 58.200 -0.000 0.000 1.024 58 S CB -0.022 63.172 63.200 -0.011 0.000 0.861 58 S HN 0.811 nan 8.310 nan 0.000 0.456 59 S N 0.859 116.582 115.700 0.039 0.000 2.353 59 S HA -0.157 4.313 4.470 -0.001 0.000 0.222 59 S C 1.687 176.340 174.600 0.088 0.000 1.035 59 S CA 1.319 59.550 58.200 0.052 0.000 1.025 59 S CB -1.024 62.209 63.200 0.055 0.000 0.902 59 S HN 0.555 nan 8.310 nan 0.000 0.440 60 F N 2.346 122.277 119.950 -0.031 0.000 2.102 60 F HA -0.074 4.452 4.527 -0.001 0.000 0.298 60 F C 2.359 178.145 175.800 -0.022 0.000 1.105 60 F CA 1.443 59.428 58.000 -0.026 0.000 1.239 60 F CB -0.253 38.727 39.000 -0.032 0.000 0.991 60 F HN 0.044 nan 8.300 nan 0.000 0.474 61 V N 0.185 120.096 119.914 -0.005 0.000 2.343 61 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 61 V C 2.264 178.296 176.094 -0.104 0.000 1.051 61 V CA 1.952 64.196 62.300 -0.093 0.000 1.036 61 V CB -0.633 31.162 31.823 -0.048 0.000 0.654 61 V HN 0.288 nan 8.190 nan 0.000 0.451 62 E N 0.328 120.489 120.200 -0.066 0.000 2.150 62 E HA -0.094 4.255 4.350 -0.001 0.000 0.193 62 E C 2.321 178.871 176.600 -0.082 0.000 0.985 62 E CA 1.351 57.718 56.400 -0.056 0.000 0.814 62 E CB -0.478 29.203 29.700 -0.032 0.000 0.752 62 E HN 0.579 nan 8.360 nan 0.000 0.466 63 A N 0.677 123.424 122.820 -0.121 0.000 1.969 63 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 63 A C 2.391 179.858 177.584 -0.194 0.000 1.169 63 A CA 1.712 53.664 52.037 -0.142 0.000 0.635 63 A CB -0.424 18.494 19.000 -0.136 0.000 0.810 63 A HN 0.240 nan 8.150 nan 0.000 0.445 64 S N -0.412 115.124 115.700 -0.273 0.000 2.345 64 S HA -0.160 4.309 4.470 -0.001 0.000 0.220 64 S C 2.195 176.762 174.600 -0.054 0.000 1.031 64 S CA 1.378 59.456 58.200 -0.204 0.000 0.996 64 S CB -0.293 62.764 63.200 -0.238 0.000 0.882 64 S HN 0.624 nan 8.310 nan 0.000 0.445 65 R N 0.027 120.520 120.500 -0.012 0.000 2.096 65 R HA -0.028 4.311 4.340 -0.001 0.000 0.235 65 R C 2.464 178.720 176.300 -0.074 0.000 1.127 65 R CA 1.896 57.998 56.100 0.004 0.000 0.968 65 R CB -0.791 29.528 30.300 0.032 0.000 0.861 65 R HN 0.404 nan 8.270 nan 0.000 0.440 66 T N 0.677 115.189 114.554 -0.071 0.000 2.777 66 T HA -0.070 4.279 4.350 -0.001 0.000 0.266 66 T C 1.954 176.603 174.700 -0.085 0.000 1.040 66 T CA 1.270 63.329 62.100 -0.070 0.000 1.141 66 T CB -0.180 68.654 68.868 -0.056 0.000 0.868 66 T HN 0.357 nan 8.240 nan 0.000 0.444 67 A N 1.090 123.852 122.820 -0.097 0.000 1.972 67 A HA 0.029 4.348 4.320 -0.001 0.000 0.219 67 A C 2.225 179.731 177.584 -0.131 0.000 1.169 67 A CA 1.071 53.047 52.037 -0.102 0.000 0.635 67 A CB -0.747 18.190 19.000 -0.104 0.000 0.810 67 A HN 0.402 nan 8.150 nan 0.000 0.446 68 L N -0.356 120.759 121.223 -0.180 0.000 2.046 68 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 68 L C 2.528 179.279 176.870 -0.198 0.000 1.077 68 L CA 1.816 56.498 54.840 -0.263 0.000 0.747 68 L CB -0.371 41.384 42.059 -0.507 0.000 0.896 68 L HN 0.319 nan 8.230 nan 0.000 0.432 69 R N -0.609 119.798 120.500 -0.155 0.000 2.092 69 R HA -0.137 4.203 4.340 -0.001 0.000 0.231 69 R C 2.136 178.389 176.300 -0.078 0.000 1.119 69 R CA 1.616 57.653 56.100 -0.105 0.000 0.970 69 R CB -0.279 29.973 30.300 -0.080 0.000 0.864 69 R HN 0.499 nan 8.270 nan 0.000 0.440 70 E N 0.381 120.535 120.200 -0.076 0.000 2.204 70 E HA -0.168 4.181 4.350 -0.001 0.000 0.194 70 E C 1.785 178.352 176.600 -0.055 0.000 0.989 70 E CA 0.588 56.954 56.400 -0.057 0.000 0.824 70 E CB 0.061 29.730 29.700 -0.053 0.000 0.756 70 E HN 0.107 nan 8.360 nan 0.000 0.477 71 L N 0.725 121.902 121.223 -0.077 0.000 2.023 71 L HA -0.006 4.334 4.340 -0.001 0.000 0.205 71 L C 2.200 179.039 176.870 -0.051 0.000 1.073 71 L CA 1.874 56.669 54.840 -0.074 0.000 0.745 71 L CB -0.664 41.324 42.059 -0.118 0.000 0.900 71 L HN -0.001 nan 8.230 nan 0.000 0.435 72 A N -0.061 122.722 122.820 -0.062 0.000 1.892 72 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 72 A C 2.434 180.010 177.584 -0.013 0.000 1.188 72 A CA 2.253 54.270 52.037 -0.034 0.000 0.631 72 A CB -1.370 17.602 19.000 -0.047 0.000 0.822 72 A HN 0.607 nan 8.150 nan 0.000 0.447 73 A N -0.773 122.033 122.820 -0.024 0.000 2.015 73 A HA -0.083 4.237 4.320 -0.001 0.000 0.219 73 A C 2.155 179.736 177.584 -0.004 0.000 1.163 73 A CA 1.907 53.934 52.037 -0.017 0.000 0.646 73 A CB -0.375 18.611 19.000 -0.024 0.000 0.806 73 A HN 0.524 nan 8.150 nan 0.000 0.448 74 R N -0.863 119.638 120.500 0.002 0.000 2.119 74 R HA 0.035 4.375 4.340 -0.001 0.000 0.222 74 R C 1.672 178.013 176.300 0.068 0.000 1.088 74 R CA 0.887 57.000 56.100 0.022 0.000 0.984 74 R CB -0.581 29.727 30.300 0.014 0.000 0.884 74 R HN 0.327 nan 8.270 nan 0.000 0.447 75 L N 0.446 121.720 121.223 0.085 0.000 1.990 75 L HA -0.133 4.207 4.340 -0.001 0.000 0.213 75 L C 2.310 179.289 176.870 0.181 0.000 1.072 75 L CA 2.387 57.338 54.840 0.185 0.000 0.755 75 L CB -1.068 41.074 42.059 0.138 0.000 0.889 75 L HN 0.366 nan 8.230 nan 0.000 0.432 76 A N -1.740 121.120 122.820 0.067 0.000 1.968 76 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 76 A C 2.295 179.858 177.584 -0.036 0.000 1.169 76 A CA 1.316 53.353 52.037 -0.000 0.000 0.638 76 A CB -0.489 18.494 19.000 -0.028 0.000 0.812 76 A HN 0.493 nan 8.150 nan 0.000 0.446 77 E N -0.721 119.470 120.200 -0.015 0.000 2.274 77 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 77 E C 1.421 177.995 176.600 -0.044 0.000 0.996 77 E CA 0.934 57.317 56.400 -0.028 0.000 0.840 77 E CB 0.065 29.758 29.700 -0.012 0.000 0.772 77 E HN 0.615 nan 8.360 nan 0.000 0.491 78 E N -0.928 119.256 120.200 -0.027 0.000 2.474 78 E HA 0.100 4.450 4.350 -0.001 0.000 0.195 78 E C 0.270 176.605 176.600 -0.442 0.000 1.039 78 E CA 0.576 56.928 56.400 -0.081 0.000 0.881 78 E CB 0.743 30.548 29.700 0.176 0.000 0.970 78 E HN 0.306 nan 8.360 nan 0.000 0.486 79 G N 0.275 108.852 108.800 -0.371 0.000 2.303 79 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.260 79 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.260 79 G C 0.070 174.558 174.900 -0.687 0.000 1.106 79 G CA 0.173 44.991 45.100 -0.471 0.000 0.900 79 G HN 0.306 nan 8.290 nan 0.000 0.495 80 F N -0.497 119.453 119.950 -0.001 0.000 2.772 80 F HA 0.346 4.872 4.527 -0.001 0.000 0.316 80 F C 2.176 177.980 175.800 0.007 0.000 1.114 80 F CA 0.083 58.093 58.000 0.016 0.000 1.191 80 F CB 0.670 39.693 39.000 0.037 0.000 1.065 80 F HN 0.257 nan 8.300 nan 0.000 0.534 81 G N 0.159 108.996 108.800 0.062 0.000 2.462 81 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.220 81 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.220 81 G C 1.578 176.387 174.900 -0.152 0.000 1.121 81 G CA 0.859 45.931 45.100 -0.047 0.000 0.758 81 G HN 0.156 nan 8.290 nan 0.000 0.559 82 E N -0.712 119.481 120.200 -0.011 0.000 2.285 82 E HA 0.044 4.394 4.350 -0.001 0.000 0.194 82 E C 0.618 177.409 176.600 0.320 0.000 0.997 82 E CA -0.117 56.340 56.400 0.095 0.000 0.845 82 E CB -0.034 29.733 29.700 0.111 0.000 0.782 82 E HN 0.359 nan 8.360 nan 0.000 0.491 83 L N 3.103 124.495 121.223 0.282 0.000 2.260 83 L HA 0.265 4.604 4.340 -0.001 0.000 0.289 83 L C -2.492 174.561 176.870 0.305 0.000 1.057 83 L CA -2.274 52.733 54.840 0.278 0.000 0.811 83 L CB 0.893 43.092 42.059 0.233 0.000 1.184 83 L HN -0.254 nan 8.230 nan 0.000 0.429 84 P HA 0.097 nan 4.420 nan 0.000 0.271 84 P C -1.112 176.259 177.300 0.118 0.000 1.233 84 P CA -0.003 63.170 63.100 0.123 0.000 0.764 84 P CB 0.925 32.594 31.700 -0.052 0.000 0.825 85 V N 5.536 125.527 119.914 0.128 0.000 2.409 85 V HA 0.229 4.349 4.120 -0.001 0.000 0.291 85 V C 0.237 176.409 176.094 0.129 0.000 1.020 85 V CA -0.847 61.539 62.300 0.143 0.000 0.848 85 V CB 1.609 33.522 31.823 0.149 0.000 0.990 85 V HN 0.382 nan 8.190 nan 0.000 0.430 86 L N 7.545 128.862 121.223 0.158 0.000 2.264 86 L HA 0.698 5.037 4.340 -0.001 0.000 0.289 86 L C -0.415 176.565 176.870 0.183 0.000 1.044 86 L CA 0.325 55.250 54.840 0.142 0.000 0.807 86 L CB 1.290 43.421 42.059 0.119 0.000 1.192 86 L HN 0.478 nan 8.230 nan 0.000 0.425 87 V N 4.166 124.139 119.914 0.099 0.000 2.656 87 V HA 0.732 4.852 4.120 -0.001 0.000 0.307 87 V C 0.590 176.727 176.094 0.071 0.000 1.051 87 V CA -0.579 61.749 62.300 0.047 0.000 0.893 87 V CB 1.427 33.193 31.823 -0.096 0.000 0.999 87 V HN 0.870 nan 8.190 nan 0.000 0.426 88 G N 2.766 111.593 108.800 0.044 0.000 2.395 88 G HA2 0.636 4.595 3.960 -0.001 0.000 0.283 88 G HA3 0.636 4.595 3.960 -0.001 0.000 0.283 88 G C -1.057 173.908 174.900 0.109 0.000 1.178 88 G CA -0.184 44.929 45.100 0.022 0.000 0.837 88 G HN 1.135 nan 8.290 nan 0.000 0.518 89 Y N 0.045 120.259 120.300 -0.143 0.000 2.750 89 Y HA 0.651 5.201 4.550 -0.001 0.000 0.335 89 Y C -1.828 174.015 175.900 -0.095 0.000 1.252 89 Y CA -1.707 56.321 58.100 -0.120 0.000 1.064 89 Y CB 1.317 39.700 38.460 -0.128 0.000 1.321 89 Y HN 0.604 nan 8.280 nan 0.000 0.451 90 L N 2.834 123.902 121.223 -0.258 0.000 2.289 90 L HA 0.590 4.930 4.340 -0.001 0.000 0.285 90 L C -1.005 175.629 176.870 -0.394 0.000 1.049 90 L CA 0.271 54.940 54.840 -0.286 0.000 0.804 90 L CB 1.012 43.031 42.059 -0.067 0.000 1.195 90 L HN 0.809 nan 8.230 nan 0.000 0.428 91 D N 2.853 123.005 120.400 -0.414 0.000 2.533 91 D HA 0.558 5.197 4.640 -0.001 0.000 0.247 91 D C -1.169 175.026 176.300 -0.175 0.000 1.056 91 D CA -0.462 53.377 54.000 -0.268 0.000 1.054 91 D CB 1.822 42.421 40.800 -0.336 0.000 1.400 91 D HN 0.541 nan 8.370 nan 0.000 0.533 92 R N -0.479 119.953 120.500 -0.113 0.000 2.837 92 R HA 0.535 4.874 4.340 -0.001 0.000 0.271 92 R C -1.044 175.215 176.300 -0.069 0.000 0.993 92 R CA -0.648 55.387 56.100 -0.109 0.000 0.931 92 R CB 0.514 30.757 30.300 -0.095 0.000 1.206 92 R HN 0.365 nan 8.270 nan 0.000 0.474 93 S N 1.129 116.790 115.700 -0.065 0.000 2.510 93 S HA 0.097 4.566 4.470 -0.001 0.000 0.279 93 S C 0.648 175.238 174.600 -0.016 0.000 1.284 93 S CA -0.574 57.608 58.200 -0.031 0.000 1.059 93 S CB 1.059 64.245 63.200 -0.023 0.000 0.901 93 S HN 0.638 nan 8.310 nan 0.000 0.491 94 E N 2.355 122.554 120.200 -0.001 0.000 2.106 94 E HA -0.004 4.345 4.350 -0.001 0.000 0.192 94 E C 0.283 176.886 176.600 0.006 0.000 0.984 94 E CA 0.857 57.259 56.400 0.004 0.000 0.806 94 E CB 0.027 29.735 29.700 0.013 0.000 0.750 94 E HN 0.692 nan 8.360 nan 0.000 0.458 95 S N -0.466 115.241 115.700 0.012 0.000 2.638 95 S HA 0.605 5.075 4.470 -0.001 0.000 0.302 95 S C -0.467 174.144 174.600 0.019 0.000 1.096 95 S CA -0.725 57.484 58.200 0.016 0.000 0.953 95 S CB 2.111 65.325 63.200 0.022 0.000 1.107 95 S HN 0.237 nan 8.310 nan 0.000 0.503 96 A N 1.616 124.447 122.820 0.018 0.000 2.454 96 A HA 0.357 4.676 4.320 -0.001 0.000 0.260 96 A C -0.137 177.469 177.584 0.037 0.000 1.106 96 A CA -0.179 51.871 52.037 0.023 0.000 0.780 96 A CB -0.072 18.938 19.000 0.016 0.000 1.044 96 A HN 0.700 nan 8.150 nan 0.000 0.498 97 Q N 3.230 123.063 119.800 0.056 0.000 2.425 97 Q HA 0.231 4.571 4.340 -0.001 0.000 0.254 97 Q C -2.061 173.986 176.000 0.078 0.000 1.032 97 Q CA -1.747 54.108 55.803 0.086 0.000 0.798 97 Q CB 1.634 30.462 28.738 0.150 0.000 1.210 97 Q HN 0.528 nan 8.270 nan 0.000 0.491 98 P HA -0.146 nan 4.420 nan 0.000 0.225 98 P C 1.144 178.429 177.300 -0.025 0.000 1.156 98 P CA 0.847 63.953 63.100 0.010 0.000 0.787 98 P CB 0.329 32.030 31.700 0.001 0.000 0.802 99 K N -0.189 120.174 120.400 -0.063 0.000 2.044 99 K HA -0.192 4.127 4.320 -0.001 0.000 0.210 99 K C 1.126 177.531 176.600 -0.325 0.000 1.049 99 K CA 1.695 57.850 56.287 -0.221 0.000 0.927 99 K CB -0.460 31.850 32.500 -0.318 0.000 0.713 99 K HN 0.118 nan 8.250 nan 0.000 0.443 100 Y N -0.547 119.753 120.300 -0.001 0.000 2.457 100 Y HA 0.264 4.813 4.550 -0.001 0.000 0.263 100 Y C 1.111 176.992 175.900 -0.033 0.000 1.164 100 Y CA 0.263 58.350 58.100 -0.022 0.000 1.274 100 Y CB 0.850 39.292 38.460 -0.030 0.000 1.097 100 Y HN 0.356 nan 8.280 nan 0.000 0.523 101 G N 0.756 109.604 108.800 0.079 0.000 2.246 101 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.273 101 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.273 101 G C -0.224 174.700 174.900 0.041 0.000 1.055 101 G CA -0.188 44.936 45.100 0.040 0.000 0.851 101 G HN 0.225 nan 8.290 nan 0.000 0.500 102 Q N -0.003 119.833 119.800 0.061 0.000 2.282 102 Q HA 0.477 4.817 4.340 -0.001 0.000 0.260 102 Q C -2.164 173.849 176.000 0.022 0.000 0.964 102 Q CA -1.765 54.059 55.803 0.034 0.000 0.880 102 Q CB 2.549 31.306 28.738 0.032 0.000 1.286 102 Q HN 0.353 nan 8.270 nan 0.000 0.445 103 P HA 0.180 nan 4.420 nan 0.000 0.276 103 P C -0.939 176.357 177.300 -0.006 0.000 1.244 103 P CA -0.432 62.669 63.100 0.002 0.000 0.801 103 P CB 0.617 32.315 31.700 -0.003 0.000 1.006 104 A N 0.950 123.768 122.820 -0.004 0.000 2.524 104 A HA 0.423 4.743 4.320 -0.001 0.000 0.250 104 A C 1.354 178.925 177.584 -0.022 0.000 1.078 104 A CA 0.860 52.891 52.037 -0.010 0.000 0.761 104 A CB -1.620 17.378 19.000 -0.004 0.000 1.012 104 A HN 0.898 nan 8.150 nan 0.000 0.500 105 G N 0.796 109.575 108.800 -0.035 0.000 2.184 105 G HA2 0.225 4.185 3.960 -0.001 0.000 0.206 105 G HA3 0.225 4.185 3.960 -0.001 0.000 0.206 105 G C 0.456 175.307 174.900 -0.082 0.000 0.995 105 G CA 0.099 45.168 45.100 -0.052 0.000 0.651 105 G HN 2.101 nan 8.290 nan 0.000 0.511 106 A N 1.638 124.407 122.820 -0.084 0.000 2.440 106 A HA 0.654 4.973 4.320 -0.001 0.000 0.251 106 A C -1.270 176.189 177.584 -0.209 0.000 1.089 106 A CA -0.604 51.358 52.037 -0.126 0.000 0.779 106 A CB 0.245 19.192 19.000 -0.088 0.000 1.022 106 A HN 0.229 nan 8.150 nan 0.000 0.492 107 P HA 0.234 nan 4.420 nan 0.000 0.271 107 P C -0.950 176.032 177.300 -0.530 0.000 1.218 107 P CA 0.127 62.879 63.100 -0.580 0.000 0.780 107 P CB 0.542 31.603 31.700 -1.065 0.000 0.901 108 R N 0.721 121.067 120.500 -0.256 0.000 2.621 108 R HA 0.425 4.765 4.340 -0.001 0.000 0.284 108 R C -0.532 175.824 176.300 0.094 0.000 0.998 108 R CA -0.914 55.209 56.100 0.037 0.000 0.895 108 R CB 0.910 31.169 30.300 -0.068 0.000 1.195 108 R HN 0.237 nan 8.270 nan 0.000 0.450 109 N N 2.081 120.896 118.700 0.191 0.000 2.415 109 N HA 0.210 4.949 4.740 -0.001 0.000 0.250 109 N C -1.242 174.092 175.510 -0.294 0.000 1.127 109 N CA 0.198 53.200 53.050 -0.080 0.000 0.945 109 N CB 1.179 39.544 38.487 -0.204 0.000 1.196 109 N HN 0.719 nan 8.380 nan 0.000 0.499 110 A N 2.271 124.812 122.820 -0.466 0.000 2.350 110 A HA 0.921 5.241 4.320 -0.001 0.000 0.318 110 A C -0.965 176.305 177.584 -0.523 0.000 1.132 110 A CA -0.629 51.044 52.037 -0.606 0.000 0.811 110 A CB 1.448 20.033 19.000 -0.692 0.000 1.313 110 A HN 0.660 nan 8.150 nan 0.000 0.454 111 A N -0.598 121.919 122.820 -0.504 0.000 2.515 111 A HA 0.904 5.223 4.320 -0.001 0.000 0.298 111 A C -0.463 177.177 177.584 0.094 0.000 1.059 111 A CA 0.035 51.991 52.037 -0.135 0.000 0.698 111 A CB 1.445 20.316 19.000 -0.214 0.000 1.289 111 A HN 2.475 nan 8.150 nan 0.000 0.404 112 A N 0.548 123.471 122.820 0.173 0.000 2.475 112 A HA 0.712 5.031 4.320 -0.001 0.000 0.301 112 A C -1.126 176.509 177.584 0.085 0.000 1.059 112 A CA -0.478 51.631 52.037 0.120 0.000 0.710 112 A CB 1.442 20.418 19.000 -0.040 0.000 1.288 112 A HN 1.343 nan 8.150 nan 0.000 0.408 113 V N 2.737 122.705 119.914 0.090 0.000 2.383 113 V HA 0.331 4.451 4.120 -0.001 0.000 0.275 113 V C -0.250 175.877 176.094 0.055 0.000 1.036 113 V CA -0.106 62.236 62.300 0.070 0.000 0.889 113 V CB 0.751 32.608 31.823 0.056 0.000 0.985 113 V HN 0.663 nan 8.190 nan 0.000 0.459 114 L N 5.758 127.018 121.223 0.060 0.000 2.282 114 L HA 0.643 4.983 4.340 -0.001 0.000 0.288 114 L C -0.176 176.793 176.870 0.165 0.000 1.033 114 L CA -0.292 54.588 54.840 0.067 0.000 0.807 114 L CB 0.871 42.941 42.059 0.018 0.000 1.209 114 L HN 0.668 nan 8.230 nan 0.000 0.423 115 H N 4.948 124.028 119.070 0.017 0.000 3.086 115 H HA 0.248 4.803 4.556 -0.001 0.000 0.353 115 H C -0.431 174.910 175.328 0.022 0.000 1.134 115 H CA -0.637 55.428 56.048 0.028 0.000 1.248 115 H CB 1.631 31.407 29.762 0.024 0.000 1.878 115 H HN 0.625 nan 8.280 nan 0.000 0.527 116 R N 2.184 122.473 120.500 -0.351 0.000 3.770 116 R HA -0.171 4.169 4.340 -0.001 0.000 0.305 116 R C 0.797 177.039 176.300 -0.096 0.000 1.184 116 R CA 1.079 57.031 56.100 -0.246 0.000 0.823 116 R CB -2.246 27.923 30.300 -0.219 0.000 1.285 116 R HN 1.100 nan 8.270 nan 0.000 0.499 117 G N -0.178 108.590 108.800 -0.055 0.000 2.160 117 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.244 117 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.244 117 G C 0.120 175.006 174.900 -0.023 0.000 1.022 117 G CA 0.775 45.858 45.100 -0.028 0.000 0.741 117 G HN 0.467 nan 8.290 nan 0.000 0.508 118 R N -1.676 118.816 120.500 -0.013 0.000 2.855 118 R HA 0.567 4.906 4.340 -0.001 0.000 0.266 118 R C -0.571 175.729 176.300 -0.001 0.000 1.034 118 R CA -0.891 55.204 56.100 -0.008 0.000 0.944 118 R CB 1.890 32.192 30.300 0.004 0.000 1.219 118 R HN 0.105 nan 8.270 nan 0.000 0.474 119 V N 2.378 122.283 119.914 -0.016 0.000 2.339 119 V HA 0.151 4.271 4.120 -0.001 0.000 0.261 119 V C 0.928 177.032 176.094 0.017 0.000 1.058 119 V CA 0.174 62.461 62.300 -0.021 0.000 0.897 119 V CB 0.632 32.416 31.823 -0.064 0.000 1.052 119 V HN 0.981 nan 8.190 nan 0.000 0.480 120 A N 5.085 127.932 122.820 0.045 0.000 2.021 120 A HA 0.379 4.698 4.320 -0.001 0.000 0.216 120 A C 0.493 178.107 177.584 0.052 0.000 1.163 120 A CA 0.823 52.896 52.037 0.060 0.000 0.676 120 A CB 0.144 19.200 19.000 0.094 0.000 0.818 120 A HN 0.661 nan 8.150 nan 0.000 0.453 121 L N -1.817 119.443 121.223 0.061 0.000 2.505 121 L HA 0.601 4.941 4.340 -0.001 0.000 0.259 121 L C -1.301 175.646 176.870 0.130 0.000 0.952 121 L CA -0.025 54.865 54.840 0.085 0.000 0.840 121 L CB 2.395 44.499 42.059 0.076 0.000 1.358 121 L HN -0.012 nan 8.230 nan 0.000 0.409 122 T N 3.395 118.047 114.554 0.164 0.000 2.906 122 T HA 0.846 5.195 4.350 -0.001 0.000 0.295 122 T C -1.294 173.589 174.700 0.305 0.000 1.061 122 T CA -0.251 61.976 62.100 0.212 0.000 1.000 122 T CB 1.574 70.540 68.868 0.164 0.000 1.103 122 T HN 0.600 nan 8.240 nan 0.000 0.486 123 F N -0.562 119.429 119.950 0.068 0.000 2.741 123 F HA 0.903 5.429 4.527 -0.001 0.000 0.313 123 F C -1.658 174.153 175.800 0.019 0.000 1.153 123 F CA -1.586 56.437 58.000 0.039 0.000 0.931 123 F CB 0.661 39.677 39.000 0.027 0.000 1.335 123 F HN 0.809 nan 8.300 nan 0.000 0.460 124 A N 1.642 124.375 122.820 -0.145 0.000 2.469 124 A HA 0.631 4.950 4.320 -0.001 0.000 0.299 124 A C -0.983 176.554 177.584 -0.077 0.000 1.098 124 A CA -1.196 50.664 52.037 -0.294 0.000 0.737 124 A CB 1.491 20.400 19.000 -0.152 0.000 1.312 124 A HN 0.984 nan 8.150 nan 0.000 0.414 125 K N -0.143 120.175 120.400 -0.137 0.000 2.550 125 K HA -0.086 4.234 4.320 -0.001 0.000 0.280 125 K C 0.488 177.131 176.600 0.072 0.000 0.987 125 K CA 0.731 57.008 56.287 -0.016 0.000 1.048 125 K CB 0.083 32.505 32.500 -0.131 0.000 0.879 125 K HN 0.923 nan 8.250 nan 0.000 0.491 126 H N 2.375 121.483 119.070 0.063 0.000 2.406 126 H HA 0.041 4.596 4.556 -0.001 0.000 0.304 126 H C -0.049 175.349 175.328 0.117 0.000 1.042 126 H CA 0.608 56.709 56.048 0.088 0.000 1.360 126 H CB 0.209 30.051 29.762 0.133 0.000 1.448 126 H HN 0.623 nan 8.280 nan 0.000 0.553 127 H N 1.430 120.509 119.070 0.015 0.000 2.723 127 H HA 0.258 4.814 4.556 -0.001 0.000 0.294 127 H C -0.995 174.282 175.328 -0.084 0.000 1.079 127 H CA -0.426 55.605 56.048 -0.028 0.000 1.411 127 H CB 0.239 30.046 29.762 0.075 0.000 1.439 127 H HN 0.274 nan 8.280 nan 0.000 0.474 128 L N 8.083 129.123 121.223 -0.304 0.000 2.366 128 L HA 0.358 4.698 4.340 -0.001 0.000 0.266 128 L C -2.518 174.169 176.870 -0.305 0.000 1.010 128 L CA -2.161 52.514 54.840 -0.274 0.000 0.879 128 L CB 1.255 43.276 42.059 -0.062 0.000 1.228 128 L HN 0.502 nan 8.230 nan 0.000 0.439 129 P HA 0.121 nan 4.420 nan 0.000 0.272 129 P C 0.335 177.312 177.300 -0.537 0.000 1.223 129 P CA -0.285 62.477 63.100 -0.563 0.000 0.784 129 P CB 0.988 32.287 31.700 -0.668 0.000 0.923 130 N N 1.926 120.276 118.700 -0.583 0.000 2.120 130 N HA -0.160 4.580 4.740 -0.001 0.000 0.188 130 N C 0.466 175.864 175.510 -0.187 0.000 1.024 130 N CA 1.145 53.821 53.050 -0.623 0.000 0.852 130 N CB -0.570 37.655 38.487 -0.437 0.000 1.003 130 N HN 0.571 nan 8.380 nan 0.000 0.424 131 Y N -1.934 118.279 120.300 -0.146 0.000 2.418 131 Y HA 0.622 5.171 4.550 -0.001 0.000 0.327 131 Y C 0.845 176.763 175.900 0.029 0.000 1.309 131 Y CA -0.718 57.355 58.100 -0.045 0.000 1.423 131 Y CB 0.366 38.819 38.460 -0.012 0.000 1.423 131 Y HN 0.190 nan 8.280 nan 0.000 0.532 132 G N -0.842 107.965 108.800 0.012 0.000 2.662 132 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.686 132 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.686 132 G C 0.092 174.912 174.900 -0.133 0.000 1.271 132 G CA -0.274 44.801 45.100 -0.042 0.000 0.816 132 G HN 1.591 nan 8.290 nan 0.000 0.608 133 V N -2.095 117.635 119.914 -0.307 0.000 2.548 133 V HA 0.342 4.461 4.120 -0.001 0.000 0.249 133 V C 1.449 177.275 176.094 -0.447 0.000 1.055 133 V CA 1.655 63.676 62.300 -0.464 0.000 1.065 133 V CB -0.952 30.472 31.823 -0.665 0.000 0.681 133 V HN 0.805 nan 8.190 nan 0.000 0.462 134 F N 2.523 122.468 119.950 -0.008 0.000 2.378 134 F HA 0.603 5.130 4.527 -0.001 0.000 0.325 134 F C 0.188 175.964 175.800 -0.040 0.000 1.097 134 F CA -1.843 56.136 58.000 -0.036 0.000 1.079 134 F CB 0.561 39.533 39.000 -0.047 0.000 1.240 134 F HN 0.189 nan 8.300 nan 0.000 0.519 135 D N -1.500 119.013 120.400 0.188 0.000 2.613 135 D HA 0.188 4.828 4.640 -0.001 0.000 0.312 135 D C -0.094 176.308 176.300 0.170 0.000 1.202 135 D CA -0.373 53.718 54.000 0.152 0.000 0.825 135 D CB -0.105 40.790 40.800 0.158 0.000 1.113 135 D HN 0.595 nan 8.370 nan 0.000 0.502 136 E N -0.346 119.876 120.200 0.038 0.000 2.435 136 E HA 0.009 4.358 4.350 -0.001 0.000 0.195 136 E C 0.906 177.594 176.600 0.146 0.000 1.029 136 E CA -0.043 56.302 56.400 -0.092 0.000 0.865 136 E CB 0.046 29.314 29.700 -0.719 0.000 0.833 136 E HN 0.431 nan 8.360 nan 0.000 0.510 137 F N 2.434 122.354 119.950 -0.049 0.000 2.134 137 F HA -0.199 4.327 4.527 -0.001 0.000 0.299 137 F C 2.209 177.973 175.800 -0.059 0.000 1.097 137 F CA 1.430 59.391 58.000 -0.065 0.000 1.264 137 F CB 0.193 39.145 39.000 -0.079 0.000 1.001 137 F HN -0.153 nan 8.300 nan 0.000 0.479 138 R N -0.694 119.740 120.500 -0.111 0.000 2.082 138 R HA -0.207 4.133 4.340 -0.001 0.000 0.234 138 R C 1.942 177.966 176.300 -0.460 0.000 1.136 138 R CA 2.328 58.160 56.100 -0.447 0.000 0.935 138 R CB -1.033 28.826 30.300 -0.735 0.000 0.842 138 R HN 0.405 nan 8.270 nan 0.000 0.430 139 Y N -1.378 118.981 120.300 0.098 0.000 2.507 139 Y HA 0.177 4.727 4.550 -0.001 0.000 0.263 139 Y C 0.504 176.374 175.900 -0.050 0.000 1.093 139 Y CA -0.582 57.532 58.100 0.022 0.000 1.285 139 Y CB 0.307 38.775 38.460 0.013 0.000 1.115 139 Y HN -0.155 nan 8.280 nan 0.000 0.533 140 F N 0.168 120.119 119.950 0.001 0.000 2.375 140 F HA 0.364 4.891 4.527 -0.001 0.000 0.333 140 F C 0.132 175.834 175.800 -0.163 0.000 1.104 140 F CA -1.456 56.506 58.000 -0.063 0.000 1.149 140 F CB 0.991 39.952 39.000 -0.065 0.000 1.190 140 F HN -0.413 nan 8.300 nan 0.000 0.533 141 V N 5.841 125.726 119.914 -0.048 0.000 2.350 141 V HA 0.451 4.570 4.120 -0.001 0.000 0.276 141 V C -2.310 173.649 176.094 -0.226 0.000 1.028 141 V CA -2.491 59.697 62.300 -0.186 0.000 0.860 141 V CB 1.098 32.846 31.823 -0.124 0.000 0.990 141 V HN 0.485 nan 8.190 nan 0.000 0.453 142 P HA 0.176 nan 4.420 nan 0.000 0.265 142 P C 0.124 177.347 177.300 -0.128 0.000 1.193 142 P CA 0.380 63.268 63.100 -0.354 0.000 0.765 142 P CB 0.468 31.762 31.700 -0.677 0.000 0.823 143 G N 1.711 110.531 108.800 0.033 0.000 2.380 143 G HA2 0.136 4.096 3.960 -0.001 0.000 0.262 143 G HA3 0.136 4.096 3.960 -0.001 0.000 0.262 143 G C -0.022 175.045 174.900 0.279 0.000 1.243 143 G CA -0.239 44.945 45.100 0.140 0.000 0.865 143 G HN 0.332 nan 8.290 nan 0.000 0.513 144 D N 0.713 121.267 120.400 0.255 0.000 2.424 144 D HA 0.122 4.762 4.640 -0.001 0.000 0.220 144 D C 1.544 177.921 176.300 0.129 0.000 1.150 144 D CA 0.040 54.200 54.000 0.267 0.000 0.831 144 D CB 0.544 41.522 40.800 0.296 0.000 0.981 144 D HN 0.506 nan 8.370 nan 0.000 0.500 145 T N -1.691 112.936 114.554 0.123 0.000 2.847 145 T HA 0.472 4.822 4.350 -0.001 0.000 0.279 145 T C 0.208 174.905 174.700 -0.006 0.000 0.984 145 T CA -0.848 61.288 62.100 0.061 0.000 0.988 145 T CB 1.687 70.605 68.868 0.083 0.000 1.040 145 T HN -0.135 nan 8.240 nan 0.000 0.528 146 M N 2.977 122.546 119.600 -0.052 0.000 2.016 146 M HA 0.399 4.878 4.480 -0.001 0.000 0.315 146 M C -2.756 173.459 176.300 -0.142 0.000 0.930 146 M CA -2.782 52.451 55.300 -0.112 0.000 0.899 146 M CB 1.403 33.946 32.600 -0.094 0.000 1.401 146 M HN 0.339 nan 8.290 nan 0.000 0.386 147 P HA 0.354 nan 4.420 nan 0.000 0.276 147 P C -1.035 176.133 177.300 -0.219 0.000 1.230 147 P CA -0.052 62.900 63.100 -0.246 0.000 0.776 147 P CB 1.003 32.435 31.700 -0.446 0.000 0.888 148 I N 3.073 123.562 120.570 -0.134 0.000 2.582 148 I HA 0.278 4.447 4.170 -0.001 0.000 0.292 148 I C -0.421 175.645 176.117 -0.085 0.000 1.066 148 I CA -0.873 60.363 61.300 -0.107 0.000 1.053 148 I CB 2.482 40.435 38.000 -0.079 0.000 1.241 148 I HN 0.043 nan 8.210 nan 0.000 0.421 149 V N 5.877 125.741 119.914 -0.084 0.000 2.417 149 V HA 0.483 4.603 4.120 -0.001 0.000 0.291 149 V C 0.084 176.129 176.094 -0.082 0.000 1.024 149 V CA -0.858 61.393 62.300 -0.081 0.000 0.861 149 V CB 1.635 33.407 31.823 -0.085 0.000 0.985 149 V HN 0.488 nan 8.190 nan 0.000 0.436 150 R N 4.059 124.509 120.500 -0.083 0.000 2.248 150 R HA 0.383 4.722 4.340 -0.001 0.000 0.337 150 R C -1.002 175.219 176.300 -0.131 0.000 1.106 150 R CA -0.417 55.634 56.100 -0.082 0.000 0.959 150 R CB 0.679 30.944 30.300 -0.059 0.000 1.075 150 R HN 0.501 nan 8.270 nan 0.000 0.480 151 L N 4.339 125.468 121.223 -0.156 0.000 2.372 151 L HA 0.306 4.646 4.340 -0.001 0.000 0.274 151 L C -0.496 176.215 176.870 -0.264 0.000 0.988 151 L CA -0.228 54.425 54.840 -0.312 0.000 0.833 151 L CB 0.561 42.432 42.059 -0.313 0.000 1.236 151 L HN 0.657 nan 8.230 nan 0.000 0.410 152 H N 4.150 123.202 119.070 -0.030 0.000 2.592 152 H HA -0.172 4.383 4.556 -0.001 0.000 0.323 152 H C 1.274 176.583 175.328 -0.033 0.000 1.117 152 H CA 0.953 56.977 56.048 -0.039 0.000 1.120 152 H CB -1.515 28.200 29.762 -0.079 0.000 1.561 152 H HN 1.143 nan 8.280 nan 0.000 0.409 153 G N -1.584 107.243 108.800 0.045 0.000 2.189 153 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.267 153 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.267 153 G C 0.320 175.225 174.900 0.009 0.000 0.975 153 G CA 0.378 45.493 45.100 0.024 0.000 0.644 153 G HN 0.610 nan 8.290 nan 0.000 0.537 154 V N 0.875 120.790 119.914 0.002 0.000 2.459 154 V HA 0.501 4.620 4.120 -0.001 0.000 0.295 154 V C -0.422 175.657 176.094 -0.026 0.000 1.029 154 V CA -0.971 61.326 62.300 -0.006 0.000 0.874 154 V CB 1.862 33.690 31.823 0.007 0.000 0.985 154 V HN 0.169 nan 8.190 nan 0.000 0.438 155 D N 4.262 124.648 120.400 -0.024 0.000 2.339 155 D HA 0.421 5.060 4.640 -0.001 0.000 0.241 155 D C -0.287 175.990 176.300 -0.038 0.000 1.183 155 D CA 0.240 54.219 54.000 -0.035 0.000 0.859 155 D CB 0.831 41.612 40.800 -0.031 0.000 1.067 155 D HN 0.367 nan 8.370 nan 0.000 0.484 156 I N 2.189 122.729 120.570 -0.050 0.000 2.328 156 I HA 0.411 4.580 4.170 -0.001 0.000 0.287 156 I C 0.445 176.517 176.117 -0.076 0.000 1.012 156 I CA -0.814 60.455 61.300 -0.051 0.000 1.195 156 I CB 1.479 39.452 38.000 -0.044 0.000 1.350 156 I HN 0.233 nan 8.210 nan 0.000 0.464 157 A N 7.873 130.645 122.820 -0.079 0.000 2.304 157 A HA 0.861 5.180 4.320 -0.001 0.000 0.301 157 A C -0.518 176.976 177.584 -0.150 0.000 1.132 157 A CA -0.431 51.534 52.037 -0.121 0.000 0.819 157 A CB 0.670 19.612 19.000 -0.097 0.000 1.094 157 A HN 0.714 nan 8.150 nan 0.000 0.492 158 L N 1.064 122.122 121.223 -0.275 0.000 2.362 158 L HA 0.818 5.158 4.340 -0.001 0.000 0.271 158 L C 0.179 176.823 176.870 -0.378 0.000 1.002 158 L CA -0.494 54.144 54.840 -0.337 0.000 0.818 158 L CB 1.980 43.735 42.059 -0.507 0.000 1.298 158 L HN 0.849 nan 8.230 nan 0.000 0.420 159 A N 3.179 125.956 122.820 -0.071 0.000 2.594 159 A HA 0.882 5.202 4.320 -0.001 0.000 0.291 159 A C -1.316 176.377 177.584 0.182 0.000 1.105 159 A CA -0.464 51.629 52.037 0.094 0.000 0.694 159 A CB 1.698 20.718 19.000 0.033 0.000 1.291 159 A HN 0.615 nan 8.150 nan 0.000 0.410 160 I N 1.114 121.775 120.570 0.152 0.000 2.418 160 I HA 0.342 4.512 4.170 -0.001 0.000 0.287 160 I C 1.035 177.072 176.117 -0.133 0.000 1.008 160 I CA -0.430 60.849 61.300 -0.035 0.000 1.104 160 I CB 1.239 39.170 38.000 -0.114 0.000 1.264 160 I HN 1.071 nan 8.210 nan 0.000 0.438 161 C N 4.666 123.833 119.300 -0.222 0.000 5.873 161 C HA -0.368 4.092 4.460 -0.001 0.000 0.328 161 C C 2.460 177.264 174.990 -0.311 0.000 2.430 161 C CA 2.372 61.233 59.018 -0.262 0.000 2.196 161 C CB -1.026 26.517 27.740 -0.328 0.000 3.232 161 C HN 0.946 nan 8.230 nan 0.000 0.260 162 E N 0.856 120.739 120.200 -0.528 0.000 2.418 162 E HA -0.038 4.311 4.350 -0.001 0.000 0.197 162 E C 1.339 177.882 176.600 -0.095 0.000 1.026 162 E CA 0.991 56.923 56.400 -0.781 0.000 0.862 162 E CB -0.281 28.884 29.700 -0.891 0.000 0.799 162 E HN 0.695 nan 8.360 nan 0.000 0.518 163 D N -0.070 120.335 120.400 0.008 0.000 2.133 163 D HA -0.171 4.469 4.640 -0.001 0.000 0.195 163 D C 1.376 177.780 176.300 0.174 0.000 0.997 163 D CA 0.889 54.981 54.000 0.153 0.000 0.840 163 D CB -0.051 40.824 40.800 0.125 0.000 0.947 163 D HN 0.170 nan 8.370 nan 0.000 0.452 164 L N -0.523 120.812 121.223 0.187 0.000 2.376 164 L HA -0.078 4.261 4.340 -0.001 0.000 0.219 164 L C 1.701 178.824 176.870 0.422 0.000 1.133 164 L CA 0.618 55.623 54.840 0.276 0.000 0.816 164 L CB -0.354 41.898 42.059 0.321 0.000 0.933 164 L HN 0.147 nan 8.230 nan 0.000 0.449 165 W N -0.638 120.765 121.300 0.172 0.000 2.584 165 W HA 0.081 4.741 4.660 -0.001 0.000 0.264 165 W C 1.379 177.944 176.519 0.075 0.000 1.264 165 W CA -0.437 57.019 57.345 0.184 0.000 1.306 165 W CB -0.689 28.942 29.460 0.287 0.000 1.110 165 W HN 0.123 nan 8.180 nan 0.000 0.606 166 Q N 1.839 121.712 119.800 0.121 0.000 2.293 166 Q HA 0.017 4.357 4.340 -0.001 0.000 0.263 166 Q C -0.690 175.291 176.000 -0.033 0.000 1.002 166 Q CA -0.037 55.627 55.803 -0.232 0.000 0.910 166 Q CB 0.481 28.947 28.738 -0.454 0.000 1.185 166 Q HN -0.163 nan 8.270 nan 0.000 0.401 167 D N 3.550 123.940 120.400 -0.018 0.000 2.346 167 D HA 0.199 4.839 4.640 -0.001 0.000 0.260 167 D C 0.613 176.918 176.300 0.007 0.000 1.252 167 D CA 0.949 54.956 54.000 0.012 0.000 0.895 167 D CB 0.794 41.605 40.800 0.019 0.000 1.097 167 D HN 0.887 nan 8.370 nan 0.000 0.489 168 G N 2.104 110.913 108.800 0.015 0.000 2.165 168 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.226 168 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.226 168 G C 0.755 175.665 174.900 0.018 0.000 1.035 168 G CA -0.134 44.976 45.100 0.017 0.000 0.744 168 G HN 0.723 nan 8.290 nan 0.000 0.501 169 G N -0.620 108.191 108.800 0.019 0.000 2.928 169 G HA2 0.434 4.394 3.960 -0.001 0.000 0.163 169 G HA3 0.434 4.394 3.960 -0.001 0.000 0.163 169 G C 1.072 175.970 174.900 -0.003 0.000 1.573 169 G CA 0.177 45.298 45.100 0.034 0.000 1.084 169 G HN 0.339 nan 8.290 nan 0.000 0.569 170 R N -1.063 119.443 120.500 0.010 0.000 2.275 170 R HA 0.085 4.424 4.340 -0.001 0.000 0.199 170 R C 2.460 178.752 176.300 -0.013 0.000 0.989 170 R CA 0.038 56.123 56.100 -0.025 0.000 1.016 170 R CB -0.155 30.135 30.300 -0.017 0.000 0.918 170 R HN 0.256 nan 8.270 nan 0.000 0.473 171 V N 1.610 121.533 119.914 0.016 0.000 2.223 171 V HA -0.164 3.956 4.120 -0.001 0.000 0.244 171 V C -0.958 175.139 176.094 0.006 0.000 1.045 171 V CA 1.822 64.134 62.300 0.020 0.000 1.000 171 V CB -1.041 30.810 31.823 0.046 0.000 0.635 171 V HN 0.217 nan 8.190 nan 0.000 0.445 172 P HA -0.069 nan 4.420 nan 0.000 0.220 172 P C 1.473 178.766 177.300 -0.012 0.000 1.148 172 P CA 1.633 64.733 63.100 -0.000 0.000 0.803 172 P CB -0.145 31.557 31.700 0.003 0.000 0.782 173 A N 0.056 122.863 122.820 -0.023 0.000 2.019 173 A HA -0.037 4.282 4.320 -0.001 0.000 0.219 173 A C 2.237 179.797 177.584 -0.039 0.000 1.164 173 A CA 1.823 53.838 52.037 -0.037 0.000 0.644 173 A CB -1.365 17.600 19.000 -0.059 0.000 0.805 173 A HN 0.221 nan 8.150 nan 0.000 0.449 174 A N -0.628 122.171 122.820 -0.035 0.000 1.975 174 A HA 0.028 4.347 4.320 -0.001 0.000 0.215 174 A C 2.166 179.735 177.584 -0.025 0.000 1.170 174 A CA 1.188 53.203 52.037 -0.037 0.000 0.656 174 A CB -0.359 18.619 19.000 -0.037 0.000 0.821 174 A HN 0.516 nan 8.150 nan 0.000 0.449 175 R N 0.115 120.606 120.500 -0.015 0.000 2.075 175 R HA -0.067 4.273 4.340 -0.001 0.000 0.232 175 R C 1.693 177.986 176.300 -0.012 0.000 1.126 175 R CA 1.728 57.823 56.100 -0.010 0.000 0.963 175 R CB -0.194 30.104 30.300 -0.003 0.000 0.858 175 R HN 0.447 nan 8.270 nan 0.000 0.435 176 S N -0.224 115.467 115.700 -0.014 0.000 2.607 176 S HA 0.060 4.530 4.470 -0.001 0.000 0.224 176 S C 1.282 175.872 174.600 -0.018 0.000 0.969 176 S CA 0.580 58.772 58.200 -0.014 0.000 0.927 176 S CB 0.726 63.918 63.200 -0.013 0.000 0.772 176 S HN 0.479 nan 8.310 nan 0.000 0.533 177 A N 0.787 123.593 122.820 -0.023 0.000 2.197 177 A HA 0.576 4.896 4.320 -0.001 0.000 0.210 177 A C 1.279 178.848 177.584 -0.024 0.000 1.180 177 A CA 0.334 52.355 52.037 -0.027 0.000 0.846 177 A CB -0.352 18.624 19.000 -0.039 0.000 0.884 177 A HN 0.865 nan 8.150 nan 0.000 0.487 178 G N -0.568 108.220 108.800 -0.020 0.000 2.623 178 G HA2 0.262 4.222 3.960 -0.001 0.000 0.281 178 G HA3 0.262 4.222 3.960 -0.001 0.000 0.281 178 G C 0.001 174.889 174.900 -0.020 0.000 1.087 178 G CA 0.208 45.298 45.100 -0.016 0.000 1.244 178 G HN 1.501 nan 8.290 nan 0.000 0.544 179 A N 0.214 123.021 122.820 -0.021 0.000 2.324 179 A HA 0.913 5.233 4.320 -0.001 0.000 0.330 179 A C 1.414 178.989 177.584 -0.015 0.000 1.165 179 A CA 0.625 52.648 52.037 -0.024 0.000 0.813 179 A CB 1.437 20.418 19.000 -0.033 0.000 1.197 179 A HN 1.635 nan 8.150 nan 0.000 0.484 180 G N 0.655 109.447 108.800 -0.013 0.000 2.404 180 G HA2 0.288 4.248 3.960 -0.001 0.000 0.213 180 G HA3 0.288 4.248 3.960 -0.001 0.000 0.213 180 G C 0.304 175.203 174.900 -0.002 0.000 1.189 180 G CA 0.872 45.969 45.100 -0.005 0.000 0.796 180 G HN 0.696 nan 8.290 nan 0.000 0.532 181 L N 0.066 121.285 121.223 -0.007 0.000 2.362 181 L HA 0.704 5.043 4.340 -0.001 0.000 0.275 181 L C -1.371 175.492 176.870 -0.011 0.000 0.998 181 L CA -1.129 53.709 54.840 -0.002 0.000 0.820 181 L CB 2.095 44.156 42.059 0.002 0.000 1.270 181 L HN 0.018 nan 8.230 nan 0.000 0.415 182 L N 6.036 127.259 121.223 -0.001 0.000 2.272 182 L HA 0.469 4.808 4.340 -0.001 0.000 0.284 182 L C -1.163 175.707 176.870 0.001 0.000 1.045 182 L CA 0.054 54.891 54.840 -0.006 0.000 0.842 182 L CB 0.729 42.793 42.059 0.009 0.000 1.224 182 L HN 0.639 nan 8.230 nan 0.000 0.430 183 L N 4.138 125.351 121.223 -0.018 0.000 2.255 183 L HA 0.423 4.762 4.340 -0.001 0.000 0.289 183 L C -0.085 176.773 176.870 -0.021 0.000 1.046 183 L CA -0.104 54.727 54.840 -0.014 0.000 0.816 183 L CB 1.171 43.221 42.059 -0.014 0.000 1.197 183 L HN 0.710 nan 8.230 nan 0.000 0.427 184 S N 4.593 120.271 115.700 -0.037 0.000 2.456 184 S HA 0.513 4.983 4.470 -0.001 0.000 0.316 184 S C -0.528 173.954 174.600 -0.197 0.000 1.089 184 S CA -0.724 57.421 58.200 -0.092 0.000 1.101 184 S CB 1.167 64.313 63.200 -0.091 0.000 0.995 184 S HN 0.430 nan 8.310 nan 0.000 0.468 185 V N 3.859 123.675 119.914 -0.164 0.000 2.472 185 V HA 0.729 4.848 4.120 -0.001 0.000 0.290 185 V C -0.420 175.478 176.094 -0.327 0.000 1.037 185 V CA -0.658 61.513 62.300 -0.216 0.000 0.908 185 V CB 1.268 33.026 31.823 -0.108 0.000 0.985 185 V HN 0.889 nan 8.190 nan 0.000 0.454 186 N N 2.735 121.204 118.700 -0.385 0.000 2.525 186 N HA 0.779 5.518 4.740 -0.001 0.000 0.270 186 N C -1.007 174.294 175.510 -0.348 0.000 1.321 186 N CA -0.321 52.478 53.050 -0.418 0.000 0.797 186 N CB 2.490 40.597 38.487 -0.634 0.000 1.529 186 N HN 1.077 nan 8.380 nan 0.000 0.491 187 A N 0.569 123.186 122.820 -0.339 0.000 3.156 187 A HA 0.329 4.648 4.320 -0.001 0.000 0.311 187 A C -0.743 176.905 177.584 0.106 0.000 1.129 187 A CA -0.471 51.336 52.037 -0.383 0.000 0.809 187 A CB 0.292 18.768 19.000 -0.872 0.000 1.257 187 A HN 0.401 nan 8.150 nan 0.000 0.491 188 S N 3.475 119.397 115.700 0.371 0.000 2.422 188 S HA 0.650 5.120 4.470 -0.001 0.000 0.298 188 S C -2.432 172.557 174.600 0.648 0.000 1.118 188 S CA -1.485 57.040 58.200 0.541 0.000 1.083 188 S CB 0.593 64.078 63.200 0.475 0.000 0.971 188 S HN 0.498 nan 8.310 nan 0.000 0.478 189 P HA 0.070 nan 4.420 nan 0.000 0.272 189 P C -0.986 176.416 177.300 0.169 0.000 1.223 189 P CA -0.325 62.858 63.100 0.138 0.000 0.784 189 P CB 0.253 31.985 31.700 0.054 0.000 0.923 190 Y N 1.276 121.576 120.300 -0.001 0.000 2.377 190 Y HA 0.238 4.787 4.550 -0.001 0.000 0.330 190 Y C 0.243 176.165 175.900 0.036 0.000 1.108 190 Y CA -0.139 57.993 58.100 0.054 0.000 1.308 190 Y CB 0.567 39.118 38.460 0.152 0.000 1.216 190 Y HN 0.383 nan 8.280 nan 0.000 0.518 191 E N 5.738 125.555 120.200 -0.639 0.000 2.224 191 E HA 0.277 4.626 4.350 -0.001 0.000 0.265 191 E C -1.181 174.866 176.600 -0.921 0.000 0.878 191 E CA -1.295 54.709 56.400 -0.659 0.000 0.759 191 E CB 0.952 30.485 29.700 -0.278 0.000 1.164 191 E HN 0.712 nan 8.360 nan 0.000 0.414 192 R N 3.337 123.328 120.500 -0.850 0.000 2.404 192 R HA 0.072 4.412 4.340 -0.001 0.000 0.315 192 R C -1.185 175.006 176.300 -0.181 0.000 1.032 192 R CA 0.516 56.394 56.100 -0.370 0.000 0.992 192 R CB 0.279 30.498 30.300 -0.136 0.000 0.959 192 R HN 0.335 nan 8.270 nan 0.000 0.428 193 D N 2.854 123.201 120.400 -0.090 0.000 2.990 193 D HA 0.113 4.752 4.640 -0.001 0.000 0.227 193 D C -0.039 176.260 176.300 -0.002 0.000 1.249 193 D CA -0.615 53.354 54.000 -0.051 0.000 0.891 193 D CB 1.505 42.265 40.800 -0.068 0.000 1.647 193 D HN 0.619 nan 8.370 nan 0.000 0.530 194 K N 1.309 121.710 120.400 0.001 0.000 2.148 194 K HA -0.015 4.305 4.320 -0.001 0.000 0.204 194 K C 0.164 176.772 176.600 0.013 0.000 1.050 194 K CA 0.576 56.873 56.287 0.015 0.000 0.942 194 K CB 0.064 32.571 32.500 0.012 0.000 0.724 194 K HN 0.190 nan 8.250 nan 0.000 0.446 195 D N 1.862 122.261 120.400 -0.002 0.000 2.341 195 D HA 0.002 4.642 4.640 -0.001 0.000 0.245 195 D C -0.594 175.705 176.300 -0.002 0.000 1.106 195 D CA -0.175 53.821 54.000 -0.006 0.000 0.905 195 D CB 0.908 41.695 40.800 -0.022 0.000 1.202 195 D HN 0.085 nan 8.370 nan 0.000 0.426 196 D N 0.573 120.974 120.400 0.001 0.000 2.558 196 D HA 0.010 4.649 4.640 -0.001 0.000 0.221 196 D C 1.189 177.473 176.300 -0.026 0.000 1.143 196 D CA -0.187 53.812 54.000 -0.001 0.000 1.010 196 D CB -0.059 40.750 40.800 0.016 0.000 1.068 196 D HN 0.282 nan 8.370 nan 0.000 0.511 197 T N 0.120 114.650 114.554 -0.039 0.000 2.881 197 T HA -0.219 4.130 4.350 -0.001 0.000 0.270 197 T C 1.919 176.569 174.700 -0.082 0.000 1.068 197 T CA 0.654 62.716 62.100 -0.063 0.000 1.131 197 T CB 0.083 68.906 68.868 -0.076 0.000 0.871 197 T HN 0.145 nan 8.240 nan 0.000 0.479 198 R N 0.881 121.325 120.500 -0.093 0.000 2.073 198 R HA 0.104 4.444 4.340 -0.001 0.000 0.234 198 R C 2.269 178.474 176.300 -0.158 0.000 1.134 198 R CA 1.225 57.220 56.100 -0.175 0.000 0.952 198 R CB -1.209 28.977 30.300 -0.190 0.000 0.850 198 R HN 0.432 nan 8.270 nan 0.000 0.433 199 L N 1.049 122.220 121.223 -0.087 0.000 2.056 199 L HA -0.034 4.305 4.340 -0.001 0.000 0.207 199 L C 1.678 178.527 176.870 -0.035 0.000 1.078 199 L CA 1.880 56.691 54.840 -0.047 0.000 0.749 199 L CB -0.630 41.427 42.059 -0.003 0.000 0.901 199 L HN 0.310 nan 8.230 nan 0.000 0.433 200 E N -0.646 119.532 120.200 -0.037 0.000 2.085 200 E HA -0.284 4.066 4.350 -0.001 0.000 0.194 200 E C 2.124 178.706 176.600 -0.028 0.000 0.994 200 E CA 1.671 58.053 56.400 -0.030 0.000 0.801 200 E CB -0.372 29.305 29.700 -0.039 0.000 0.743 200 E HN 0.462 nan 8.360 nan 0.000 0.453 201 L N 0.387 121.584 121.223 -0.043 0.000 1.994 201 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 201 L C 2.210 179.093 176.870 0.021 0.000 1.071 201 L CA 1.398 56.230 54.840 -0.012 0.000 0.745 201 L CB -0.198 41.856 42.059 -0.008 0.000 0.892 201 L HN -0.041 nan 8.230 nan 0.000 0.431 202 V N -0.233 119.674 119.914 -0.012 0.000 2.548 202 V HA -0.176 3.943 4.120 -0.001 0.000 0.249 202 V C 2.720 178.833 176.094 0.032 0.000 1.055 202 V CA 1.696 64.012 62.300 0.026 0.000 1.065 202 V CB -0.823 30.994 31.823 -0.010 0.000 0.681 202 V HN 0.452 nan 8.190 nan 0.000 0.462 203 R N 0.593 121.102 120.500 0.015 0.000 2.070 203 R HA -0.206 4.133 4.340 -0.001 0.000 0.232 203 R C 2.467 178.781 176.300 0.023 0.000 1.138 203 R CA 2.100 58.212 56.100 0.020 0.000 0.936 203 R CB -0.252 30.056 30.300 0.013 0.000 0.839 203 R HN 0.440 nan 8.270 nan 0.000 0.429 204 K N -0.207 120.205 120.400 0.020 0.000 2.103 204 K HA -0.176 4.144 4.320 -0.001 0.000 0.207 204 K C 2.085 178.706 176.600 0.034 0.000 1.048 204 K CA 1.443 57.743 56.287 0.021 0.000 0.930 204 K CB 0.063 32.572 32.500 0.016 0.000 0.716 204 K HN -0.052 nan 8.250 nan 0.000 0.444 205 R N -0.153 120.376 120.500 0.049 0.000 2.100 205 R HA 0.147 4.486 4.340 -0.001 0.000 0.220 205 R C 1.981 178.312 176.300 0.053 0.000 1.091 205 R CA 1.172 57.309 56.100 0.063 0.000 0.986 205 R CB -0.785 29.574 30.300 0.098 0.000 0.888 205 R HN 0.314 nan 8.270 nan 0.000 0.444 206 A N 0.455 123.305 122.820 0.049 0.000 1.969 206 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 206 A C 1.951 179.552 177.584 0.030 0.000 1.169 206 A CA 1.063 53.125 52.037 0.041 0.000 0.635 206 A CB -0.255 18.770 19.000 0.042 0.000 0.810 206 A HN 0.335 nan 8.150 nan 0.000 0.445 207 Q N -0.868 118.948 119.800 0.027 0.000 2.049 207 Q HA -0.175 4.165 4.340 -0.001 0.000 0.198 207 Q C 2.110 178.122 176.000 0.019 0.000 0.971 207 Q CA 1.470 57.285 55.803 0.020 0.000 0.833 207 Q CB -0.163 28.585 28.738 0.017 0.000 0.896 207 Q HN 0.834 nan 8.270 nan 0.000 0.434 208 E N 0.371 120.584 120.200 0.022 0.000 2.110 208 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 208 E C 1.787 178.398 176.600 0.018 0.000 0.988 208 E CA 1.014 57.426 56.400 0.021 0.000 0.804 208 E CB -0.013 29.703 29.700 0.027 0.000 0.745 208 E HN 0.341 nan 8.360 nan 0.000 0.458 209 A N 0.157 122.990 122.820 0.022 0.000 1.968 209 A HA 0.111 4.431 4.320 -0.001 0.000 0.217 209 A C 1.842 179.432 177.584 0.011 0.000 1.169 209 A CA 1.166 53.212 52.037 0.015 0.000 0.638 209 A CB -0.596 18.416 19.000 0.019 0.000 0.812 209 A HN 0.487 nan 8.150 nan 0.000 0.446 210 G N -1.392 107.416 108.800 0.014 0.000 2.225 210 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.264 210 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.264 210 G C 0.292 175.198 174.900 0.010 0.000 1.060 210 G CA 0.781 45.888 45.100 0.011 0.000 0.833 210 G HN 1.982 nan 8.290 nan 0.000 0.498 211 C N -2.998 116.310 119.300 0.014 0.000 3.320 211 C HA 0.846 5.306 4.460 -0.001 0.000 0.335 211 C C 0.546 175.548 174.990 0.020 0.000 1.430 211 C CA -0.134 58.892 59.018 0.013 0.000 1.271 211 C CB 1.198 28.942 27.740 0.008 0.000 1.609 211 C HN 0.742 nan 8.230 nan 0.000 0.457 212 T N 2.701 117.266 114.554 0.020 0.000 2.853 212 T HA 0.480 4.830 4.350 -0.001 0.000 0.298 212 T C 0.076 174.793 174.700 0.030 0.000 0.978 212 T CA 0.664 62.779 62.100 0.026 0.000 1.152 212 T CB 0.160 69.043 68.868 0.024 0.000 0.914 212 T HN 0.846 nan 8.240 nan 0.000 0.539 213 T N 2.842 117.421 114.554 0.042 0.000 2.840 213 T HA 0.602 4.952 4.350 -0.001 0.000 0.287 213 T C -0.262 174.480 174.700 0.070 0.000 0.991 213 T CA -0.680 61.453 62.100 0.055 0.000 0.964 213 T CB 1.339 70.249 68.868 0.070 0.000 0.954 213 T HN 0.674 nan 8.240 nan 0.000 0.438 214 A N 3.281 126.139 122.820 0.062 0.000 2.249 214 A HA 0.573 4.893 4.320 -0.001 0.000 0.314 214 A C -0.962 176.680 177.584 0.097 0.000 1.290 214 A CA -0.575 51.504 52.037 0.070 0.000 0.893 214 A CB 0.171 19.192 19.000 0.034 0.000 1.165 214 A HN 0.941 nan 8.150 nan 0.000 0.530 215 Y N 4.068 124.367 120.300 -0.002 0.000 2.594 215 Y HA 0.466 5.016 4.550 -0.001 0.000 0.342 215 Y C -0.367 175.519 175.900 -0.025 0.000 1.010 215 Y CA -0.818 57.282 58.100 0.000 0.000 1.270 215 Y CB 0.662 39.133 38.460 0.019 0.000 1.125 215 Y HN 0.639 nan 8.280 nan 0.000 0.513 216 L N 6.102 127.278 121.223 -0.078 0.000 2.276 216 L HA 0.779 5.119 4.340 -0.001 0.000 0.286 216 L C -0.736 176.046 176.870 -0.147 0.000 1.061 216 L CA -0.183 54.609 54.840 -0.080 0.000 0.807 216 L CB 0.568 42.554 42.059 -0.122 0.000 1.177 216 L HN 0.613 nan 8.230 nan 0.000 0.429 217 A N 5.864 128.662 122.820 -0.036 0.000 2.356 217 A HA 0.669 4.989 4.320 -0.001 0.000 0.323 217 A C -0.345 177.194 177.584 -0.075 0.000 1.119 217 A CA -0.788 51.236 52.037 -0.021 0.000 0.790 217 A CB 1.005 20.117 19.000 0.187 0.000 1.273 217 A HN 0.888 nan 8.150 nan 0.000 0.452 218 M N 2.290 121.820 119.600 -0.117 0.000 2.240 218 M HA 0.433 4.912 4.480 -0.001 0.000 0.333 218 M C -0.760 175.539 176.300 -0.001 0.000 1.110 218 M CA 0.206 55.416 55.300 -0.150 0.000 1.173 218 M CB 0.342 32.713 32.600 -0.380 0.000 1.458 218 M HN 0.665 nan 8.290 nan 0.000 0.458 219 I N 2.964 123.546 120.570 0.019 0.000 2.689 219 I HA 0.842 5.012 4.170 -0.001 0.000 0.299 219 I C -0.257 175.969 176.117 0.183 0.000 1.059 219 I CA 0.340 61.709 61.300 0.113 0.000 1.055 219 I CB 1.602 39.625 38.000 0.037 0.000 1.243 219 I HN 0.892 nan 8.210 nan 0.000 0.425 220 G N 4.101 113.065 108.800 0.274 0.000 2.354 220 G HA2 0.299 4.258 3.960 -0.001 0.000 0.582 220 G HA3 0.299 4.258 3.960 -0.001 0.000 0.582 220 G C -0.975 174.130 174.900 0.341 0.000 1.316 220 G CA -0.312 44.951 45.100 0.272 0.000 0.995 220 G HN 1.012 nan 8.290 nan 0.000 0.573 221 G N -1.144 107.808 108.800 0.252 0.000 2.416 221 G HA2 0.698 4.658 3.960 -0.001 0.000 0.329 221 G HA3 0.698 4.658 3.960 -0.001 0.000 0.329 221 G C -0.771 174.271 174.900 0.237 0.000 1.173 221 G CA -0.167 45.060 45.100 0.212 0.000 0.929 221 G HN 0.908 nan 8.290 nan 0.000 0.475 222 Q N 1.746 121.684 119.800 0.229 0.000 2.350 222 Q HA 0.383 4.723 4.340 -0.001 0.000 0.255 222 Q C 0.050 176.174 176.000 0.207 0.000 0.951 222 Q CA -0.244 55.700 55.803 0.235 0.000 0.751 222 Q CB 0.733 29.666 28.738 0.325 0.000 1.296 222 Q HN 0.662 nan 8.270 nan 0.000 0.453 223 D N 1.888 122.441 120.400 0.256 0.000 3.685 223 D HA -0.285 4.354 4.640 -0.001 0.000 0.152 223 D C 0.079 176.528 176.300 0.249 0.000 0.966 223 D CA 1.995 56.169 54.000 0.290 0.000 1.085 223 D CB -0.364 40.553 40.800 0.194 0.000 0.521 223 D HN 0.778 nan 8.370 nan 0.000 0.543 224 E N 0.158 120.438 120.200 0.134 0.000 2.481 224 E HA 0.118 4.468 4.350 -0.001 0.000 0.195 224 E C 0.246 176.868 176.600 0.036 0.000 1.047 224 E CA 0.158 56.595 56.400 0.062 0.000 0.867 224 E CB 0.187 29.880 29.700 -0.012 0.000 0.858 224 E HN 0.274 nan 8.360 nan 0.000 0.513 225 L N 1.286 122.521 121.223 0.019 0.000 2.343 225 L HA 0.365 4.705 4.340 -0.001 0.000 0.275 225 L C -0.255 176.520 176.870 -0.157 0.000 1.056 225 L CA -0.827 53.948 54.840 -0.108 0.000 0.804 225 L CB 1.623 43.563 42.059 -0.199 0.000 1.203 225 L HN -0.190 nan 8.230 nan 0.000 0.440 226 V N 2.478 122.284 119.914 -0.181 0.000 2.540 226 V HA 0.405 4.524 4.120 -0.001 0.000 0.302 226 V C -0.572 175.415 176.094 -0.177 0.000 1.035 226 V CA -0.458 61.805 62.300 -0.063 0.000 0.873 226 V CB 1.780 33.697 31.823 0.158 0.000 0.992 226 V HN 0.370 nan 8.190 nan 0.000 0.428 227 F N 3.664 123.742 119.950 0.214 0.000 2.410 227 F HA 0.364 4.891 4.527 -0.001 0.000 0.349 227 F C 1.170 176.992 175.800 0.037 0.000 1.117 227 F CA -0.600 57.492 58.000 0.154 0.000 1.104 227 F CB 1.307 40.387 39.000 0.133 0.000 1.122 227 F HN 0.676 nan 8.300 nan 0.000 0.483 228 D N 1.608 122.036 120.400 0.046 0.000 2.368 228 D HA 0.205 4.845 4.640 -0.001 0.000 0.218 228 D C 1.288 177.346 176.300 -0.403 0.000 1.112 228 D CA 0.507 54.191 54.000 -0.527 0.000 0.834 228 D CB 0.026 40.387 40.800 -0.731 0.000 0.953 228 D HN 0.726 nan 8.370 nan 0.000 0.505 229 G N 2.449 111.187 108.800 -0.103 0.000 2.634 229 G HA2 -0.450 3.510 3.960 -0.001 0.000 0.318 229 G HA3 -0.450 3.510 3.960 -0.001 0.000 0.318 229 G C 0.216 175.080 174.900 -0.061 0.000 1.207 229 G CA 0.936 45.995 45.100 -0.069 0.000 0.987 229 G HN 0.647 nan 8.290 nan 0.000 0.547 230 D N -0.467 119.872 120.400 -0.101 0.000 2.716 230 D HA -0.082 4.558 4.640 -0.001 0.000 0.239 230 D C 0.443 176.714 176.300 -0.048 0.000 1.125 230 D CA 1.443 55.383 54.000 -0.101 0.000 0.681 230 D CB -1.311 39.411 40.800 -0.131 0.000 1.070 230 D HN 0.860 nan 8.370 nan 0.000 0.432 231 S N 0.339 116.030 115.700 -0.014 0.000 2.560 231 S HA 0.430 4.900 4.470 -0.001 0.000 0.284 231 S C 0.774 175.370 174.600 -0.007 0.000 1.327 231 S CA -0.144 58.083 58.200 0.045 0.000 1.055 231 S CB 0.768 63.977 63.200 0.015 0.000 0.868 231 S HN 0.346 nan 8.310 nan 0.000 0.506 232 I N 1.718 122.309 120.570 0.035 0.000 2.689 232 I HA 0.522 4.692 4.170 -0.001 0.000 0.299 232 I C -0.850 175.295 176.117 0.047 0.000 1.059 232 I CA -1.165 60.135 61.300 -0.000 0.000 1.055 232 I CB 1.889 39.871 38.000 -0.031 0.000 1.243 232 I HN 0.221 nan 8.210 nan 0.000 0.425 233 V N 5.128 125.063 119.914 0.035 0.000 2.495 233 V HA 0.546 4.666 4.120 -0.001 0.000 0.298 233 V C -0.231 175.893 176.094 0.050 0.000 1.031 233 V CA -0.666 61.663 62.300 0.048 0.000 0.871 233 V CB 2.254 34.102 31.823 0.040 0.000 0.988 233 V HN 0.466 nan 8.190 nan 0.000 0.432 234 V N 3.744 123.688 119.914 0.051 0.000 2.709 234 V HA 0.418 4.538 4.120 -0.001 0.000 0.308 234 V C -0.550 175.569 176.094 0.042 0.000 1.062 234 V CA -0.795 61.534 62.300 0.048 0.000 0.901 234 V CB 2.267 34.118 31.823 0.046 0.000 1.003 234 V HN 1.079 nan 8.190 nan 0.000 0.425 235 D N 3.875 124.297 120.400 0.037 0.000 2.414 235 D HA 0.078 4.717 4.640 -0.001 0.000 0.251 235 D C 1.262 177.577 176.300 0.026 0.000 1.252 235 D CA -0.506 53.511 54.000 0.029 0.000 0.999 235 D CB 0.585 41.400 40.800 0.026 0.000 1.093 235 D HN 0.447 nan 8.370 nan 0.000 0.515 236 R N -0.240 120.272 120.500 0.021 0.000 2.117 236 R HA -0.180 4.160 4.340 -0.001 0.000 0.243 236 R C 0.881 177.191 176.300 0.017 0.000 1.143 236 R CA 2.002 58.113 56.100 0.018 0.000 0.968 236 R CB -0.446 29.862 30.300 0.014 0.000 0.863 236 R HN 0.469 nan 8.270 nan 0.000 0.444 237 D N -1.629 118.780 120.400 0.017 0.000 2.327 237 D HA 0.137 4.777 4.640 -0.001 0.000 0.205 237 D C 0.682 176.992 176.300 0.016 0.000 0.989 237 D CA 1.218 55.227 54.000 0.014 0.000 0.873 237 D CB 0.693 41.500 40.800 0.012 0.000 0.955 237 D HN 0.508 nan 8.370 nan 0.000 0.515 238 G N 1.393 110.205 108.800 0.021 0.000 2.157 238 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.118 238 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.118 238 G C -0.321 174.596 174.900 0.027 0.000 1.032 238 G CA -0.557 44.557 45.100 0.023 0.000 0.697 238 G HN 0.075 nan 8.290 nan 0.000 0.495 239 E N -0.180 120.039 120.200 0.030 0.000 2.183 239 E HA 0.595 4.945 4.350 -0.001 0.000 0.271 239 E C 0.459 177.091 176.600 0.054 0.000 0.919 239 E CA -0.606 55.816 56.400 0.036 0.000 0.781 239 E CB 1.989 31.704 29.700 0.025 0.000 1.140 239 E HN 0.217 nan 8.360 nan 0.000 0.402 240 V N 4.772 124.734 119.914 0.080 0.000 2.425 240 V HA -0.032 4.088 4.120 -0.001 0.000 0.276 240 V C 1.102 177.267 176.094 0.118 0.000 1.017 240 V CA 0.179 62.553 62.300 0.124 0.000 1.062 240 V CB 0.400 32.371 31.823 0.246 0.000 0.997 240 V HN 0.638 nan 8.190 nan 0.000 0.476 241 V N 3.885 123.851 119.914 0.088 0.000 2.488 241 V HA 0.226 4.346 4.120 -0.001 0.000 0.246 241 V C 0.992 177.138 176.094 0.087 0.000 1.046 241 V CA 1.607 63.951 62.300 0.073 0.000 1.053 241 V CB -0.377 31.477 31.823 0.051 0.000 0.679 241 V HN 0.960 nan 8.190 nan 0.000 0.458 242 A N -0.058 122.810 122.820 0.080 0.000 2.612 242 A HA 0.884 5.204 4.320 -0.001 0.000 0.293 242 A C -0.902 176.671 177.584 -0.017 0.000 1.075 242 A CA -0.724 51.347 52.037 0.057 0.000 0.680 242 A CB 1.977 20.998 19.000 0.035 0.000 1.279 242 A HN 0.199 nan 8.150 nan 0.000 0.411 243 R N 0.398 120.825 120.500 -0.122 0.000 2.518 243 R HA 0.652 4.991 4.340 -0.001 0.000 0.287 243 R C -0.504 175.652 176.300 -0.240 0.000 1.135 243 R CA 0.482 56.405 56.100 -0.295 0.000 0.967 243 R CB 1.267 31.096 30.300 -0.785 0.000 1.212 243 R HN 1.642 nan 8.270 nan 0.000 0.422 244 A N 5.443 128.172 122.820 -0.152 0.000 2.332 244 A HA 0.616 4.936 4.320 -0.001 0.000 0.258 244 A C -2.142 175.379 177.584 -0.105 0.000 1.087 244 A CA -1.354 50.625 52.037 -0.096 0.000 0.802 244 A CB -0.112 18.848 19.000 -0.066 0.000 1.042 244 A HN 0.666 nan 8.150 nan 0.000 0.489 245 P HA 0.156 nan 4.420 nan 0.000 0.272 245 P C -1.007 176.258 177.300 -0.057 0.000 1.230 245 P CA -0.004 63.077 63.100 -0.031 0.000 0.788 245 P CB 0.430 32.142 31.700 0.020 0.000 0.949 246 Q N 0.448 120.220 119.800 -0.048 0.000 2.259 246 Q HA 0.370 4.710 4.340 -0.001 0.000 0.249 246 Q C -0.377 175.613 176.000 -0.016 0.000 0.914 246 Q CA -0.394 55.306 55.803 -0.173 0.000 0.904 246 Q CB 0.198 28.840 28.738 -0.160 0.000 1.213 246 Q HN 0.287 nan 8.270 nan 0.000 0.428 247 F N -0.759 119.183 119.950 -0.013 0.000 3.057 247 F HA -0.275 4.252 4.527 -0.001 0.000 0.287 247 F C -0.231 175.581 175.800 0.020 0.000 0.834 247 F CA 0.503 58.497 58.000 -0.010 0.000 1.147 247 F CB -1.951 37.017 39.000 -0.053 0.000 1.245 247 F HN 0.325 nan 8.300 nan 0.000 0.509 248 S N -0.984 114.790 115.700 0.123 0.000 2.541 248 S HA 0.438 4.907 4.470 -0.001 0.000 0.280 248 S C -0.312 174.330 174.600 0.069 0.000 1.112 248 S CA -1.015 57.251 58.200 0.109 0.000 0.925 248 S CB 2.537 65.798 63.200 0.101 0.000 1.067 248 S HN 0.263 nan 8.310 nan 0.000 0.479 249 E N 0.772 121.026 120.200 0.091 0.000 2.392 249 E HA 0.512 4.861 4.350 -0.001 0.000 0.264 249 E C 0.290 176.961 176.600 0.118 0.000 1.024 249 E CA 0.160 56.607 56.400 0.078 0.000 0.903 249 E CB 0.509 30.306 29.700 0.163 0.000 0.963 249 E HN 0.793 nan 8.360 nan 0.000 0.432 250 G N 1.317 110.150 108.800 0.056 0.000 2.441 250 G HA2 0.384 4.344 3.960 -0.001 0.000 0.294 250 G HA3 0.384 4.344 3.960 -0.001 0.000 0.294 250 G C -1.319 173.605 174.900 0.040 0.000 1.393 250 G CA -0.301 44.889 45.100 0.149 0.000 0.796 250 G HN 0.834 nan 8.290 nan 0.000 0.494 251 C N -1.160 118.231 119.300 0.151 0.000 2.802 251 C HA 0.897 5.357 4.460 -0.001 0.000 0.307 251 C C -0.426 174.599 174.990 0.059 0.000 1.222 251 C CA -1.038 58.038 59.018 0.096 0.000 1.580 251 C CB 1.066 28.983 27.740 0.295 0.000 2.119 251 C HN 0.760 nan 8.230 nan 0.000 0.479 252 V N 2.866 122.788 119.914 0.012 0.000 2.350 252 V HA 0.581 4.701 4.120 -0.001 0.000 0.285 252 V C -0.363 175.748 176.094 0.028 0.000 1.014 252 V CA -0.178 62.133 62.300 0.019 0.000 0.831 252 V CB 1.330 33.150 31.823 -0.005 0.000 1.000 252 V HN 0.848 nan 8.190 nan 0.000 0.433 253 V N 7.283 127.228 119.914 0.052 0.000 2.444 253 V HA 0.688 4.808 4.120 -0.001 0.000 0.294 253 V C -0.306 175.820 176.094 0.053 0.000 1.022 253 V CA -0.425 61.909 62.300 0.056 0.000 0.850 253 V CB 1.518 33.384 31.823 0.072 0.000 0.992 253 V HN 0.807 nan 8.190 nan 0.000 0.426 254 L N 1.614 122.869 121.223 0.053 0.000 2.600 254 L HA 0.844 5.184 4.340 -0.001 0.000 0.257 254 L C -1.702 175.202 176.870 0.056 0.000 1.048 254 L CA -0.760 54.108 54.840 0.048 0.000 0.869 254 L CB 2.786 44.869 42.059 0.040 0.000 1.482 254 L HN 0.362 nan 8.230 nan 0.000 0.408 255 D N 1.657 122.081 120.400 0.039 0.000 2.350 255 D HA 0.733 5.372 4.640 -0.001 0.000 0.245 255 D C -0.931 175.383 176.300 0.025 0.000 1.036 255 D CA -0.133 53.888 54.000 0.035 0.000 0.848 255 D CB 2.955 43.754 40.800 -0.002 0.000 1.307 255 D HN 0.455 nan 8.370 nan 0.000 0.469 256 L N 0.813 122.053 121.223 0.028 0.000 2.333 256 L HA 0.394 4.733 4.340 -0.001 0.000 0.263 256 L C -0.629 176.250 176.870 0.015 0.000 1.014 256 L CA -1.046 53.807 54.840 0.023 0.000 0.820 256 L CB 2.057 44.134 42.059 0.029 0.000 1.352 256 L HN 0.114 nan 8.230 nan 0.000 0.421 257 D N 2.869 123.276 120.400 0.012 0.000 2.349 257 D HA 0.630 5.270 4.640 -0.001 0.000 0.232 257 D C -0.773 175.534 176.300 0.011 0.000 1.071 257 D CA -0.002 54.003 54.000 0.009 0.000 0.832 257 D CB 1.993 42.796 40.800 0.005 0.000 1.086 257 D HN 0.188 nan 8.370 nan 0.000 0.504 258 L N 3.229 124.459 121.223 0.011 0.000 2.401 258 L HA 0.406 4.746 4.340 -0.001 0.000 0.266 258 L C -2.408 174.467 176.870 0.008 0.000 0.991 258 L CA -1.987 52.859 54.840 0.011 0.000 0.818 258 L CB 2.795 44.862 42.059 0.014 0.000 1.321 258 L HN 0.071 nan 8.230 nan 0.000 0.413 259 P HA 0.164 nan 4.420 nan 0.000 0.276 259 P C -0.674 176.628 177.300 0.003 0.000 1.235 259 P CA -0.228 62.875 63.100 0.004 0.000 0.772 259 P CB 1.212 32.913 31.700 0.003 0.000 0.871 260 A N 3.358 126.180 122.820 0.004 0.000 2.366 260 A HA 0.558 4.878 4.320 -0.001 0.000 0.249 260 A C 0.480 178.063 177.584 -0.000 0.000 1.084 260 A CA -0.112 51.927 52.037 0.003 0.000 0.794 260 A CB -0.027 18.976 19.000 0.006 0.000 1.034 260 A HN 0.644 nan 8.150 nan 0.000 0.491 261 A N 0.864 123.682 122.820 -0.003 0.000 2.261 261 A HA 0.650 4.969 4.320 -0.001 0.000 0.323 261 A C -0.036 177.545 177.584 -0.004 0.000 1.107 261 A CA -0.610 51.424 52.037 -0.006 0.000 0.883 261 A CB 0.116 19.109 19.000 -0.011 0.000 1.251 261 A HN 0.846 nan 8.150 nan 0.000 0.502 262 E N -0.228 119.969 120.200 -0.005 0.000 2.404 262 E HA 0.374 4.724 4.350 -0.001 0.000 0.261 262 E C 1.148 177.746 176.600 -0.003 0.000 1.074 262 E CA 0.605 57.003 56.400 -0.003 0.000 0.917 262 E CB 0.606 30.304 29.700 -0.004 0.000 0.965 262 E HN 0.665 nan 8.360 nan 0.000 0.433 263 A N 2.896 125.715 122.820 -0.002 0.000 1.969 263 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 263 A C 0.447 178.030 177.584 -0.002 0.000 1.169 263 A CA 1.144 53.180 52.037 -0.001 0.000 0.635 263 A CB -0.314 18.686 19.000 0.001 0.000 0.810 263 A HN 0.584 nan 8.150 nan 0.000 0.445 264 E N 1.081 121.279 120.200 -0.002 0.000 2.173 264 E HA 0.406 4.756 4.350 -0.001 0.000 0.249 264 E C -2.961 173.636 176.600 -0.005 0.000 0.923 264 E CA -2.087 54.311 56.400 -0.003 0.000 0.754 264 E CB 0.933 30.631 29.700 -0.002 0.000 1.177 264 E HN 0.313 nan 8.360 nan 0.000 0.430 265 P HA 0.420 nan 4.420 nan 0.000 0.281 265 P C -2.513 174.781 177.300 -0.009 0.000 1.281 265 P CA -1.672 61.422 63.100 -0.009 0.000 0.811 265 P CB -0.200 31.493 31.700 -0.013 0.000 1.154 266 P HA 0.358 nan 4.420 nan 0.000 0.274 266 P C -0.703 176.590 177.300 -0.012 0.000 1.237 266 P CA 0.109 63.203 63.100 -0.011 0.000 0.793 266 P CB 0.301 31.994 31.700 -0.012 0.000 0.977 267 T N -1.215 113.333 114.554 -0.009 0.000 2.864 267 T HA 0.740 5.089 4.350 -0.001 0.000 0.299 267 T C -0.119 174.577 174.700 -0.007 0.000 1.166 267 T CA -0.127 61.968 62.100 -0.009 0.000 1.007 267 T CB 1.731 70.596 68.868 -0.006 0.000 1.219 267 T HN 0.801 nan 8.240 nan 0.000 0.506 268 G N -0.074 108.723 108.800 -0.006 0.000 2.582 268 G HA2 0.025 3.985 3.960 -0.001 0.000 0.222 268 G HA3 0.025 3.985 3.960 -0.001 0.000 0.222 268 G C -0.686 174.211 174.900 -0.005 0.000 1.311 268 G CA -0.580 44.518 45.100 -0.003 0.000 0.915 268 G HN 1.040 nan 8.290 nan 0.000 0.528 269 V N 0.729 120.641 119.914 -0.002 0.000 2.599 269 V HA 0.350 4.469 4.120 -0.001 0.000 0.300 269 V C 1.459 177.548 176.094 -0.009 0.000 1.034 269 V CA 0.806 63.104 62.300 -0.003 0.000 1.115 269 V CB 0.793 32.617 31.823 0.002 0.000 0.934 269 V HN 0.920 nan 8.190 nan 0.000 0.485 270 V N 4.009 123.913 119.914 -0.016 0.000 6.997 270 V HA 0.264 4.383 4.120 -0.001 0.000 0.226 270 V C 1.122 177.206 176.094 -0.017 0.000 1.640 270 V CA -0.021 62.267 62.300 -0.020 0.000 0.738 270 V CB 0.075 31.880 31.823 -0.030 0.000 1.794 270 V HN 0.784 nan 8.190 nan 0.000 0.334 271 D N 0.132 120.516 120.400 -0.026 0.000 2.146 271 D HA -0.061 4.579 4.640 -0.001 0.000 0.209 271 D C 1.207 177.503 176.300 -0.006 0.000 0.973 271 D CA 1.158 55.149 54.000 -0.015 0.000 0.860 271 D CB 0.047 40.837 40.800 -0.017 0.000 1.015 271 D HN 0.481 nan 8.370 nan 0.000 0.465 272 D N -1.296 119.090 120.400 -0.024 0.000 2.358 272 D HA 0.204 4.844 4.640 -0.001 0.000 0.224 272 D C 0.513 176.829 176.300 0.027 0.000 1.123 272 D CA 0.165 54.176 54.000 0.019 0.000 0.833 272 D CB 0.199 41.020 40.800 0.036 0.000 0.946 272 D HN 0.264 nan 8.370 nan 0.000 0.505 273 G N 0.737 109.538 108.800 0.002 0.000 2.165 273 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.226 273 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.226 273 G C -0.040 174.861 174.900 0.002 0.000 1.035 273 G CA -0.115 44.992 45.100 0.012 0.000 0.744 273 G HN 0.301 nan 8.290 nan 0.000 0.501 274 L N 0.381 121.580 121.223 -0.039 0.000 2.265 274 L HA 0.503 4.842 4.340 -0.001 0.000 0.288 274 L C 1.189 178.045 176.870 -0.024 0.000 1.058 274 L CA -0.702 54.107 54.840 -0.052 0.000 0.809 274 L CB 1.130 43.115 42.059 -0.124 0.000 1.179 274 L HN 0.182 nan 8.230 nan 0.000 0.429 275 R N 3.681 124.181 120.500 -0.001 0.000 2.234 275 R HA 0.386 4.726 4.340 -0.001 0.000 0.324 275 R C -0.391 175.905 176.300 -0.008 0.000 1.054 275 R CA -0.586 55.515 56.100 0.002 0.000 0.912 275 R CB 0.556 30.867 30.300 0.019 0.000 1.030 275 R HN 0.568 nan 8.270 nan 0.000 0.455 276 I N 3.735 124.295 120.570 -0.017 0.000 2.578 276 I HA -0.082 4.087 4.170 -0.001 0.000 0.286 276 I C 0.151 176.257 176.117 -0.019 0.000 1.126 276 I CA 0.524 61.808 61.300 -0.028 0.000 1.380 276 I CB 0.298 38.281 38.000 -0.029 0.000 1.408 276 I HN 0.414 nan 8.210 nan 0.000 0.532 277 D N 7.549 127.935 120.400 -0.024 0.000 2.454 277 D HA 0.252 4.891 4.640 -0.001 0.000 0.225 277 D C -0.187 176.098 176.300 -0.026 0.000 1.081 277 D CA -0.463 53.531 54.000 -0.011 0.000 0.864 277 D CB 0.627 41.434 40.800 0.012 0.000 1.040 277 D HN 0.319 nan 8.370 nan 0.000 0.517 278 R N 2.466 122.953 120.500 -0.021 0.000 2.410 278 R HA 0.567 4.906 4.340 -0.001 0.000 0.288 278 R C -0.643 175.644 176.300 -0.021 0.000 1.051 278 R CA -0.975 55.108 56.100 -0.028 0.000 1.021 278 R CB 1.447 31.732 30.300 -0.025 0.000 1.032 278 R HN 0.347 nan 8.270 nan 0.000 0.481 279 L N 2.319 123.524 121.223 -0.031 0.000 2.409 279 L HA 0.378 4.717 4.340 -0.001 0.000 0.272 279 L C -1.335 175.505 176.870 -0.050 0.000 0.980 279 L CA -0.605 54.217 54.840 -0.029 0.000 0.826 279 L CB 2.192 44.236 42.059 -0.025 0.000 1.268 279 L HN 0.314 nan 8.230 nan 0.000 0.407 280 V N 7.158 127.048 119.914 -0.041 0.000 2.328 280 V HA 0.309 4.429 4.120 -0.001 0.000 0.278 280 V C 0.747 176.803 176.094 -0.064 0.000 1.021 280 V CA -0.092 62.177 62.300 -0.051 0.000 0.838 280 V CB 1.062 32.869 31.823 -0.026 0.000 0.999 280 V HN 0.848 nan 8.190 nan 0.000 0.447 281 I N 2.673 123.167 120.570 -0.126 0.000 2.556 281 I HA 0.094 4.263 4.170 -0.001 0.000 0.251 281 I C 0.750 176.825 176.117 -0.071 0.000 1.105 281 I CA 1.110 62.316 61.300 -0.157 0.000 1.436 281 I CB 0.384 38.155 38.000 -0.383 0.000 1.139 281 I HN 0.588 nan 8.210 nan 0.000 0.438 282 S N 0.168 115.811 115.700 -0.094 0.000 2.677 282 S HA 0.295 4.764 4.470 -0.001 0.000 0.283 282 S C 0.248 174.837 174.600 -0.017 0.000 1.159 282 S CA -0.725 57.461 58.200 -0.023 0.000 1.001 282 S CB 1.549 64.767 63.200 0.030 0.000 1.032 282 S HN 0.173 nan 8.310 nan 0.000 0.487 283 E N 1.491 121.694 120.200 0.005 0.000 2.170 283 E HA 0.050 4.399 4.350 -0.001 0.000 0.191 283 E C 0.052 176.663 176.600 0.019 0.000 0.981 283 E CA 0.421 56.824 56.400 0.005 0.000 0.830 283 E CB 0.345 30.049 29.700 0.006 0.000 0.775 283 E HN 0.582 nan 8.360 nan 0.000 0.470 284 E N 2.295 122.516 120.200 0.035 0.000 2.249 284 E HA 0.194 4.543 4.350 -0.001 0.000 0.280 284 E C -2.324 174.313 176.600 0.061 0.000 1.016 284 E CA -2.337 54.086 56.400 0.039 0.000 0.830 284 E CB 1.218 30.938 29.700 0.033 0.000 1.081 284 E HN -0.042 nan 8.360 nan 0.000 0.395 285 P HA 0.003 nan 4.420 nan 0.000 0.272 285 P C -0.280 177.024 177.300 0.007 0.000 1.223 285 P CA -0.413 62.711 63.100 0.040 0.000 0.784 285 P CB 0.475 32.188 31.700 0.021 0.000 0.923 286 L N 4.754 125.952 121.223 -0.041 0.000 2.461 286 L HA 0.222 4.561 4.340 -0.001 0.000 0.272 286 L C -1.771 175.049 176.870 -0.083 0.000 1.197 286 L CA -1.615 53.129 54.840 -0.160 0.000 0.836 286 L CB -0.813 41.045 42.059 -0.334 0.000 1.105 286 L HN 0.302 nan 8.230 nan 0.000 0.477 287 P HA 0.088 nan 4.420 nan 0.000 0.263 287 P C -0.892 176.423 177.300 0.026 0.000 1.247 287 P CA -0.237 62.839 63.100 -0.040 0.000 0.876 287 P CB 0.044 31.704 31.700 -0.068 0.000 0.928 288 A N 4.997 127.853 122.820 0.061 0.000 2.566 288 A HA 0.316 4.635 4.320 -0.001 0.000 0.245 288 A C 0.077 177.781 177.584 0.201 0.000 1.056 288 A CA 0.294 52.402 52.037 0.118 0.000 0.757 288 A CB -0.666 18.368 19.000 0.056 0.000 0.979 288 A HN 0.689 nan 8.150 nan 0.000 0.508 289 Y N -0.301 119.990 120.300 -0.015 0.000 2.974 289 Y HA 0.632 5.182 4.550 -0.001 0.000 0.310 289 Y C 0.016 175.920 175.900 0.006 0.000 1.526 289 Y CA -1.175 56.924 58.100 -0.001 0.000 1.087 289 Y CB 0.764 39.227 38.460 0.005 0.000 1.404 289 Y HN 0.522 nan 8.280 nan 0.000 0.491 290 E N 1.710 121.747 120.200 -0.273 0.000 1.985 290 E HA 0.354 4.704 4.350 -0.001 0.000 0.268 290 E C -0.663 175.669 176.600 -0.448 0.000 1.219 290 E CA -0.219 56.019 56.400 -0.270 0.000 0.942 290 E CB 0.117 29.764 29.700 -0.090 0.000 1.045 290 E HN 0.688 nan 8.360 nan 0.000 0.413 291 A N 5.204 127.832 122.820 -0.320 0.000 2.438 291 A HA 0.030 4.349 4.320 -0.001 0.000 0.280 291 A C 0.750 178.248 177.584 -0.143 0.000 1.160 291 A CA 0.030 51.920 52.037 -0.244 0.000 0.821 291 A CB 0.009 18.919 19.000 -0.149 0.000 1.101 291 A HN 0.865 nan 8.150 nan 0.000 0.515 292 E N 2.948 123.074 120.200 -0.123 0.000 2.441 292 E HA 0.160 4.509 4.350 -0.001 0.000 0.207 292 E C -0.242 176.342 176.600 -0.027 0.000 0.803 292 E CA -0.361 56.002 56.400 -0.062 0.000 1.240 292 E CB -0.083 29.586 29.700 -0.052 0.000 1.233 292 E HN 0.562 nan 8.360 nan 0.000 0.590 293 L N 2.043 123.255 121.223 -0.019 0.000 2.278 293 L HA 0.341 4.681 4.340 -0.001 0.000 0.287 293 L C 0.852 177.730 176.870 0.013 0.000 1.072 293 L CA -0.191 54.654 54.840 0.009 0.000 0.819 293 L CB 1.433 43.507 42.059 0.025 0.000 1.176 293 L HN 0.240 nan 8.230 nan 0.000 0.435 294 A N 2.555 125.387 122.820 0.021 0.000 2.044 294 A HA 0.408 4.728 4.320 -0.001 0.000 0.213 294 A C 1.582 179.190 177.584 0.040 0.000 1.169 294 A CA 0.933 52.986 52.037 0.027 0.000 0.724 294 A CB 0.043 19.060 19.000 0.029 0.000 0.840 294 A HN 0.986 nan 8.150 nan 0.000 0.463 295 G N -1.736 107.090 108.800 0.044 0.000 2.850 295 G HA2 0.310 4.270 3.960 -0.001 0.000 0.207 295 G HA3 0.310 4.270 3.960 -0.001 0.000 0.207 295 G C 1.436 176.369 174.900 0.055 0.000 1.302 295 G CA 0.521 45.649 45.100 0.047 0.000 0.832 295 G HN 2.396 nan 8.290 nan 0.000 0.543 296 G N -0.765 108.079 108.800 0.073 0.000 2.999 296 G HA2 0.219 4.178 3.960 -0.001 0.000 0.686 296 G HA3 0.219 4.178 3.960 -0.001 0.000 0.686 296 G C -0.536 174.437 174.900 0.122 0.000 1.057 296 G CA 0.362 45.520 45.100 0.096 0.000 0.784 296 G HN 1.869 nan 8.290 nan 0.000 0.575 297 Y N 2.786 123.101 120.300 0.025 0.000 2.477 297 Y HA 0.582 5.131 4.550 -0.001 0.000 0.349 297 Y C 0.855 176.772 175.900 0.029 0.000 0.977 297 Y CA 0.231 58.346 58.100 0.025 0.000 1.214 297 Y CB 0.476 38.949 38.460 0.021 0.000 1.124 297 Y HN 1.134 nan 8.280 nan 0.000 0.521 298 A N 4.470 127.285 122.820 -0.008 0.000 2.425 298 A HA 0.193 4.513 4.320 -0.001 0.000 0.242 298 A C -0.242 177.400 177.584 0.096 0.000 1.077 298 A CA -0.569 51.490 52.037 0.037 0.000 0.781 298 A CB 0.089 19.079 19.000 -0.016 0.000 1.020 298 A HN 0.752 nan 8.150 nan 0.000 0.494 299 D N 1.599 122.071 120.400 0.119 0.000 2.425 299 D HA 0.176 4.816 4.640 -0.001 0.000 0.247 299 D C 0.234 176.608 176.300 0.124 0.000 1.147 299 D CA 0.436 54.523 54.000 0.145 0.000 0.879 299 D CB 0.432 41.301 40.800 0.116 0.000 1.179 299 D HN 0.293 nan 8.370 nan 0.000 0.456 300 R N 2.175 122.769 120.500 0.157 0.000 2.389 300 R HA 0.264 4.604 4.340 -0.001 0.000 0.295 300 R C 0.053 176.422 176.300 0.115 0.000 1.075 300 R CA -0.486 55.691 56.100 0.128 0.000 1.005 300 R CB 0.382 30.774 30.300 0.154 0.000 0.987 300 R HN 0.380 nan 8.270 nan 0.000 0.452 301 L N 3.288 124.577 121.223 0.110 0.000 2.439 301 L HA 0.085 4.424 4.340 -0.001 0.000 0.269 301 L C 1.170 178.091 176.870 0.084 0.000 1.179 301 L CA -0.296 54.607 54.840 0.106 0.000 0.828 301 L CB 0.278 42.404 42.059 0.113 0.000 1.106 301 L HN 0.587 nan 8.230 nan 0.000 0.467 302 D N 1.834 122.275 120.400 0.069 0.000 2.383 302 D HA 0.152 4.792 4.640 -0.001 0.000 0.248 302 D C 0.837 177.124 176.300 -0.022 0.000 1.170 302 D CA -0.172 53.855 54.000 0.045 0.000 0.977 302 D CB 1.404 42.248 40.800 0.074 0.000 1.120 302 D HN 0.551 nan 8.370 nan 0.000 0.481 303 A N 0.954 123.765 122.820 -0.015 0.000 1.917 303 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 303 A C 1.671 179.180 177.584 -0.126 0.000 1.182 303 A CA 1.840 53.862 52.037 -0.025 0.000 0.633 303 A CB -0.513 18.490 19.000 0.004 0.000 0.819 303 A HN 0.647 nan 8.150 nan 0.000 0.448 304 D N -0.995 119.250 120.400 -0.259 0.000 2.123 304 D HA -0.129 4.511 4.640 -0.001 0.000 0.200 304 D C 1.906 177.674 176.300 -0.886 0.000 0.976 304 D CA 1.422 55.107 54.000 -0.525 0.000 0.831 304 D CB -0.361 40.053 40.800 -0.644 0.000 0.974 304 D HN 0.740 nan 8.370 nan 0.000 0.469 305 E N 0.965 120.612 120.200 -0.921 0.000 2.077 305 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 305 E C 1.967 178.343 176.600 -0.374 0.000 0.989 305 E CA 0.783 56.714 56.400 -0.782 0.000 0.800 305 E CB 0.142 29.727 29.700 -0.191 0.000 0.746 305 E HN 0.238 nan 8.360 nan 0.000 0.452 306 E N -0.131 119.940 120.200 -0.215 0.000 2.038 306 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 306 E C 2.096 178.509 176.600 -0.312 0.000 1.000 306 E CA 1.623 57.954 56.400 -0.115 0.000 0.803 306 E CB 0.090 29.839 29.700 0.082 0.000 0.750 306 E HN 0.165 nan 8.360 nan 0.000 0.448 307 V N 0.358 120.165 119.914 -0.178 0.000 2.343 307 V HA -0.254 3.865 4.120 -0.001 0.000 0.247 307 V C 2.137 178.085 176.094 -0.243 0.000 1.051 307 V CA 2.033 64.258 62.300 -0.126 0.000 1.036 307 V CB -0.702 31.102 31.823 -0.031 0.000 0.654 307 V HN 0.401 nan 8.190 nan 0.000 0.451 308 Y N 1.226 121.289 120.300 -0.396 0.000 2.224 308 Y HA -0.239 4.311 4.550 -0.001 0.000 0.289 308 Y C 2.772 178.472 175.900 -0.333 0.000 1.146 308 Y CA 1.851 59.756 58.100 -0.326 0.000 1.182 308 Y CB -0.148 38.073 38.460 -0.398 0.000 0.983 308 Y HN 0.235 nan 8.280 nan 0.000 0.524 309 S N 0.086 115.563 115.700 -0.372 0.000 2.368 309 S HA -0.234 4.236 4.470 -0.001 0.000 0.225 309 S C 2.293 176.392 174.600 -0.835 0.000 1.030 309 S CA 1.011 58.876 58.200 -0.559 0.000 0.999 309 S CB -0.845 61.919 63.200 -0.725 0.000 0.844 309 S HN 0.606 nan 8.310 nan 0.000 0.459 310 A N 1.860 123.986 122.820 -1.156 0.000 1.883 310 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 310 A C 2.144 179.531 177.584 -0.329 0.000 1.186 310 A CA 1.335 52.904 52.037 -0.780 0.000 0.624 310 A CB -0.878 17.760 19.000 -0.604 0.000 0.822 310 A HN 0.455 nan 8.150 nan 0.000 0.444 311 L N -0.629 120.401 121.223 -0.321 0.000 2.046 311 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 311 L C 2.539 179.279 176.870 -0.216 0.000 1.077 311 L CA 1.137 55.837 54.840 -0.233 0.000 0.747 311 L CB -0.721 41.155 42.059 -0.306 0.000 0.896 311 L HN 0.258 nan 8.230 nan 0.000 0.432 312 V N -0.608 119.126 119.914 -0.301 0.000 2.270 312 V HA -0.235 3.885 4.120 -0.001 0.000 0.245 312 V C 2.450 178.487 176.094 -0.096 0.000 1.043 312 V CA 1.525 63.710 62.300 -0.193 0.000 1.014 312 V CB -0.197 31.533 31.823 -0.155 0.000 0.645 312 V HN 0.170 nan 8.190 nan 0.000 0.447 313 V N 0.888 120.746 119.914 -0.094 0.000 2.332 313 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 313 V C 2.608 178.716 176.094 0.023 0.000 1.055 313 V CA 2.207 64.509 62.300 0.003 0.000 1.038 313 V CB -1.448 30.422 31.823 0.078 0.000 0.651 313 V HN 0.628 nan 8.190 nan 0.000 0.450 314 G N -0.135 108.674 108.800 0.015 0.000 2.459 314 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.217 314 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.217 314 G C 1.567 176.431 174.900 -0.061 0.000 1.183 314 G CA 1.255 46.391 45.100 0.060 0.000 0.776 314 G HN 0.430 nan 8.290 nan 0.000 0.552 315 L N 0.691 121.869 121.223 -0.075 0.000 2.017 315 L HA 0.044 4.383 4.340 -0.001 0.000 0.208 315 L C 2.748 179.536 176.870 -0.137 0.000 1.073 315 L CA 2.313 57.035 54.840 -0.196 0.000 0.745 315 L CB -0.747 41.278 42.059 -0.057 0.000 0.894 315 L HN 0.252 nan 8.230 nan 0.000 0.432 316 R N -0.692 119.777 120.500 -0.052 0.000 2.103 316 R HA -0.204 4.135 4.340 -0.001 0.000 0.242 316 R C 2.104 178.404 176.300 0.000 0.000 1.142 316 R CA 1.595 57.690 56.100 -0.008 0.000 0.960 316 R CB -0.394 29.918 30.300 0.019 0.000 0.858 316 R HN 0.545 nan 8.270 nan 0.000 0.439 317 A N -0.305 122.518 122.820 0.005 0.000 1.898 317 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 317 A C 2.008 179.591 177.584 -0.001 0.000 1.181 317 A CA 1.218 53.273 52.037 0.030 0.000 0.620 317 A CB -0.850 18.195 19.000 0.075 0.000 0.819 317 A HN 0.591 nan 8.150 nan 0.000 0.442 318 Y N 0.280 120.441 120.300 -0.232 0.000 2.333 318 Y HA -0.145 4.405 4.550 -0.001 0.000 0.290 318 Y C 2.271 178.044 175.900 -0.212 0.000 1.144 318 Y CA 1.660 59.577 58.100 -0.305 0.000 1.228 318 Y CB 0.064 38.073 38.460 -0.751 0.000 0.985 318 Y HN 0.106 nan 8.280 nan 0.000 0.542 319 V N -0.490 119.383 119.914 -0.068 0.000 2.273 319 V HA -0.231 3.889 4.120 -0.001 0.000 0.242 319 V C 2.520 178.638 176.094 0.040 0.000 1.035 319 V CA 1.649 63.939 62.300 -0.018 0.000 1.013 319 V CB -1.377 30.469 31.823 0.038 0.000 0.652 319 V HN 0.460 nan 8.190 nan 0.000 0.452 320 A N 0.251 123.090 122.820 0.032 0.000 1.855 320 A HA -0.170 4.149 4.320 -0.001 0.000 0.215 320 A C 2.206 179.811 177.584 0.035 0.000 1.191 320 A CA 1.628 53.694 52.037 0.050 0.000 0.613 320 A CB -0.440 18.589 19.000 0.048 0.000 0.829 320 A HN 0.505 nan 8.150 nan 0.000 0.442 321 K N 0.079 120.485 120.400 0.010 0.000 2.360 321 K HA -0.056 4.264 4.320 -0.001 0.000 0.201 321 K C 0.454 177.044 176.600 -0.017 0.000 1.046 321 K CA 0.933 57.222 56.287 0.004 0.000 0.945 321 K CB -0.243 32.263 32.500 0.009 0.000 0.750 321 K HN 0.368 nan 8.250 nan 0.000 0.464 322 N N 0.321 118.998 118.700 -0.039 0.000 2.314 322 N HA 0.013 4.752 4.740 -0.001 0.000 0.200 322 N C 0.686 176.289 175.510 0.155 0.000 1.135 322 N CA 0.664 53.712 53.050 -0.003 0.000 0.835 322 N CB 1.033 39.414 38.487 -0.176 0.000 0.989 322 N HN 0.377 nan 8.380 nan 0.000 0.478 323 G N 0.562 109.420 108.800 0.097 0.000 2.147 323 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.244 323 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.244 323 G C -0.117 174.763 174.900 -0.032 0.000 1.005 323 G CA -0.090 45.024 45.100 0.023 0.000 0.713 323 G HN 0.287 nan 8.290 nan 0.000 0.515 324 F N -1.574 118.354 119.950 -0.038 0.000 2.450 324 F HA 0.753 5.280 4.527 -0.001 0.000 0.328 324 F C 1.515 177.323 175.800 0.013 0.000 1.068 324 F CA -0.788 57.203 58.000 -0.014 0.000 1.007 324 F CB 1.555 40.546 39.000 -0.015 0.000 1.251 324 F HN -0.077 nan 8.300 nan 0.000 0.492 325 R N -0.411 120.222 120.500 0.221 0.000 2.383 325 R HA 0.196 4.535 4.340 -0.001 0.000 0.205 325 R C -0.516 175.913 176.300 0.215 0.000 0.875 325 R CA 0.398 56.598 56.100 0.166 0.000 1.039 325 R CB 0.611 30.976 30.300 0.108 0.000 1.267 325 R HN 0.687 nan 8.270 nan 0.000 0.635 326 S N -0.409 115.467 115.700 0.292 0.000 2.599 326 S HA 0.648 5.118 4.470 -0.001 0.000 0.287 326 S C -0.504 174.270 174.600 0.290 0.000 1.105 326 S CA -0.699 57.692 58.200 0.318 0.000 0.899 326 S CB 2.158 65.610 63.200 0.421 0.000 1.100 326 S HN 0.010 nan 8.310 nan 0.000 0.482 327 V N -0.758 119.269 119.914 0.190 0.000 3.001 327 V HA 0.882 5.001 4.120 -0.001 0.000 0.314 327 V C -1.132 174.976 176.094 0.024 0.000 1.099 327 V CA -1.015 61.355 62.300 0.117 0.000 0.989 327 V CB 1.419 33.295 31.823 0.088 0.000 1.040 327 V HN 0.948 nan 8.190 nan 0.000 0.434 328 L N 3.549 124.800 121.223 0.046 0.000 2.325 328 L HA 0.743 5.083 4.340 -0.001 0.000 0.281 328 L C -0.818 176.082 176.870 0.051 0.000 1.004 328 L CA -0.168 54.689 54.840 0.028 0.000 0.823 328 L CB 1.107 43.213 42.059 0.078 0.000 1.236 328 L HN 0.714 nan 8.230 nan 0.000 0.415 329 I N 4.562 125.165 120.570 0.055 0.000 2.436 329 I HA 0.495 4.664 4.170 -0.001 0.000 0.289 329 I C 0.691 176.843 176.117 0.058 0.000 1.010 329 I CA -0.659 60.674 61.300 0.054 0.000 1.098 329 I CB 1.911 39.946 38.000 0.058 0.000 1.266 329 I HN 0.710 nan 8.210 nan 0.000 0.434 330 G N 6.909 115.738 108.800 0.048 0.000 2.406 330 G HA2 0.550 4.510 3.960 -0.001 0.000 0.251 330 G HA3 0.550 4.510 3.960 -0.001 0.000 0.251 330 G C -0.570 174.369 174.900 0.065 0.000 1.271 330 G CA -0.356 44.772 45.100 0.047 0.000 0.859 330 G HN 0.491 nan 8.290 nan 0.000 0.540 331 L N 2.267 123.541 121.223 0.084 0.000 2.343 331 L HA 0.338 4.677 4.340 -0.001 0.000 0.278 331 L C 0.748 177.681 176.870 0.105 0.000 0.996 331 L CA -0.668 54.240 54.840 0.114 0.000 0.831 331 L CB 2.182 44.357 42.059 0.195 0.000 1.232 331 L HN 0.684 nan 8.230 nan 0.000 0.413 332 S N -0.361 115.389 115.700 0.084 0.000 2.701 332 S HA 0.391 4.861 4.470 -0.001 0.000 0.242 332 S C 1.089 175.737 174.600 0.079 0.000 1.025 332 S CA 0.209 58.452 58.200 0.072 0.000 1.016 332 S CB 1.111 64.343 63.200 0.054 0.000 0.977 332 S HN 1.013 nan 8.310 nan 0.000 0.546 333 G N 1.114 109.966 108.800 0.088 0.000 2.345 333 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.218 333 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.218 333 G C 0.672 175.630 174.900 0.096 0.000 1.058 333 G CA -0.177 44.981 45.100 0.097 0.000 0.632 333 G HN 1.189 nan 8.290 nan 0.000 0.508 334 G N -0.011 108.843 108.800 0.090 0.000 2.647 334 G HA2 0.394 4.354 3.960 -0.001 0.000 0.234 334 G HA3 0.394 4.354 3.960 -0.001 0.000 0.234 334 G C 1.145 176.079 174.900 0.056 0.000 1.252 334 G CA 0.412 45.560 45.100 0.079 0.000 0.846 334 G HN 0.906 nan 8.290 nan 0.000 0.589 335 I N 0.071 120.665 120.570 0.039 0.000 2.315 335 I HA -0.078 4.092 4.170 -0.001 0.000 0.248 335 I C 1.976 178.066 176.117 -0.046 0.000 1.117 335 I CA 1.437 62.737 61.300 0.001 0.000 1.404 335 I CB -0.222 37.754 38.000 -0.040 0.000 1.071 335 I HN 0.480 nan 8.210 nan 0.000 0.419 336 D N 0.082 120.442 120.400 -0.068 0.000 2.097 336 D HA -0.168 4.472 4.640 -0.001 0.000 0.195 336 D C 2.499 178.793 176.300 -0.009 0.000 0.989 336 D CA 1.864 55.827 54.000 -0.060 0.000 0.827 336 D CB -0.553 40.211 40.800 -0.059 0.000 0.966 336 D HN 0.505 nan 8.370 nan 0.000 0.456 337 S N 0.551 116.260 115.700 0.015 0.000 2.399 337 S HA -0.068 4.401 4.470 -0.001 0.000 0.231 337 S C 2.114 176.739 174.600 0.043 0.000 1.022 337 S CA 1.170 59.391 58.200 0.035 0.000 0.983 337 S CB -0.333 62.897 63.200 0.050 0.000 0.803 337 S HN 0.264 nan 8.310 nan 0.000 0.480 338 A N 1.605 124.449 122.820 0.041 0.000 1.897 338 A HA 0.210 4.529 4.320 -0.001 0.000 0.215 338 A C 2.191 179.811 177.584 0.059 0.000 1.181 338 A CA 1.283 53.349 52.037 0.049 0.000 0.620 338 A CB -0.766 18.263 19.000 0.048 0.000 0.821 338 A HN 0.492 nan 8.150 nan 0.000 0.443 339 L N -0.122 121.133 121.223 0.054 0.000 2.093 339 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 339 L C 2.324 179.238 176.870 0.073 0.000 1.085 339 L CA 1.611 56.502 54.840 0.085 0.000 0.755 339 L CB -0.461 41.636 42.059 0.064 0.000 0.904 339 L HN 0.136 nan 8.230 nan 0.000 0.435 340 V N 0.136 120.073 119.914 0.037 0.000 2.295 340 V HA -0.311 3.808 4.120 -0.001 0.000 0.246 340 V C 2.814 178.934 176.094 0.043 0.000 1.049 340 V CA 1.685 64.001 62.300 0.027 0.000 1.024 340 V CB -1.341 30.497 31.823 0.024 0.000 0.648 340 V HN 0.605 nan 8.190 nan 0.000 0.447 341 A N 0.001 122.853 122.820 0.053 0.000 1.883 341 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 341 A C 2.443 180.067 177.584 0.067 0.000 1.186 341 A CA 2.385 54.456 52.037 0.056 0.000 0.624 341 A CB -0.912 18.121 19.000 0.055 0.000 0.822 341 A HN 0.601 nan 8.150 nan 0.000 0.444 342 A N -0.180 122.696 122.820 0.093 0.000 1.883 342 A HA -0.120 4.200 4.320 -0.001 0.000 0.217 342 A C 2.135 179.831 177.584 0.186 0.000 1.186 342 A CA 1.675 53.798 52.037 0.143 0.000 0.624 342 A CB -0.643 18.472 19.000 0.190 0.000 0.822 342 A HN 0.518 nan 8.150 nan 0.000 0.444 343 I N -0.305 120.339 120.570 0.125 0.000 2.252 343 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 343 I C 2.958 179.079 176.117 0.006 0.000 1.102 343 I CA 1.010 62.300 61.300 -0.017 0.000 1.385 343 I CB -0.343 37.544 38.000 -0.188 0.000 1.064 343 I HN 0.339 nan 8.210 nan 0.000 0.414 344 A N -0.101 122.734 122.820 0.026 0.000 1.908 344 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 344 A C 2.424 180.035 177.584 0.045 0.000 1.181 344 A CA 1.958 54.015 52.037 0.033 0.000 0.627 344 A CB -1.270 17.755 19.000 0.042 0.000 0.818 344 A HN 0.558 nan 8.150 nan 0.000 0.445 345 C N -0.435 118.897 119.300 0.054 0.000 2.440 345 C HA -0.058 4.401 4.460 -0.001 0.000 0.278 345 C C 2.259 177.288 174.990 0.064 0.000 1.295 345 C CA 0.943 59.991 59.018 0.050 0.000 1.738 345 C CB -1.059 26.708 27.740 0.045 0.000 1.987 345 C HN 0.592 nan 8.230 nan 0.000 0.492 346 D N 0.911 121.367 120.400 0.094 0.000 2.183 346 D HA -0.028 4.612 4.640 -0.001 0.000 0.203 346 D C 2.237 178.584 176.300 0.078 0.000 0.969 346 D CA 1.482 55.549 54.000 0.113 0.000 0.842 346 D CB -0.320 40.607 40.800 0.212 0.000 0.957 346 D HN 0.518 nan 8.370 nan 0.000 0.484 347 A N 0.169 123.020 122.820 0.051 0.000 1.898 347 A HA 0.042 4.362 4.320 -0.001 0.000 0.214 347 A C 2.115 179.726 177.584 0.045 0.000 1.183 347 A CA 0.710 52.768 52.037 0.035 0.000 0.622 347 A CB -0.225 18.780 19.000 0.008 0.000 0.824 347 A HN 0.193 nan 8.150 nan 0.000 0.444 348 L N -1.671 119.581 121.223 0.050 0.000 2.731 348 L HA 0.396 4.735 4.340 -0.001 0.000 0.240 348 L C 0.905 177.808 176.870 0.055 0.000 1.120 348 L CA 0.264 55.138 54.840 0.058 0.000 0.913 348 L CB 0.138 42.240 42.059 0.071 0.000 1.213 348 L HN 0.549 nan 8.230 nan 0.000 0.515 349 G N 0.183 109.011 108.800 0.046 0.000 2.777 349 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.686 349 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.686 349 G C 0.586 175.498 174.900 0.020 0.000 1.177 349 G CA -0.291 44.830 45.100 0.035 0.000 0.775 349 G HN 0.148 nan 8.290 nan 0.000 0.613 350 A N 1.241 124.063 122.820 0.004 0.000 2.070 350 A HA 0.010 4.330 4.320 -0.001 0.000 0.220 350 A C 2.322 179.863 177.584 -0.072 0.000 1.159 350 A CA 2.335 54.358 52.037 -0.024 0.000 0.656 350 A CB -0.346 18.640 19.000 -0.023 0.000 0.800 350 A HN 1.141 nan 8.150 nan 0.000 0.453 351 Q N 0.450 120.218 119.800 -0.054 0.000 2.124 351 Q HA -0.089 4.250 4.340 -0.001 0.000 0.202 351 Q C 1.085 177.015 176.000 -0.116 0.000 0.977 351 Q CA 1.444 57.197 55.803 -0.084 0.000 0.850 351 Q CB -0.339 28.390 28.738 -0.015 0.000 0.901 351 Q HN 0.587 nan 8.270 nan 0.000 0.429 352 N N 0.477 119.177 118.700 -0.001 0.000 2.370 352 N HA 0.082 4.821 4.740 -0.001 0.000 0.198 352 N C -0.934 174.658 175.510 0.137 0.000 1.156 352 N CA 0.195 53.328 53.050 0.139 0.000 0.839 352 N CB 0.871 39.449 38.487 0.152 0.000 0.989 352 N HN 0.040 nan 8.380 nan 0.000 0.468 353 V N 1.302 121.172 119.914 -0.073 0.000 2.448 353 V HA 0.334 4.453 4.120 -0.001 0.000 0.295 353 V C -0.935 175.027 176.094 -0.221 0.000 1.025 353 V CA -0.688 61.592 62.300 -0.033 0.000 0.859 353 V CB 0.989 32.800 31.823 -0.019 0.000 0.988 353 V HN 0.048 nan 8.190 nan 0.000 0.431 354 Y N 2.387 122.611 120.300 -0.127 0.000 2.338 354 Y HA 0.691 5.241 4.550 -0.001 0.000 0.328 354 Y C 0.750 176.612 175.900 -0.063 0.000 0.965 354 Y CA -0.565 57.451 58.100 -0.139 0.000 1.208 354 Y CB 2.191 40.426 38.460 -0.374 0.000 1.132 354 Y HN 0.732 nan 8.280 nan 0.000 0.469 355 G N 1.810 110.678 108.800 0.113 0.000 2.371 355 G HA2 0.606 4.565 3.960 -0.001 0.000 0.326 355 G HA3 0.606 4.565 3.960 -0.001 0.000 0.326 355 G C -1.496 173.433 174.900 0.048 0.000 1.127 355 G CA -0.675 44.506 45.100 0.135 0.000 0.885 355 G HN 0.402 nan 8.290 nan 0.000 0.477 356 V N 0.996 120.915 119.914 0.008 0.000 2.524 356 V HA 0.409 4.529 4.120 -0.001 0.000 0.297 356 V C 0.130 176.179 176.094 -0.075 0.000 1.035 356 V CA -0.894 61.334 62.300 -0.120 0.000 0.867 356 V CB 1.529 33.317 31.823 -0.057 0.000 1.004 356 V HN 0.786 nan 8.190 nan 0.000 0.426 357 S N 5.913 121.508 115.700 -0.174 0.000 2.489 357 S HA 0.627 5.096 4.470 -0.001 0.000 0.277 357 S C -0.168 174.405 174.600 -0.045 0.000 1.230 357 S CA -0.409 57.781 58.200 -0.017 0.000 1.053 357 S CB 0.267 63.532 63.200 0.107 0.000 0.955 357 S HN 0.665 nan 8.310 nan 0.000 0.488 358 M N 7.012 126.607 119.600 -0.008 0.000 2.386 358 M HA 0.322 4.802 4.480 -0.001 0.000 0.245 358 M C -2.581 173.709 176.300 -0.017 0.000 0.982 358 M CA -1.810 53.481 55.300 -0.015 0.000 0.860 358 M CB 1.477 34.074 32.600 -0.006 0.000 1.371 358 M HN 0.381 nan 8.290 nan 0.000 0.425 359 P HA 0.323 nan 4.420 nan 0.000 0.281 359 P C -0.462 176.796 177.300 -0.071 0.000 1.249 359 P CA -0.337 62.740 63.100 -0.039 0.000 0.810 359 P CB 1.214 32.898 31.700 -0.027 0.000 1.008 360 S N 1.254 116.886 115.700 -0.114 0.000 2.667 360 S HA 0.317 4.786 4.470 -0.001 0.000 0.292 360 S C 1.294 175.743 174.600 -0.252 0.000 1.108 360 S CA -0.566 57.510 58.200 -0.207 0.000 0.992 360 S CB 0.548 63.575 63.200 -0.287 0.000 1.269 360 S HN 0.473 nan 8.310 nan 0.000 0.528 361 K N -0.145 119.992 120.400 -0.438 0.000 2.097 361 K HA -0.111 4.209 4.320 -0.001 0.000 0.206 361 K C -0.174 176.082 176.600 -0.574 0.000 1.049 361 K CA 1.254 57.197 56.287 -0.574 0.000 0.933 361 K CB -0.586 31.395 32.500 -0.866 0.000 0.717 361 K HN 0.743 nan 8.250 nan 0.000 0.442 362 Y N 1.469 121.699 120.300 -0.118 0.000 2.658 362 Y HA 0.347 4.896 4.550 -0.001 0.000 0.362 362 Y C -0.500 175.346 175.900 -0.090 0.000 1.017 362 Y CA -1.015 57.034 58.100 -0.084 0.000 1.134 362 Y CB 1.372 39.791 38.460 -0.069 0.000 1.144 362 Y HN -0.094 nan 8.280 nan 0.000 0.655 363 S N 1.812 117.508 115.700 -0.006 0.000 2.433 363 S HA 0.398 4.868 4.470 -0.001 0.000 0.310 363 S C 0.228 174.789 174.600 -0.064 0.000 1.097 363 S CA -0.717 57.459 58.200 -0.039 0.000 1.103 363 S CB 0.492 63.657 63.200 -0.058 0.000 0.992 363 S HN 0.654 nan 8.310 nan 0.000 0.469 364 S N 3.636 119.255 115.700 -0.135 0.000 2.596 364 S HA 0.182 4.651 4.470 -0.001 0.000 0.260 364 S C 0.564 174.989 174.600 -0.291 0.000 1.336 364 S CA -0.294 57.747 58.200 -0.264 0.000 0.993 364 S CB 0.345 63.222 63.200 -0.538 0.000 0.923 364 S HN 0.721 nan 8.310 nan 0.000 0.567 365 D N 0.504 120.743 120.400 -0.268 0.000 2.234 365 D HA -0.088 4.552 4.640 -0.001 0.000 0.205 365 D C 1.836 178.086 176.300 -0.082 0.000 0.962 365 D CA 1.256 55.189 54.000 -0.113 0.000 0.855 365 D CB -0.443 40.347 40.800 -0.017 0.000 0.951 365 D HN 0.862 nan 8.370 nan 0.000 0.500 366 H N 0.549 119.637 119.070 0.029 0.000 2.428 366 H HA 0.104 4.659 4.556 -0.001 0.000 0.296 366 H C 1.797 177.146 175.328 0.035 0.000 1.062 366 H CA 0.810 56.875 56.048 0.028 0.000 1.350 366 H CB -0.335 29.444 29.762 0.027 0.000 1.403 366 H HN -0.083 nan 8.280 nan 0.000 0.533 367 S N 1.594 117.234 115.700 -0.100 0.000 2.359 367 S HA -0.149 4.320 4.470 -0.001 0.000 0.222 367 S C 2.066 176.689 174.600 0.039 0.000 1.038 367 S CA 1.597 59.795 58.200 -0.004 0.000 1.051 367 S CB -0.117 63.048 63.200 -0.058 0.000 0.944 367 S HN 0.450 nan 8.310 nan 0.000 0.433 368 K N 0.734 121.146 120.400 0.020 0.000 2.057 368 K HA -0.010 4.309 4.320 -0.001 0.000 0.206 368 K C 2.474 179.110 176.600 0.060 0.000 1.050 368 K CA 1.071 57.401 56.287 0.072 0.000 0.935 368 K CB -0.621 31.912 32.500 0.055 0.000 0.715 368 K HN 0.419 nan 8.250 nan 0.000 0.439 369 G N 1.523 110.345 108.800 0.036 0.000 2.421 369 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 369 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 369 G C 1.082 175.981 174.900 -0.001 0.000 1.171 369 G CA 1.040 46.152 45.100 0.020 0.000 0.775 369 G HN 0.212 nan 8.290 nan 0.000 0.543 370 D N 0.832 121.251 120.400 0.033 0.000 2.234 370 D HA 0.049 4.689 4.640 -0.001 0.000 0.205 370 D C 2.788 179.081 176.300 -0.012 0.000 0.962 370 D CA 0.886 54.898 54.000 0.020 0.000 0.855 370 D CB -0.077 40.760 40.800 0.062 0.000 0.951 370 D HN 0.316 nan 8.370 nan 0.000 0.500 371 A N 1.420 124.244 122.820 0.008 0.000 1.902 371 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 371 A C 2.348 179.760 177.584 -0.286 0.000 1.181 371 A CA 1.939 53.981 52.037 0.008 0.000 0.623 371 A CB -0.531 18.583 19.000 0.191 0.000 0.818 371 A HN 0.229 nan 8.150 nan 0.000 0.443 372 A N -0.789 121.803 122.820 -0.380 0.000 1.898 372 A HA -0.116 4.204 4.320 -0.001 0.000 0.216 372 A C 2.006 179.340 177.584 -0.416 0.000 1.181 372 A CA 1.619 53.248 52.037 -0.681 0.000 0.620 372 A CB -0.448 18.348 19.000 -0.341 0.000 0.819 372 A HN 0.435 nan 8.150 nan 0.000 0.442 373 E N -0.289 119.781 120.200 -0.216 0.000 2.033 373 E HA -0.230 4.119 4.350 -0.001 0.000 0.199 373 E C 2.000 178.518 176.600 -0.137 0.000 1.011 373 E CA 1.560 57.879 56.400 -0.135 0.000 0.815 373 E CB -0.606 29.052 29.700 -0.070 0.000 0.755 373 E HN 0.479 nan 8.360 nan 0.000 0.451 374 L N 0.877 122.025 121.223 -0.125 0.000 2.021 374 L HA -0.238 4.102 4.340 -0.001 0.000 0.215 374 L C 2.254 179.060 176.870 -0.107 0.000 1.074 374 L CA 2.569 57.358 54.840 -0.086 0.000 0.760 374 L CB -0.778 41.252 42.059 -0.047 0.000 0.889 374 L HN 0.110 nan 8.230 nan 0.000 0.433 375 A N -0.834 121.865 122.820 -0.201 0.000 1.933 375 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 375 A C 2.429 179.941 177.584 -0.121 0.000 1.175 375 A CA 1.815 53.749 52.037 -0.171 0.000 0.628 375 A CB -0.509 18.294 19.000 -0.330 0.000 0.814 375 A HN 0.538 nan 8.150 nan 0.000 0.444 376 R N -0.466 119.950 120.500 -0.140 0.000 2.075 376 R HA -0.059 4.281 4.340 -0.001 0.000 0.226 376 R C 1.812 178.075 176.300 -0.063 0.000 1.114 376 R CA 1.349 57.395 56.100 -0.091 0.000 0.972 376 R CB -0.206 30.038 30.300 -0.093 0.000 0.869 376 R HN 0.688 nan 8.270 nan 0.000 0.437 377 R N -0.173 120.289 120.500 -0.062 0.000 2.423 377 R HA 0.168 4.507 4.340 -0.001 0.000 0.248 377 R C 0.408 176.686 176.300 -0.036 0.000 1.019 377 R CA 0.554 56.627 56.100 -0.045 0.000 1.119 377 R CB 0.423 30.698 30.300 -0.043 0.000 1.176 377 R HN -0.063 nan 8.270 nan 0.000 0.526 378 T N -1.059 113.472 114.554 -0.037 0.000 3.313 378 T HA 0.256 4.606 4.350 -0.001 0.000 0.266 378 T C 0.988 175.671 174.700 -0.028 0.000 0.987 378 T CA 0.522 62.606 62.100 -0.026 0.000 1.086 378 T CB 0.867 69.722 68.868 -0.021 0.000 1.159 378 T HN 0.443 nan 8.240 nan 0.000 0.450 379 G N 2.061 110.839 108.800 -0.037 0.000 2.138 379 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.193 379 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.193 379 G C -0.058 174.807 174.900 -0.058 0.000 0.998 379 G CA 0.052 45.129 45.100 -0.040 0.000 0.668 379 G HN 0.653 nan 8.290 nan 0.000 0.516 380 L N -1.166 120.023 121.223 -0.056 0.000 2.453 380 L HA 0.656 4.996 4.340 -0.001 0.000 0.261 380 L C 0.188 177.008 176.870 -0.083 0.000 1.179 380 L CA -0.988 53.798 54.840 -0.090 0.000 0.813 380 L CB 0.371 42.402 42.059 -0.046 0.000 1.110 380 L HN 0.096 nan 8.230 nan 0.000 0.466 381 N N 1.567 120.142 118.700 -0.209 0.000 2.405 381 N HA 0.179 4.919 4.740 -0.001 0.000 0.260 381 N C -1.099 174.451 175.510 0.067 0.000 1.152 381 N CA -0.070 52.895 53.050 -0.141 0.000 0.948 381 N CB 0.483 38.723 38.487 -0.412 0.000 1.111 381 N HN 0.526 nan 8.380 nan 0.000 0.485 382 F N 3.318 123.248 119.950 -0.035 0.000 2.399 382 F HA 0.442 4.969 4.527 -0.001 0.000 0.328 382 F C 0.484 176.302 175.800 0.031 0.000 1.084 382 F CA -0.734 57.268 58.000 0.002 0.000 1.053 382 F CB 0.954 39.953 39.000 -0.003 0.000 1.209 382 F HN 0.441 nan 8.300 nan 0.000 0.502 383 R N 1.715 121.778 120.500 -0.729 0.000 2.692 383 R HA 0.590 4.930 4.340 -0.001 0.000 0.269 383 R C -2.139 173.694 176.300 -0.778 0.000 1.030 383 R CA -0.845 54.930 56.100 -0.541 0.000 0.882 383 R CB 1.608 31.791 30.300 -0.195 0.000 1.250 383 R HN 0.572 nan 8.270 nan 0.000 0.465 384 T N 1.946 116.248 114.554 -0.420 0.000 2.890 384 T HA 0.388 4.738 4.350 -0.001 0.000 0.295 384 T C -0.883 173.738 174.700 -0.132 0.000 0.993 384 T CA -0.630 61.300 62.100 -0.283 0.000 0.979 384 T CB 1.353 70.120 68.868 -0.168 0.000 0.967 384 T HN 0.484 nan 8.240 nan 0.000 0.441 385 V N 1.172 121.026 119.914 -0.100 0.000 2.448 385 V HA 0.763 4.883 4.120 -0.001 0.000 0.295 385 V C 0.479 176.554 176.094 -0.032 0.000 1.025 385 V CA -0.978 61.292 62.300 -0.050 0.000 0.859 385 V CB 1.518 33.321 31.823 -0.034 0.000 0.988 385 V HN 0.792 nan 8.190 nan 0.000 0.431 386 S N 3.547 119.235 115.700 -0.020 0.000 2.564 386 S HA 0.376 4.846 4.470 -0.001 0.000 0.278 386 S C 0.930 175.531 174.600 0.001 0.000 1.333 386 S CA -0.061 58.130 58.200 -0.015 0.000 1.048 386 S CB 0.556 63.747 63.200 -0.015 0.000 0.900 386 S HN 0.982 nan 8.310 nan 0.000 0.505 387 I N 1.663 122.234 120.570 0.002 0.000 3.860 387 I HA 0.317 4.487 4.170 -0.001 0.000 0.319 387 I C 1.734 177.901 176.117 0.082 0.000 1.279 387 I CA 0.250 61.575 61.300 0.041 0.000 1.220 387 I CB -0.158 37.865 38.000 0.037 0.000 1.027 387 I HN 0.693 nan 8.210 nan 0.000 0.428 388 E N 2.480 122.701 120.200 0.034 0.000 2.110 388 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 388 E C -0.457 176.208 176.600 0.108 0.000 0.988 388 E CA 1.306 57.743 56.400 0.062 0.000 0.804 388 E CB -0.683 29.000 29.700 -0.027 0.000 0.745 388 E HN 0.430 nan 8.360 nan 0.000 0.458 389 P HA -0.194 nan 4.420 nan 0.000 0.216 389 P C 1.458 178.800 177.300 0.070 0.000 1.150 389 P CA 1.562 64.695 63.100 0.055 0.000 0.837 389 P CB -0.213 31.506 31.700 0.031 0.000 0.786 390 M N -3.808 115.855 119.600 0.104 0.000 2.510 390 M HA 0.135 4.614 4.480 -0.001 0.000 0.256 390 M C 1.968 178.406 176.300 0.231 0.000 1.132 390 M CA 0.916 56.291 55.300 0.124 0.000 1.105 390 M CB -1.588 31.089 32.600 0.129 0.000 1.375 390 M HN -0.199 nan 8.290 nan 0.000 0.477 391 F N 2.887 122.895 119.950 0.097 0.000 2.186 391 F HA -0.110 4.417 4.527 -0.001 0.000 0.299 391 F C 1.208 177.065 175.800 0.094 0.000 1.090 391 F CA 1.851 59.912 58.000 0.102 0.000 1.307 391 F CB -0.124 38.888 39.000 0.021 0.000 1.019 391 F HN 0.140 nan 8.300 nan 0.000 0.489 392 D N 0.227 120.700 120.400 0.120 0.000 2.183 392 D HA -0.061 4.579 4.640 -0.001 0.000 0.203 392 D C 2.295 178.563 176.300 -0.054 0.000 0.969 392 D CA 1.216 55.225 54.000 0.016 0.000 0.842 392 D CB -0.315 40.531 40.800 0.076 0.000 0.957 392 D HN 0.347 nan 8.370 nan 0.000 0.484 393 A N -0.473 122.320 122.820 -0.046 0.000 1.930 393 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 393 A C 1.826 179.309 177.584 -0.169 0.000 1.175 393 A CA 1.004 52.974 52.037 -0.111 0.000 0.627 393 A CB -0.843 18.071 19.000 -0.143 0.000 0.815 393 A HN 0.282 nan 8.150 nan 0.000 0.443 394 Y N -1.027 119.183 120.300 -0.150 0.000 2.153 394 Y HA -0.145 4.404 4.550 -0.001 0.000 0.289 394 Y C 2.655 178.429 175.900 -0.210 0.000 1.127 394 Y CA 1.498 59.494 58.100 -0.173 0.000 1.131 394 Y CB -0.129 38.210 38.460 -0.202 0.000 0.995 394 Y HN 0.142 nan 8.280 nan 0.000 0.505 395 M N -0.655 118.849 119.600 -0.160 0.000 2.460 395 M HA -0.133 4.347 4.480 -0.001 0.000 0.263 395 M C 2.268 178.510 176.300 -0.096 0.000 1.071 395 M CA 1.150 56.332 55.300 -0.198 0.000 1.096 395 M CB -1.244 31.131 32.600 -0.375 0.000 1.408 395 M HN 0.359 nan 8.290 nan 0.000 0.463 396 A N 0.258 123.030 122.820 -0.080 0.000 1.930 396 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 396 A C 2.214 179.773 177.584 -0.041 0.000 1.175 396 A CA 2.101 54.107 52.037 -0.052 0.000 0.627 396 A CB -0.450 18.517 19.000 -0.054 0.000 0.815 396 A HN 0.577 nan 8.150 nan 0.000 0.443 397 S N -2.560 113.115 115.700 -0.043 0.000 2.559 397 S HA 0.389 4.859 4.470 -0.001 0.000 0.226 397 S C 1.013 175.608 174.600 -0.007 0.000 1.000 397 S CA 0.107 58.290 58.200 -0.029 0.000 0.948 397 S CB 0.232 63.405 63.200 -0.045 0.000 0.870 397 S HN 0.188 nan 8.310 nan 0.000 0.497 398 L N 1.278 122.501 121.223 -0.000 0.000 2.586 398 L HA 0.543 4.883 4.340 -0.001 0.000 0.204 398 L C 1.341 178.207 176.870 -0.006 0.000 1.053 398 L CA 1.354 56.201 54.840 0.011 0.000 0.856 398 L CB -1.038 41.047 42.059 0.043 0.000 1.192 398 L HN 0.479 nan 8.230 nan 0.000 0.484 399 G N 1.590 110.375 108.800 -0.025 0.000 2.392 399 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.290 399 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.290 399 G C -0.249 174.644 174.900 -0.011 0.000 1.032 399 G CA 0.097 45.185 45.100 -0.021 0.000 1.269 399 G HN 0.178 nan 8.290 nan 0.000 0.511 400 L N 1.196 122.406 121.223 -0.022 0.000 2.326 400 L HA 0.639 4.978 4.340 -0.001 0.000 0.278 400 L C 1.454 178.338 176.870 0.025 0.000 1.092 400 L CA -0.392 54.447 54.840 -0.003 0.000 0.810 400 L CB 1.171 43.220 42.059 -0.017 0.000 1.153 400 L HN 0.541 nan 8.230 nan 0.000 0.439 401 T N -0.942 113.630 114.554 0.030 0.000 2.814 401 T HA 0.277 4.626 4.350 -0.001 0.000 0.284 401 T C 1.478 176.209 174.700 0.051 0.000 0.998 401 T CA -0.088 62.038 62.100 0.042 0.000 0.935 401 T CB 1.159 70.046 68.868 0.032 0.000 1.167 401 T HN 0.681 nan 8.240 nan 0.000 0.545 402 G N 0.573 109.404 108.800 0.052 0.000 2.679 402 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.222 402 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.222 402 G C 1.334 176.263 174.900 0.048 0.000 1.164 402 G CA 1.796 46.927 45.100 0.053 0.000 0.769 402 G HN 0.702 nan 8.290 nan 0.000 0.610 403 L N 1.108 122.354 121.223 0.038 0.000 1.955 403 L HA 0.029 4.369 4.340 -0.001 0.000 0.213 403 L C 3.284 180.176 176.870 0.036 0.000 1.072 403 L CA 2.400 57.261 54.840 0.035 0.000 0.755 403 L CB -1.127 40.950 42.059 0.030 0.000 0.888 403 L HN 0.247 nan 8.230 nan 0.000 0.432 404 A N -0.046 122.793 122.820 0.032 0.000 1.930 404 A HA -0.148 4.171 4.320 -0.001 0.000 0.215 404 A C 2.289 179.893 177.584 0.033 0.000 1.176 404 A CA 1.221 53.271 52.037 0.021 0.000 0.632 404 A CB -0.672 18.331 19.000 0.005 0.000 0.819 404 A HN 0.643 nan 8.150 nan 0.000 0.445 405 E N -0.042 120.197 120.200 0.065 0.000 2.274 405 E HA -0.159 4.190 4.350 -0.001 0.000 0.194 405 E C 1.522 178.236 176.600 0.190 0.000 0.996 405 E CA 1.123 57.608 56.400 0.142 0.000 0.840 405 E CB -0.265 29.545 29.700 0.183 0.000 0.772 405 E HN 0.710 nan 8.360 nan 0.000 0.491 406 E N 0.572 120.837 120.200 0.108 0.000 2.072 406 E HA -0.099 4.250 4.350 -0.001 0.000 0.190 406 E C 1.752 178.386 176.600 0.056 0.000 0.982 406 E CA 0.829 57.273 56.400 0.073 0.000 0.803 406 E CB 0.043 29.771 29.700 0.046 0.000 0.755 406 E HN 0.268 nan 8.360 nan 0.000 0.453 407 N N 1.022 119.749 118.700 0.045 0.000 2.244 407 N HA -0.136 4.604 4.740 -0.001 0.000 0.183 407 N C 1.799 177.317 175.510 0.012 0.000 1.016 407 N CA 0.433 53.499 53.050 0.026 0.000 0.866 407 N CB -0.279 38.221 38.487 0.021 0.000 0.980 407 N HN 0.078 nan 8.380 nan 0.000 0.430 408 L N 1.713 122.945 121.223 0.014 0.000 2.043 408 L HA -0.231 4.109 4.340 -0.001 0.000 0.212 408 L C 1.981 178.869 176.870 0.030 0.000 1.075 408 L CA 1.759 56.580 54.840 -0.032 0.000 0.752 408 L CB -0.631 41.408 42.059 -0.032 0.000 0.891 408 L HN 0.214 nan 8.230 nan 0.000 0.432 409 Q N -1.464 118.396 119.800 0.100 0.000 2.135 409 Q HA -0.230 4.110 4.340 -0.001 0.000 0.204 409 Q C 2.425 178.441 176.000 0.026 0.000 0.981 409 Q CA 1.816 57.657 55.803 0.063 0.000 0.856 409 Q CB -0.342 28.393 28.738 -0.005 0.000 0.902 409 Q HN 0.612 nan 8.270 nan 0.000 0.425 410 S N 0.116 115.827 115.700 0.018 0.000 2.368 410 S HA -0.079 4.391 4.470 -0.001 0.000 0.224 410 S C 1.853 176.458 174.600 0.008 0.000 1.029 410 S CA 0.767 58.975 58.200 0.014 0.000 0.988 410 S CB 0.064 63.275 63.200 0.018 0.000 0.838 410 S HN 0.261 nan 8.310 nan 0.000 0.462 411 R N 0.281 120.777 120.500 -0.007 0.000 2.092 411 R HA 0.059 4.399 4.340 -0.001 0.000 0.231 411 R C 2.274 178.570 176.300 -0.006 0.000 1.119 411 R CA 1.080 57.168 56.100 -0.019 0.000 0.970 411 R CB -0.481 29.786 30.300 -0.055 0.000 0.864 411 R HN 0.411 nan 8.270 nan 0.000 0.440 412 L N 0.200 121.425 121.223 0.003 0.000 2.046 412 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 412 L C 2.568 179.466 176.870 0.047 0.000 1.077 412 L CA 1.529 56.398 54.840 0.049 0.000 0.747 412 L CB -0.337 41.777 42.059 0.092 0.000 0.896 412 L HN 0.127 nan 8.230 nan 0.000 0.432 413 R N -0.355 120.164 120.500 0.031 0.000 2.096 413 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 413 R C 2.357 178.670 176.300 0.021 0.000 1.127 413 R CA 1.170 57.284 56.100 0.024 0.000 0.968 413 R CB -0.668 29.642 30.300 0.018 0.000 0.861 413 R HN 0.450 nan 8.270 nan 0.000 0.440 414 G N 0.156 108.966 108.800 0.016 0.000 2.404 414 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.215 414 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.215 414 G C 1.334 176.244 174.900 0.016 0.000 1.174 414 G CA 1.192 46.298 45.100 0.010 0.000 0.780 414 G HN 0.237 nan 8.290 nan 0.000 0.537 415 T N 1.227 115.797 114.554 0.026 0.000 2.720 415 T HA -0.154 4.196 4.350 -0.001 0.000 0.268 415 T C 2.600 177.321 174.700 0.035 0.000 1.037 415 T CA 1.861 63.983 62.100 0.036 0.000 1.144 415 T CB -0.664 68.240 68.868 0.059 0.000 0.864 415 T HN 0.305 nan 8.240 nan 0.000 0.444 416 T N 2.552 117.128 114.554 0.035 0.000 2.652 416 T HA -0.014 4.336 4.350 -0.001 0.000 0.267 416 T C 2.025 176.741 174.700 0.027 0.000 1.039 416 T CA 1.032 63.150 62.100 0.030 0.000 1.153 416 T CB -0.616 68.267 68.868 0.026 0.000 0.863 416 T HN 0.227 nan 8.240 nan 0.000 0.428 417 L N -0.263 120.976 121.223 0.026 0.000 2.012 417 L HA -0.130 4.209 4.340 -0.001 0.000 0.210 417 L C 2.663 179.554 176.870 0.035 0.000 1.073 417 L CA 1.242 56.101 54.840 0.031 0.000 0.748 417 L CB -0.411 41.663 42.059 0.025 0.000 0.891 417 L HN 0.244 nan 8.230 nan 0.000 0.431 418 M N -0.701 118.914 119.600 0.025 0.000 2.175 418 M HA -0.107 4.372 4.480 -0.001 0.000 0.264 418 M C 2.240 178.554 176.300 0.023 0.000 1.063 418 M CA 1.837 57.151 55.300 0.023 0.000 1.119 418 M CB -0.440 32.169 32.600 0.015 0.000 1.377 418 M HN 0.240 nan 8.290 nan 0.000 0.415 419 A N -0.094 122.739 122.820 0.022 0.000 1.877 419 A HA -0.134 4.186 4.320 -0.001 0.000 0.216 419 A C 2.164 179.753 177.584 0.010 0.000 1.186 419 A CA 1.746 53.792 52.037 0.015 0.000 0.620 419 A CB -1.016 17.994 19.000 0.017 0.000 0.822 419 A HN 0.505 nan 8.150 nan 0.000 0.443 420 I N 0.574 121.156 120.570 0.021 0.000 2.226 420 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 420 I C 2.925 179.049 176.117 0.011 0.000 1.100 420 I CA 1.677 62.992 61.300 0.025 0.000 1.374 420 I CB -0.287 37.746 38.000 0.055 0.000 1.057 420 I HN 0.538 nan 8.210 nan 0.000 0.413 421 S N 0.492 116.216 115.700 0.040 0.000 2.383 421 S HA -0.181 4.288 4.470 -0.001 0.000 0.227 421 S C 1.678 176.266 174.600 -0.019 0.000 1.026 421 S CA 1.493 59.710 58.200 0.027 0.000 0.981 421 S CB -0.833 62.418 63.200 0.086 0.000 0.818 421 S HN 0.483 nan 8.310 nan 0.000 0.472 422 N N 0.597 119.296 118.700 -0.003 0.000 2.120 422 N HA -0.111 4.628 4.740 -0.001 0.000 0.188 422 N C 2.145 177.629 175.510 -0.044 0.000 1.024 422 N CA 1.295 54.339 53.050 -0.010 0.000 0.852 422 N CB -0.140 38.347 38.487 0.000 0.000 1.003 422 N HN 0.359 nan 8.380 nan 0.000 0.424 423 Q N 0.991 120.758 119.800 -0.054 0.000 2.050 423 Q HA -0.110 4.230 4.340 -0.001 0.000 0.202 423 Q C 1.213 177.133 176.000 -0.133 0.000 0.980 423 Q CA 1.565 57.325 55.803 -0.073 0.000 0.840 423 Q CB 0.017 28.723 28.738 -0.053 0.000 0.898 423 Q HN 0.512 nan 8.270 nan 0.000 0.424 424 E N -1.939 118.126 120.200 -0.225 0.000 2.431 424 E HA 0.206 4.556 4.350 -0.001 0.000 0.200 424 E C 0.529 176.795 176.600 -0.557 0.000 0.995 424 E CA 0.404 56.561 56.400 -0.405 0.000 0.915 424 E CB 0.766 30.160 29.700 -0.511 0.000 0.930 424 E HN 0.442 nan 8.360 nan 0.000 0.496 425 G N 2.178 110.737 108.800 -0.401 0.000 2.130 425 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.216 425 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.216 425 G C -0.141 174.726 174.900 -0.055 0.000 0.999 425 G CA -0.253 44.711 45.100 -0.227 0.000 0.686 425 G HN 0.234 nan 8.290 nan 0.000 0.515 426 H N -0.711 118.421 119.070 0.103 0.000 2.495 426 H HA 0.558 5.113 4.556 -0.001 0.000 0.350 426 H C 0.667 176.087 175.328 0.153 0.000 1.202 426 H CA -0.722 55.404 56.048 0.130 0.000 1.322 426 H CB 1.106 30.859 29.762 -0.015 0.000 1.544 426 H HN 0.190 nan 8.280 nan 0.000 0.565 427 I N 1.931 122.590 120.570 0.147 0.000 2.315 427 I HA 0.028 4.197 4.170 -0.001 0.000 0.291 427 I C 0.045 176.177 176.117 0.025 0.000 1.006 427 I CA -0.575 60.669 61.300 -0.092 0.000 1.265 427 I CB 1.018 38.828 38.000 -0.316 0.000 1.387 427 I HN 0.111 nan 8.210 nan 0.000 0.475 428 V N 7.843 127.769 119.914 0.021 0.000 2.655 428 V HA 0.067 4.186 4.120 -0.001 0.000 0.300 428 V C 0.329 176.430 176.094 0.011 0.000 1.044 428 V CA -0.013 62.302 62.300 0.026 0.000 1.095 428 V CB 0.712 32.541 31.823 0.011 0.000 0.952 428 V HN 0.451 nan 8.190 nan 0.000 0.485 429 L N 4.393 125.628 121.223 0.020 0.000 2.296 429 L HA 0.662 5.002 4.340 -0.001 0.000 0.286 429 L C 0.411 177.275 176.870 -0.011 0.000 1.023 429 L CA -0.514 54.337 54.840 0.019 0.000 0.812 429 L CB 1.594 43.682 42.059 0.047 0.000 1.223 429 L HN 0.743 nan 8.230 nan 0.000 0.421 430 A N 5.243 128.030 122.820 -0.055 0.000 2.362 430 A HA 0.539 4.859 4.320 -0.001 0.000 0.276 430 A C -1.857 175.737 177.584 0.017 0.000 1.153 430 A CA -1.095 50.904 52.037 -0.063 0.000 0.813 430 A CB 0.177 19.036 19.000 -0.236 0.000 1.081 430 A HN 0.578 nan 8.150 nan 0.000 0.507 431 P HA 0.134 nan 4.420 nan 0.000 0.261 431 P C 0.658 177.986 177.300 0.047 0.000 1.352 431 P CA 0.292 63.416 63.100 0.040 0.000 0.891 431 P CB 0.219 31.940 31.700 0.035 0.000 1.383 432 G N 1.402 110.269 108.800 0.112 0.000 2.467 432 G HA2 0.305 4.265 3.960 -0.001 0.000 0.257 432 G HA3 0.305 4.265 3.960 -0.001 0.000 0.257 432 G C -0.107 174.765 174.900 -0.046 0.000 1.227 432 G CA -0.303 44.824 45.100 0.046 0.000 0.835 432 G HN 0.278 nan 8.290 nan 0.000 0.556 433 N N -0.192 118.459 118.700 -0.080 0.000 2.483 433 N HA 0.248 4.987 4.740 -0.001 0.000 0.285 433 N C 1.032 176.474 175.510 -0.113 0.000 1.210 433 N CA -1.005 51.982 53.050 -0.104 0.000 0.931 433 N CB 1.800 40.222 38.487 -0.109 0.000 1.220 433 N HN 0.418 nan 8.380 nan 0.000 0.542 434 K N -0.114 120.211 120.400 -0.126 0.000 2.103 434 K HA -0.140 4.180 4.320 -0.001 0.000 0.207 434 K C 1.257 177.902 176.600 0.075 0.000 1.048 434 K CA 1.669 57.889 56.287 -0.112 0.000 0.930 434 K CB -0.219 32.033 32.500 -0.413 0.000 0.716 434 K HN 0.602 nan 8.250 nan 0.000 0.444 435 S N 0.896 116.699 115.700 0.172 0.000 2.368 435 S HA -0.138 4.332 4.470 -0.001 0.000 0.225 435 S C 1.635 176.341 174.600 0.176 0.000 1.030 435 S CA 1.386 59.752 58.200 0.278 0.000 0.999 435 S CB -0.211 63.175 63.200 0.310 0.000 0.844 435 S HN 0.407 nan 8.310 nan 0.000 0.459 436 E N 0.648 120.916 120.200 0.113 0.000 2.072 436 E HA -0.072 4.277 4.350 -0.001 0.000 0.191 436 E C 1.936 178.494 176.600 -0.071 0.000 0.985 436 E CA 0.778 57.224 56.400 0.076 0.000 0.801 436 E CB -0.205 29.540 29.700 0.076 0.000 0.750 436 E HN 0.225 nan 8.360 nan 0.000 0.452 437 L N 0.591 121.721 121.223 -0.155 0.000 2.141 437 L HA -0.127 4.213 4.340 -0.001 0.000 0.209 437 L C 2.247 178.949 176.870 -0.280 0.000 1.094 437 L CA 1.462 56.106 54.840 -0.327 0.000 0.763 437 L CB -0.485 41.287 42.059 -0.478 0.000 0.908 437 L HN 0.074 nan 8.230 nan 0.000 0.437 438 A N -1.415 121.383 122.820 -0.036 0.000 1.898 438 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 438 A C 2.314 179.897 177.584 -0.002 0.000 1.181 438 A CA 1.876 53.998 52.037 0.143 0.000 0.620 438 A CB -0.688 18.553 19.000 0.402 0.000 0.819 438 A HN 0.202 nan 8.150 nan 0.000 0.442 439 V N -1.343 118.509 119.914 -0.104 0.000 2.725 439 V HA 0.274 4.394 4.120 -0.001 0.000 0.247 439 V C 1.664 177.526 176.094 -0.386 0.000 1.058 439 V CA 1.314 63.452 62.300 -0.269 0.000 1.080 439 V CB -0.449 31.134 31.823 -0.400 0.000 0.713 439 V HN 1.192 nan 8.190 nan 0.000 0.465 440 G N -0.959 107.642 108.800 -0.330 0.000 2.215 440 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.198 440 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.198 440 G C -0.230 174.590 174.900 -0.133 0.000 1.047 440 G CA -0.296 44.657 45.100 -0.246 0.000 0.747 440 G HN 0.440 nan 8.290 nan 0.000 0.495 441 Y N 0.105 120.382 120.300 -0.037 0.000 2.545 441 Y HA 0.732 5.282 4.550 -0.001 0.000 0.324 441 Y C 1.024 176.916 175.900 -0.013 0.000 1.220 441 Y CA -0.177 57.917 58.100 -0.010 0.000 1.290 441 Y CB 2.137 40.609 38.460 0.021 0.000 1.355 441 Y HN 0.807 nan 8.280 nan 0.000 0.516 449 V N 1.257 121.109 119.914 -0.103 0.000 3.001 449 V HA 0.979 5.098 4.120 -0.001 0.000 0.314 449 V C 0.507 176.512 176.094 -0.147 0.000 1.099 449 V CA 0.034 62.245 62.300 -0.149 0.000 0.989 449 V CB 1.068 32.843 31.823 -0.080 0.000 1.040 449 V HN 0.955 nan 8.190 nan 0.000 0.434 450 G N 0.559 109.262 108.800 -0.162 0.000 2.341 450 G HA2 0.575 4.535 3.960 -0.001 0.000 0.293 450 G HA3 0.575 4.535 3.960 -0.001 0.000 0.293 450 G C -0.014 174.815 174.900 -0.119 0.000 1.298 450 G CA 0.352 45.383 45.100 -0.116 0.000 0.868 450 G HN 1.096 nan 8.290 nan 0.000 0.540 451 A N -1.535 121.252 122.820 -0.055 0.000 2.014 451 A HA 0.657 4.976 4.320 -0.001 0.000 0.210 451 A C 0.405 177.975 177.584 -0.024 0.000 1.188 451 A CA 1.188 53.233 52.037 0.013 0.000 0.731 451 A CB 0.096 19.149 19.000 0.088 0.000 0.858 451 A HN 1.400 nan 8.150 nan 0.000 0.464 452 Y N -1.410 118.740 120.300 -0.250 0.000 2.524 452 Y HA 0.525 5.075 4.550 -0.001 0.000 0.347 452 Y C -0.071 175.685 175.900 -0.240 0.000 1.005 452 Y CA -0.781 57.084 58.100 -0.392 0.000 1.025 452 Y CB 1.842 39.989 38.460 -0.521 0.000 1.275 452 Y HN 0.051 nan 8.280 nan 0.000 0.460 453 G N 5.076 113.534 108.800 -0.570 0.000 2.866 453 G HA2 0.407 4.366 3.960 -0.001 0.000 0.318 453 G HA3 0.407 4.366 3.960 -0.001 0.000 0.318 453 G C -2.614 172.085 174.900 -0.335 0.000 1.336 453 G CA -1.623 43.304 45.100 -0.289 0.000 1.067 453 G HN 0.479 nan 8.290 nan 0.000 0.515 454 P HA -0.034 nan 4.420 nan 0.000 0.220 454 P C 1.363 178.613 177.300 -0.084 0.000 1.148 454 P CA 0.700 63.787 63.100 -0.021 0.000 0.803 454 P CB 0.150 31.879 31.700 0.049 0.000 0.782 455 I N -4.207 116.309 120.570 -0.090 0.000 3.833 455 I HA 0.293 4.462 4.170 -0.001 0.000 0.328 455 I C 1.419 177.468 176.117 -0.113 0.000 1.554 455 I CA -0.428 60.814 61.300 -0.096 0.000 1.116 455 I CB -0.183 37.770 38.000 -0.079 0.000 1.182 455 I HN -0.202 nan 8.210 nan 0.000 0.459 456 K N 0.139 120.464 120.400 -0.125 0.000 2.365 456 K HA -0.065 4.255 4.320 -0.001 0.000 0.199 456 K C 0.680 177.188 176.600 -0.154 0.000 1.045 456 K CA 1.324 57.530 56.287 -0.136 0.000 0.962 456 K CB -0.060 32.382 32.500 -0.097 0.000 0.759 456 K HN 0.235 nan 8.250 nan 0.000 0.469 457 D N 1.206 121.512 120.400 -0.157 0.000 2.615 457 D HA 0.114 4.754 4.640 -0.001 0.000 0.236 457 D C -1.305 174.845 176.300 -0.249 0.000 1.233 457 D CA -0.268 53.620 54.000 -0.187 0.000 0.829 457 D CB 0.647 41.362 40.800 -0.142 0.000 1.024 457 D HN -0.002 nan 8.370 nan 0.000 0.490 458 V N 1.701 121.474 119.914 -0.234 0.000 2.483 458 V HA 0.333 4.452 4.120 -0.001 0.000 0.297 458 V C -0.160 175.818 176.094 -0.194 0.000 1.027 458 V CA -1.045 61.133 62.300 -0.202 0.000 0.855 458 V CB 0.912 32.668 31.823 -0.113 0.000 0.995 458 V HN 0.028 nan 8.190 nan 0.000 0.424 459 Y N 2.291 122.558 120.300 -0.055 0.000 2.426 459 Y HA 0.049 4.599 4.550 -0.001 0.000 0.344 459 Y C 1.692 177.521 175.900 -0.118 0.000 1.256 459 Y CA 0.090 58.155 58.100 -0.059 0.000 1.451 459 Y CB 0.731 39.175 38.460 -0.025 0.000 1.342 459 Y HN 0.629 nan 8.280 nan 0.000 0.600 460 K N 0.342 120.751 120.400 0.014 0.000 2.097 460 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 460 K C 1.692 178.186 176.600 -0.176 0.000 1.049 460 K CA 2.208 58.321 56.287 -0.291 0.000 0.933 460 K CB -0.476 31.583 32.500 -0.734 0.000 0.717 460 K HN 0.773 nan 8.250 nan 0.000 0.442 461 T N -0.231 114.351 114.554 0.047 0.000 2.759 461 T HA -0.093 4.256 4.350 -0.001 0.000 0.269 461 T C 1.864 176.658 174.700 0.157 0.000 1.042 461 T CA 1.714 63.920 62.100 0.177 0.000 1.140 461 T CB -0.280 68.669 68.868 0.135 0.000 0.864 461 T HN 0.181 nan 8.240 nan 0.000 0.455 462 S N 0.506 116.269 115.700 0.106 0.000 2.461 462 S HA 0.138 4.608 4.470 -0.001 0.000 0.228 462 S C 1.885 176.504 174.600 0.031 0.000 1.005 462 S CA 0.103 58.354 58.200 0.085 0.000 0.942 462 S CB -0.247 63.007 63.200 0.091 0.000 0.776 462 S HN 0.279 nan 8.310 nan 0.000 0.514 463 I N 1.002 121.527 120.570 -0.075 0.000 2.252 463 I HA -0.125 4.044 4.170 -0.001 0.000 0.245 463 I C 1.641 177.673 176.117 -0.142 0.000 1.102 463 I CA 1.409 62.603 61.300 -0.178 0.000 1.385 463 I CB -0.266 37.521 38.000 -0.355 0.000 1.064 463 I HN 0.251 nan 8.210 nan 0.000 0.414 464 F N -0.150 119.813 119.950 0.023 0.000 2.146 464 F HA -0.192 4.334 4.527 -0.001 0.000 0.298 464 F C 2.710 178.549 175.800 0.065 0.000 1.096 464 F CA 1.296 59.318 58.000 0.037 0.000 1.275 464 F CB -0.466 38.547 39.000 0.023 0.000 1.008 464 F HN -0.096 nan 8.300 nan 0.000 0.480 465 R N 0.865 121.517 120.500 0.253 0.000 2.091 465 R HA -0.170 4.169 4.340 -0.001 0.000 0.238 465 R C 2.063 178.478 176.300 0.191 0.000 1.136 465 R CA 1.420 57.633 56.100 0.188 0.000 0.959 465 R CB -0.448 29.936 30.300 0.140 0.000 0.856 465 R HN 0.324 nan 8.270 nan 0.000 0.437 466 L N -0.077 121.245 121.223 0.166 0.000 2.109 466 L HA -0.051 4.289 4.340 -0.001 0.000 0.207 466 L C 2.677 179.712 176.870 0.276 0.000 1.086 466 L CA 1.063 56.029 54.840 0.210 0.000 0.760 466 L CB -0.455 41.716 42.059 0.187 0.000 0.910 466 L HN 0.313 nan 8.230 nan 0.000 0.437 467 A N 0.211 123.155 122.820 0.206 0.000 1.858 467 A HA -0.234 4.086 4.320 -0.001 0.000 0.216 467 A C 2.153 179.825 177.584 0.147 0.000 1.190 467 A CA 1.784 53.925 52.037 0.173 0.000 0.617 467 A CB -0.483 18.606 19.000 0.148 0.000 0.827 467 A HN 0.420 nan 8.150 nan 0.000 0.443 468 E N -1.696 118.604 120.200 0.166 0.000 2.153 468 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 468 E C 1.687 178.344 176.600 0.096 0.000 0.988 468 E CA 1.253 57.723 56.400 0.115 0.000 0.811 468 E CB -0.249 29.525 29.700 0.124 0.000 0.746 468 E HN 0.858 nan 8.360 nan 0.000 0.466 469 W N 1.526 122.814 121.300 -0.019 0.000 2.363 469 W HA -0.142 4.517 4.660 -0.001 0.000 0.296 469 W C 2.150 178.593 176.519 -0.126 0.000 1.212 469 W CA 1.069 58.378 57.345 -0.061 0.000 1.260 469 W CB 0.157 29.581 29.460 -0.060 0.000 1.131 469 W HN -0.159 nan 8.180 nan 0.000 0.530 470 R N 0.579 120.984 120.500 -0.159 0.000 2.090 470 R HA -0.111 4.229 4.340 -0.001 0.000 0.228 470 R C 1.665 177.721 176.300 -0.406 0.000 1.110 470 R CA 1.402 57.217 56.100 -0.474 0.000 0.973 470 R CB -0.863 29.307 30.300 -0.216 0.000 0.869 470 R HN 0.258 nan 8.270 nan 0.000 0.440 471 N N 0.658 119.224 118.700 -0.223 0.000 2.084 471 N HA -0.170 4.570 4.740 -0.001 0.000 0.190 471 N C 1.780 177.153 175.510 -0.230 0.000 1.030 471 N CA 1.043 53.988 53.050 -0.175 0.000 0.849 471 N CB -0.389 38.046 38.487 -0.087 0.000 1.012 471 N HN 0.171 nan 8.380 nan 0.000 0.423 472 R N 0.541 120.881 120.500 -0.267 0.000 2.152 472 R HA 0.003 4.343 4.340 -0.001 0.000 0.232 472 R C 1.853 177.911 176.300 -0.403 0.000 1.117 472 R CA 1.208 57.142 56.100 -0.278 0.000 0.981 472 R CB -0.083 30.082 30.300 -0.225 0.000 0.870 472 R HN 0.234 nan 8.270 nan 0.000 0.451 473 A N 0.229 122.651 122.820 -0.664 0.000 1.898 473 A HA 0.016 4.336 4.320 -0.001 0.000 0.214 473 A C 2.282 179.639 177.584 -0.378 0.000 1.183 473 A CA 1.229 52.857 52.037 -0.681 0.000 0.622 473 A CB -0.654 17.635 19.000 -1.186 0.000 0.824 473 A HN 0.455 nan 8.150 nan 0.000 0.444 474 A N 0.131 122.758 122.820 -0.322 0.000 1.877 474 A HA 0.126 4.446 4.320 -0.001 0.000 0.216 474 A C 2.478 179.976 177.584 -0.145 0.000 1.186 474 A CA 2.187 54.108 52.037 -0.194 0.000 0.620 474 A CB -1.081 17.825 19.000 -0.157 0.000 0.822 474 A HN 1.102 nan 8.150 nan 0.000 0.443 475 A N -0.695 122.038 122.820 -0.146 0.000 2.067 475 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 475 A C 1.783 179.309 177.584 -0.096 0.000 1.158 475 A CA 1.419 53.393 52.037 -0.105 0.000 0.661 475 A CB -0.425 18.517 19.000 -0.096 0.000 0.801 475 A HN 0.637 nan 8.150 nan 0.000 0.452 476 E N -0.625 119.502 120.200 -0.122 0.000 2.502 476 E HA -0.053 4.296 4.350 -0.001 0.000 0.194 476 E C 0.974 177.531 176.600 -0.072 0.000 1.062 476 E CA 0.344 56.688 56.400 -0.094 0.000 0.867 476 E CB 0.089 29.723 29.700 -0.110 0.000 0.888 476 E HN 0.728 nan 8.360 nan 0.000 0.510 477 R N -1.539 118.916 120.500 -0.075 0.000 2.549 477 R HA 0.225 4.565 4.340 -0.001 0.000 0.399 477 R C 0.689 176.962 176.300 -0.045 0.000 0.964 477 R CA 0.382 56.451 56.100 -0.052 0.000 1.173 477 R CB 0.286 30.556 30.300 -0.049 0.000 1.535 477 R HN 0.061 nan 8.270 nan 0.000 0.551 478 G N 1.828 110.598 108.800 -0.051 0.000 2.225 478 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.264 478 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.264 478 G C -0.391 174.484 174.900 -0.042 0.000 1.060 478 G CA 0.168 45.243 45.100 -0.041 0.000 0.833 478 G HN 0.456 nan 8.290 nan 0.000 0.498 479 Q N -0.600 119.167 119.800 -0.055 0.000 2.297 479 Q HA 0.613 4.953 4.340 -0.001 0.000 0.268 479 Q C 0.343 176.308 176.000 -0.058 0.000 1.045 479 Q CA -0.345 55.427 55.803 -0.052 0.000 0.861 479 Q CB 1.725 30.430 28.738 -0.056 0.000 1.344 479 Q HN 0.311 nan 8.270 nan 0.000 0.452 480 T N 2.063 116.589 114.554 -0.048 0.000 2.799 480 T HA 0.177 4.527 4.350 -0.001 0.000 0.296 480 T C -2.212 172.454 174.700 -0.055 0.000 0.947 480 T CA -1.367 60.705 62.100 -0.047 0.000 1.141 480 T CB 0.190 69.036 68.868 -0.037 0.000 0.891 480 T HN 0.237 nan 8.240 nan 0.000 0.533 481 P HA 0.147 nan 4.420 nan 0.000 0.260 481 P C -2.295 174.978 177.300 -0.046 0.000 1.207 481 P CA -1.295 61.766 63.100 -0.066 0.000 0.780 481 P CB 0.554 32.218 31.700 -0.060 0.000 0.789 482 P HA 0.005 nan 4.420 nan 0.000 0.218 482 P C 0.552 177.849 177.300 -0.005 0.000 1.152 482 P CA 1.063 64.152 63.100 -0.019 0.000 0.826 482 P CB 0.184 31.881 31.700 -0.005 0.000 0.790 483 I N 1.142 121.714 120.570 0.003 0.000 2.325 483 I HA 0.220 4.389 4.170 -0.001 0.000 0.291 483 I C -2.231 173.895 176.117 0.015 0.000 1.019 483 I CA -2.822 58.491 61.300 0.022 0.000 1.302 483 I CB 0.893 38.922 38.000 0.047 0.000 1.401 483 I HN -0.241 nan 8.210 nan 0.000 0.485 484 P HA -0.038 nan 4.420 nan 0.000 0.265 484 P C 0.280 177.595 177.300 0.025 0.000 1.187 484 P CA 0.058 63.164 63.100 0.011 0.000 0.766 484 P CB 0.502 32.209 31.700 0.012 0.000 0.820 485 E N 2.567 122.776 120.200 0.015 0.000 2.152 485 E HA -0.120 4.229 4.350 -0.001 0.000 0.192 485 E C 1.810 178.424 176.600 0.024 0.000 0.983 485 E CA 1.304 57.715 56.400 0.018 0.000 0.818 485 E CB -0.859 28.843 29.700 0.003 0.000 0.758 485 E HN 0.502 nan 8.360 nan 0.000 0.467 486 A N 1.221 124.053 122.820 0.020 0.000 2.014 486 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 486 A C 2.437 180.047 177.584 0.042 0.000 1.163 486 A CA 1.211 53.259 52.037 0.019 0.000 0.652 486 A CB -0.334 18.674 19.000 0.014 0.000 0.808 486 A HN 0.142 nan 8.150 nan 0.000 0.449 487 S N -0.103 115.633 115.700 0.060 0.000 2.368 487 S HA -0.078 4.391 4.470 -0.001 0.000 0.224 487 S C 1.761 176.445 174.600 0.140 0.000 1.029 487 S CA 1.367 59.620 58.200 0.089 0.000 0.988 487 S CB -0.411 62.835 63.200 0.076 0.000 0.838 487 S HN 0.585 nan 8.310 nan 0.000 0.462 488 I N 1.365 122.019 120.570 0.141 0.000 2.315 488 I HA -0.109 4.061 4.170 -0.001 0.000 0.248 488 I C 1.985 178.187 176.117 0.142 0.000 1.117 488 I CA 1.372 62.804 61.300 0.221 0.000 1.404 488 I CB -0.556 37.539 38.000 0.159 0.000 1.071 488 I HN 0.365 nan 8.210 nan 0.000 0.419 489 T N -2.217 112.369 114.554 0.053 0.000 3.243 489 T HA 0.257 4.607 4.350 -0.001 0.000 0.264 489 T C 0.476 175.169 174.700 -0.013 0.000 1.000 489 T CA -0.530 61.559 62.100 -0.018 0.000 0.901 489 T CB -0.077 68.772 68.868 -0.032 0.000 1.083 489 T HN 0.054 nan 8.240 nan 0.000 0.559 508 D N -0.070 120.290 120.400 -0.068 0.000 2.372 508 D HA 0.151 4.791 4.640 -0.001 0.000 0.243 508 D C 1.148 177.434 176.300 -0.023 0.000 1.121 508 D CA -0.050 53.909 54.000 -0.069 0.000 0.898 508 D CB 0.598 41.397 40.800 -0.002 0.000 1.202 508 D HN 0.333 nan 8.370 nan 0.000 0.428 509 Y N 1.631 121.972 120.300 0.069 0.000 2.139 509 Y HA -0.196 4.353 4.550 -0.001 0.000 0.282 509 Y C -0.732 175.197 175.900 0.049 0.000 1.179 509 Y CA 1.008 59.158 58.100 0.082 0.000 1.161 509 Y CB -0.849 37.706 38.460 0.158 0.000 0.970 509 Y HN 0.552 nan 8.280 nan 0.000 0.511 510 P HA -0.087 nan 4.420 nan 0.000 0.222 510 P C 1.515 178.856 177.300 0.069 0.000 1.153 510 P CA 1.063 64.234 63.100 0.119 0.000 0.798 510 P CB 0.117 31.877 31.700 0.101 0.000 0.796 511 V N -0.279 119.678 119.914 0.072 0.000 2.488 511 V HA -0.148 3.972 4.120 -0.001 0.000 0.246 511 V C 2.336 178.401 176.094 -0.048 0.000 1.046 511 V CA 1.086 63.427 62.300 0.068 0.000 1.053 511 V CB -1.073 30.819 31.823 0.115 0.000 0.679 511 V HN 0.029 nan 8.190 nan 0.000 0.458 512 L N 0.682 121.890 121.223 -0.024 0.000 1.989 512 L HA -0.221 4.119 4.340 -0.001 0.000 0.211 512 L C 2.051 178.853 176.870 -0.113 0.000 1.071 512 L CA 2.319 57.128 54.840 -0.052 0.000 0.749 512 L CB -0.897 41.173 42.059 0.017 0.000 0.890 512 L HN 0.305 nan 8.230 nan 0.000 0.431 513 D N -0.213 120.123 120.400 -0.106 0.000 2.178 513 D HA -0.114 4.525 4.640 -0.001 0.000 0.201 513 D C 2.194 178.236 176.300 -0.430 0.000 0.980 513 D CA 1.345 55.133 54.000 -0.353 0.000 0.842 513 D CB -0.241 40.381 40.800 -0.297 0.000 0.948 513 D HN 0.539 nan 8.370 nan 0.000 0.472 514 A N 0.397 123.065 122.820 -0.254 0.000 1.930 514 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 514 A C 2.297 179.674 177.584 -0.344 0.000 1.175 514 A CA 0.788 52.687 52.037 -0.231 0.000 0.627 514 A CB -0.552 18.395 19.000 -0.087 0.000 0.815 514 A HN 0.192 nan 8.150 nan 0.000 0.443 515 I N -0.413 119.901 120.570 -0.427 0.000 2.233 515 I HA -0.202 3.968 4.170 -0.001 0.000 0.243 515 I C 2.322 178.315 176.117 -0.206 0.000 1.093 515 I CA 0.837 61.886 61.300 -0.418 0.000 1.380 515 I CB -0.300 37.451 38.000 -0.416 0.000 1.067 515 I HN 0.272 nan 8.210 nan 0.000 0.413 516 L N 0.375 121.490 121.223 -0.180 0.000 2.042 516 L HA -0.252 4.087 4.340 -0.001 0.000 0.210 516 L C 2.579 179.419 176.870 -0.051 0.000 1.076 516 L CA 1.608 56.414 54.840 -0.056 0.000 0.749 516 L CB -0.634 41.403 42.059 -0.035 0.000 0.893 516 L HN 0.319 nan 8.230 nan 0.000 0.432 517 E N 0.411 120.483 120.200 -0.214 0.000 2.110 517 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 517 E C 2.383 178.955 176.600 -0.048 0.000 0.988 517 E CA 0.870 57.210 56.400 -0.101 0.000 0.804 517 E CB 0.032 29.634 29.700 -0.163 0.000 0.745 517 E HN 0.437 nan 8.360 nan 0.000 0.458 518 L N -0.237 120.949 121.223 -0.062 0.000 2.093 518 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 518 L C 2.362 179.261 176.870 0.047 0.000 1.085 518 L CA 1.057 55.887 54.840 -0.017 0.000 0.755 518 L CB -0.337 41.698 42.059 -0.041 0.000 0.904 518 L HN 0.264 nan 8.230 nan 0.000 0.435 519 Y N -0.404 119.840 120.300 -0.093 0.000 2.177 519 Y HA -0.106 4.443 4.550 -0.001 0.000 0.291 519 Y C 2.290 178.144 175.900 -0.076 0.000 1.117 519 Y CA 1.347 59.406 58.100 -0.069 0.000 1.114 519 Y CB -0.340 38.081 38.460 -0.064 0.000 1.017 519 Y HN -0.204 nan 8.280 nan 0.000 0.505 520 V N 0.442 120.290 119.914 -0.110 0.000 2.323 520 V HA -0.213 3.907 4.120 -0.001 0.000 0.244 520 V C 1.636 177.573 176.094 -0.261 0.000 1.041 520 V CA 2.307 64.425 62.300 -0.303 0.000 1.025 520 V CB -0.486 31.120 31.823 -0.362 0.000 0.656 520 V HN 0.356 nan 8.190 nan 0.000 0.451 521 D N -0.478 119.837 120.400 -0.142 0.000 2.301 521 D HA 0.048 4.688 4.640 -0.001 0.000 0.206 521 D C 2.066 178.308 176.300 -0.096 0.000 0.979 521 D CA 0.635 54.565 54.000 -0.117 0.000 0.874 521 D CB 0.051 40.826 40.800 -0.042 0.000 0.968 521 D HN 0.375 nan 8.370 nan 0.000 0.510 522 R N 0.589 121.043 120.500 -0.077 0.000 2.508 522 R HA 0.081 4.421 4.340 -0.001 0.000 0.300 522 R C -0.469 175.795 176.300 -0.061 0.000 0.970 522 R CA -0.166 55.898 56.100 -0.059 0.000 1.102 522 R CB 0.941 31.221 30.300 -0.033 0.000 1.246 522 R HN -0.135 nan 8.270 nan 0.000 0.539 523 D N 2.138 122.481 120.400 -0.095 0.000 2.708 523 D HA -0.133 4.506 4.640 -0.001 0.000 0.236 523 D C -0.201 176.075 176.300 -0.039 0.000 1.146 523 D CA 1.875 55.812 54.000 -0.105 0.000 0.662 523 D CB -1.016 39.724 40.800 -0.100 0.000 1.059 523 D HN 0.407 nan 8.370 nan 0.000 0.428 524 T N -2.706 111.855 114.554 0.011 0.000 2.875 524 T HA 0.581 4.930 4.350 -0.001 0.000 0.284 524 T C 0.944 175.727 174.700 0.139 0.000 0.995 524 T CA -0.198 61.937 62.100 0.058 0.000 1.060 524 T CB 2.322 71.222 68.868 0.052 0.000 0.967 524 T HN 0.139 nan 8.240 nan 0.000 0.476 525 G N 0.631 109.502 108.800 0.118 0.000 2.599 525 G HA2 0.493 4.453 3.960 -0.001 0.000 0.264 525 G HA3 0.493 4.453 3.960 -0.001 0.000 0.264 525 G C 1.134 176.099 174.900 0.108 0.000 1.200 525 G CA -0.525 44.666 45.100 0.151 0.000 0.896 525 G HN 1.088 nan 8.290 nan 0.000 0.536 526 A N 0.089 122.953 122.820 0.073 0.000 1.859 526 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 526 A C 2.010 179.597 177.584 0.006 0.000 1.198 526 A CA 2.200 54.228 52.037 -0.015 0.000 0.629 526 A CB -0.648 18.307 19.000 -0.076 0.000 0.830 526 A HN 0.620 nan 8.150 nan 0.000 0.446 527 D N -0.148 120.269 120.400 0.029 0.000 2.158 527 D HA -0.126 4.514 4.640 -0.001 0.000 0.197 527 D C 2.138 178.471 176.300 0.054 0.000 0.995 527 D CA 1.618 55.648 54.000 0.050 0.000 0.846 527 D CB -0.251 40.597 40.800 0.081 0.000 0.941 527 D HN 0.482 nan 8.370 nan 0.000 0.456 528 A N 0.525 123.380 122.820 0.058 0.000 1.930 528 A HA -0.028 4.292 4.320 -0.001 0.000 0.215 528 A C 2.329 179.957 177.584 0.073 0.000 1.176 528 A CA 0.329 52.401 52.037 0.059 0.000 0.632 528 A CB -0.434 18.599 19.000 0.056 0.000 0.819 528 A HN 0.123 nan 8.150 nan 0.000 0.445 529 I N -0.240 120.373 120.570 0.073 0.000 2.226 529 I HA -0.221 3.948 4.170 -0.001 0.000 0.245 529 I C 2.305 178.522 176.117 0.168 0.000 1.100 529 I CA 1.069 62.431 61.300 0.103 0.000 1.374 529 I CB -0.287 37.721 38.000 0.013 0.000 1.057 529 I HN 0.141 nan 8.210 nan 0.000 0.413 530 V N 1.058 121.030 119.914 0.096 0.000 2.332 530 V HA -0.329 3.790 4.120 -0.001 0.000 0.248 530 V C 2.728 178.861 176.094 0.064 0.000 1.055 530 V CA 2.059 64.409 62.300 0.083 0.000 1.038 530 V CB -1.125 30.726 31.823 0.045 0.000 0.651 530 V HN 0.520 nan 8.190 nan 0.000 0.450 531 A N 0.049 122.904 122.820 0.057 0.000 1.933 531 A HA -0.106 4.214 4.320 -0.001 0.000 0.218 531 A C 2.376 179.977 177.584 0.029 0.000 1.175 531 A CA 1.941 54.001 52.037 0.037 0.000 0.628 531 A CB -0.736 18.286 19.000 0.038 0.000 0.814 531 A HN 0.605 nan 8.150 nan 0.000 0.444 532 A N -2.023 120.836 122.820 0.065 0.000 2.125 532 A HA 0.325 4.645 4.320 -0.001 0.000 0.219 532 A C 1.812 179.356 177.584 -0.068 0.000 1.156 532 A CA 1.794 53.865 52.037 0.057 0.000 0.671 532 A CB -0.667 18.438 19.000 0.174 0.000 0.794 532 A HN 1.820 nan 8.150 nan 0.000 0.459 533 G N -3.674 105.062 108.800 -0.106 0.000 2.273 533 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.162 533 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.162 533 G C -0.143 174.539 174.900 -0.362 0.000 1.006 533 G CA -0.177 44.766 45.100 -0.262 0.000 0.704 533 G HN 0.326 nan 8.290 nan 0.000 0.487 534 Y N 0.895 121.183 120.300 -0.020 0.000 2.376 534 Y HA 0.557 5.107 4.550 -0.001 0.000 0.325 534 Y C 0.554 176.437 175.900 -0.029 0.000 1.199 534 Y CA -0.748 57.336 58.100 -0.027 0.000 1.206 534 Y CB 0.961 39.400 38.460 -0.034 0.000 1.229 534 Y HN 0.104 nan 8.280 nan 0.000 0.480 535 D N 1.316 121.794 120.400 0.130 0.000 2.371 535 D HA 0.063 4.702 4.640 -0.001 0.000 0.256 535 D C 1.309 177.630 176.300 0.035 0.000 1.193 535 D CA 0.023 54.056 54.000 0.054 0.000 0.881 535 D CB 0.751 41.572 40.800 0.036 0.000 1.143 535 D HN 0.567 nan 8.370 nan 0.000 0.473 536 R N 3.378 123.888 120.500 0.016 0.000 2.113 536 R HA -0.229 4.111 4.340 -0.001 0.000 0.244 536 R C 1.673 177.954 176.300 -0.032 0.000 1.142 536 R CA 1.811 57.907 56.100 -0.008 0.000 0.953 536 R CB -0.064 30.236 30.300 -0.000 0.000 0.860 536 R HN 0.677 nan 8.270 nan 0.000 0.438 537 E N -0.071 120.115 120.200 -0.023 0.000 2.077 537 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 537 E C 1.955 178.529 176.600 -0.044 0.000 0.989 537 E CA 1.330 57.710 56.400 -0.034 0.000 0.800 537 E CB -0.046 29.641 29.700 -0.022 0.000 0.746 537 E HN 0.325 nan 8.360 nan 0.000 0.452 538 L N 0.243 121.447 121.223 -0.031 0.000 2.109 538 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 538 L C 2.182 179.007 176.870 -0.074 0.000 1.086 538 L CA 1.006 55.822 54.840 -0.040 0.000 0.760 538 L CB -0.140 41.910 42.059 -0.015 0.000 0.910 538 L HN -0.038 nan 8.230 nan 0.000 0.437 539 V N -1.337 118.532 119.914 -0.075 0.000 2.261 539 V HA -0.273 3.847 4.120 -0.001 0.000 0.246 539 V C 2.458 178.447 176.094 -0.176 0.000 1.047 539 V CA 1.718 63.939 62.300 -0.130 0.000 1.015 539 V CB -0.592 31.171 31.823 -0.099 0.000 0.642 539 V HN 0.300 nan 8.190 nan 0.000 0.446 540 V N 0.040 119.864 119.914 -0.149 0.000 2.255 540 V HA -0.351 3.768 4.120 -0.001 0.000 0.247 540 V C 2.458 178.456 176.094 -0.159 0.000 1.051 540 V CA 2.605 64.803 62.300 -0.170 0.000 1.018 540 V CB -0.706 31.026 31.823 -0.152 0.000 0.641 540 V HN 0.563 nan 8.190 nan 0.000 0.445 541 K N -0.272 120.056 120.400 -0.119 0.000 2.063 541 K HA -0.203 4.116 4.320 -0.001 0.000 0.208 541 K C 2.120 178.653 176.600 -0.110 0.000 1.048 541 K CA 2.156 58.385 56.287 -0.097 0.000 0.928 541 K CB -0.400 32.061 32.500 -0.065 0.000 0.713 541 K HN 0.558 nan 8.250 nan 0.000 0.442 542 T N 1.472 115.945 114.554 -0.134 0.000 2.737 542 T HA -0.093 4.256 4.350 -0.001 0.000 0.265 542 T C 1.705 176.291 174.700 -0.190 0.000 1.038 542 T CA 1.454 63.466 62.100 -0.148 0.000 1.144 542 T CB -0.159 68.612 68.868 -0.162 0.000 0.866 542 T HN 0.147 nan 8.240 nan 0.000 0.434 543 L N 0.141 121.182 121.223 -0.304 0.000 2.093 543 L HA -0.020 4.320 4.340 -0.001 0.000 0.208 543 L C 2.879 179.642 176.870 -0.178 0.000 1.085 543 L CA 1.159 55.734 54.840 -0.443 0.000 0.755 543 L CB -0.526 41.122 42.059 -0.685 0.000 0.904 543 L HN 0.118 nan 8.230 nan 0.000 0.435 544 R N 0.065 120.476 120.500 -0.150 0.000 2.083 544 R HA -0.134 4.206 4.340 -0.001 0.000 0.237 544 R C 2.407 178.679 176.300 -0.046 0.000 1.137 544 R CA 1.683 57.728 56.100 -0.092 0.000 0.951 544 R CB -0.301 29.935 30.300 -0.107 0.000 0.851 544 R HN 0.219 nan 8.270 nan 0.000 0.434 545 M N -0.519 119.043 119.600 -0.064 0.000 2.149 545 M HA -0.206 4.273 4.480 -0.001 0.000 0.261 545 M C 2.021 178.304 176.300 -0.029 0.000 1.064 545 M CA 1.438 56.701 55.300 -0.062 0.000 1.102 545 M CB -0.107 32.425 32.600 -0.112 0.000 1.369 545 M HN 0.049 nan 8.290 nan 0.000 0.408 546 V N 0.129 120.053 119.914 0.017 0.000 2.307 546 V HA -0.264 3.856 4.120 -0.001 0.000 0.245 546 V C 1.692 177.873 176.094 0.146 0.000 1.045 546 V CA 1.874 64.246 62.300 0.121 0.000 1.024 546 V CB -0.738 31.253 31.823 0.280 0.000 0.651 546 V HN 0.380 nan 8.190 nan 0.000 0.449 547 D N 0.696 121.190 120.400 0.158 0.000 2.123 547 D HA -0.145 4.495 4.640 -0.001 0.000 0.196 547 D C 2.275 178.643 176.300 0.114 0.000 0.992 547 D CA 2.098 56.193 54.000 0.158 0.000 0.833 547 D CB -0.426 40.471 40.800 0.162 0.000 0.954 547 D HN 0.627 nan 8.370 nan 0.000 0.455 548 T N -2.140 112.464 114.554 0.084 0.000 3.113 548 T HA 0.279 4.628 4.350 -0.001 0.000 0.256 548 T C 1.635 176.430 174.700 0.158 0.000 1.131 548 T CA 0.545 62.707 62.100 0.103 0.000 1.074 548 T CB 0.154 69.065 68.868 0.072 0.000 0.944 548 T HN 0.075 nan 8.240 nan 0.000 0.516 549 A N 1.023 123.885 122.820 0.069 0.000 2.238 549 A HA 0.172 4.492 4.320 -0.001 0.000 0.208 549 A C 2.242 179.791 177.584 -0.058 0.000 1.177 549 A CA 0.030 52.053 52.037 -0.023 0.000 0.804 549 A CB -0.387 18.543 19.000 -0.116 0.000 0.823 549 A HN 0.307 nan 8.150 nan 0.000 0.482 550 E N 0.026 120.258 120.200 0.053 0.000 2.049 550 E HA -0.250 4.099 4.350 -0.001 0.000 0.198 550 E C 1.738 178.366 176.600 0.046 0.000 1.007 550 E CA 2.056 58.475 56.400 0.033 0.000 0.809 550 E CB -0.514 29.238 29.700 0.086 0.000 0.749 550 E HN 0.951 nan 8.360 nan 0.000 0.450 551 Y N 0.365 120.644 120.300 -0.034 0.000 2.333 551 Y HA -0.090 4.460 4.550 -0.001 0.000 0.290 551 Y C 2.083 177.967 175.900 -0.026 0.000 1.144 551 Y CA 1.160 59.246 58.100 -0.022 0.000 1.228 551 Y CB -0.222 38.233 38.460 -0.008 0.000 0.985 551 Y HN -0.123 nan 8.280 nan 0.000 0.542 552 K N 1.123 121.144 120.400 -0.631 0.000 2.001 552 K HA -0.108 4.212 4.320 -0.001 0.000 0.208 552 K C 2.139 178.591 176.600 -0.248 0.000 1.048 552 K CA 1.778 57.754 56.287 -0.519 0.000 0.932 552 K CB -0.227 31.965 32.500 -0.514 0.000 0.715 552 K HN 0.527 nan 8.250 nan 0.000 0.437 553 R N 0.733 121.074 120.500 -0.265 0.000 2.323 553 R HA 0.050 4.389 4.340 -0.001 0.000 0.198 553 R C 1.770 177.988 176.300 -0.137 0.000 0.988 553 R CA 0.534 56.476 56.100 -0.264 0.000 1.041 553 R CB -0.065 29.937 30.300 -0.497 0.000 0.926 553 R HN 0.062 nan 8.270 nan 0.000 0.476 554 R N 0.932 121.381 120.500 -0.084 0.000 2.100 554 R HA 0.029 4.368 4.340 -0.001 0.000 0.220 554 R C 1.294 177.590 176.300 -0.006 0.000 1.091 554 R CA 1.006 57.089 56.100 -0.029 0.000 0.986 554 R CB 0.128 30.431 30.300 0.004 0.000 0.888 554 R HN 0.383 nan 8.270 nan 0.000 0.444 555 Q N -0.450 119.347 119.800 -0.006 0.000 2.222 555 Q HA 0.060 4.399 4.340 -0.001 0.000 0.206 555 Q C -0.842 175.158 176.000 0.000 0.000 0.877 555 Q CA -0.147 55.654 55.803 -0.003 0.000 0.958 555 Q CB 0.445 29.179 28.738 -0.007 0.000 1.075 555 Q HN 0.177 nan 8.270 nan 0.000 0.483 556 Y N 2.670 122.899 120.300 -0.119 0.000 2.299 556 Y HA 0.201 4.750 4.550 -0.001 0.000 0.326 556 Y C -1.905 173.920 175.900 -0.124 0.000 1.164 556 Y CA -2.565 55.456 58.100 -0.131 0.000 1.234 556 Y CB 0.686 39.044 38.460 -0.170 0.000 1.219 556 Y HN 0.079 nan 8.280 nan 0.000 0.497 557 P HA 0.038 nan 4.420 nan 0.000 0.269 557 P C -2.671 174.497 177.300 -0.219 0.000 1.217 557 P CA -0.888 62.018 63.100 -0.324 0.000 0.783 557 P CB -0.192 31.234 31.700 -0.457 0.000 0.898 558 P HA 0.258 nan 4.420 nan 0.000 0.271 558 P C 0.057 176.957 177.300 -0.667 0.000 1.233 558 P CA 0.396 63.322 63.100 -0.290 0.000 0.789 558 P CB 0.370 31.962 31.700 -0.180 0.000 0.951 559 G N -0.882 107.517 108.800 -0.667 0.000 2.519 559 G HA2 0.337 4.296 3.960 -0.001 0.000 0.292 559 G HA3 0.337 4.296 3.960 -0.001 0.000 0.292 559 G C -1.218 173.427 174.900 -0.425 0.000 1.507 559 G CA -0.566 43.957 45.100 -0.962 0.000 0.806 559 G HN 0.389 nan 8.290 nan 0.000 0.523 560 T N 2.720 117.108 114.554 -0.277 0.000 2.871 560 T HA 0.214 4.563 4.350 -0.001 0.000 0.296 560 T C 0.244 174.908 174.700 -0.060 0.000 0.998 560 T CA 0.160 62.239 62.100 -0.035 0.000 1.162 560 T CB 0.446 69.335 68.868 0.035 0.000 0.947 560 T HN 0.312 nan 8.240 nan 0.000 0.536 561 K N 3.349 123.732 120.400 -0.028 0.000 2.172 561 K HA 0.347 4.667 4.320 -0.001 0.000 0.276 561 K C 1.095 177.692 176.600 -0.005 0.000 1.013 561 K CA -0.547 55.713 56.287 -0.044 0.000 0.913 561 K CB 1.444 33.910 32.500 -0.056 0.000 1.055 561 K HN 0.700 nan 8.250 nan 0.000 0.461 562 I N -1.733 118.809 120.570 -0.047 0.000 4.227 562 I HA 0.113 4.282 4.170 -0.001 0.000 0.334 562 I C 0.040 176.028 176.117 -0.214 0.000 1.341 562 I CA -0.351 60.913 61.300 -0.060 0.000 1.123 562 I CB 0.758 38.778 38.000 0.034 0.000 1.097 562 I HN 0.261 nan 8.210 nan 0.000 0.399 563 S N 0.584 116.181 115.700 -0.172 0.000 2.557 563 S HA 0.774 5.244 4.470 -0.001 0.000 0.291 563 S C 0.557 175.067 174.600 -0.149 0.000 1.116 563 S CA -0.234 57.860 58.200 -0.177 0.000 0.992 563 S CB 2.213 65.319 63.200 -0.156 0.000 1.028 563 S HN 0.180 nan 8.310 nan 0.000 0.484 564 A N 2.419 125.155 122.820 -0.140 0.000 1.929 564 A HA 0.152 4.471 4.320 -0.001 0.000 0.216 564 A C 0.855 178.377 177.584 -0.105 0.000 1.176 564 A CA 0.846 52.815 52.037 -0.114 0.000 0.628 564 A CB -0.324 18.620 19.000 -0.093 0.000 0.816 564 A HN 0.761 nan 8.150 nan 0.000 0.444 565 K N -0.084 120.250 120.400 -0.110 0.000 2.299 565 K HA 0.503 4.823 4.320 -0.001 0.000 0.268 565 K C 0.229 176.735 176.600 -0.157 0.000 1.075 565 K CA 0.186 56.403 56.287 -0.117 0.000 0.936 565 K CB 1.093 33.531 32.500 -0.103 0.000 1.228 565 K HN 0.397 nan 8.250 nan 0.000 0.454 566 G N 2.011 110.700 108.800 -0.184 0.000 2.899 566 G HA2 0.239 4.199 3.960 -0.001 0.000 0.137 566 G HA3 0.239 4.199 3.960 -0.001 0.000 0.137 566 G C -1.329 173.382 174.900 -0.315 0.000 1.198 566 G CA -0.547 44.371 45.100 -0.303 0.000 1.126 566 G HN 0.250 nan 8.290 nan 0.000 0.589 567 F N 1.053 120.937 119.950 -0.110 0.000 2.370 567 F HA 0.728 5.255 4.527 -0.001 0.000 0.319 567 F C 1.116 176.862 175.800 -0.091 0.000 1.129 567 F CA 0.530 58.470 58.000 -0.100 0.000 1.109 567 F CB 1.482 40.413 39.000 -0.115 0.000 1.262 567 F HN 0.934 nan 8.300 nan 0.000 0.534 568 G N 0.936 109.835 108.800 0.164 0.000 2.327 568 G HA2 0.157 4.117 3.960 -0.001 0.000 0.291 568 G HA3 0.157 4.117 3.960 -0.001 0.000 0.291 568 G C -0.456 174.470 174.900 0.043 0.000 1.290 568 G CA -0.819 44.315 45.100 0.056 0.000 0.857 568 G HN 0.313 nan 8.290 nan 0.000 0.520 569 K N -0.312 120.101 120.400 0.022 0.000 2.334 569 K HA 0.136 4.456 4.320 -0.001 0.000 0.195 569 K C 1.528 178.142 176.600 0.023 0.000 1.045 569 K CA 0.951 57.252 56.287 0.022 0.000 1.004 569 K CB 0.194 32.707 32.500 0.021 0.000 0.837 569 K HN 0.472 nan 8.250 nan 0.000 0.510 570 D N 1.379 121.787 120.400 0.014 0.000 2.104 570 D HA -0.124 4.515 4.640 -0.001 0.000 0.194 570 D C 0.086 176.392 176.300 0.010 0.000 0.994 570 D CA 1.193 55.198 54.000 0.009 0.000 0.830 570 D CB 0.387 41.181 40.800 -0.010 0.000 0.959 570 D HN -0.100 nan 8.370 nan 0.000 0.452 571 R N 0.395 120.902 120.500 0.012 0.000 2.295 571 R HA 0.500 4.840 4.340 -0.001 0.000 0.324 571 R C -0.220 176.103 176.300 0.039 0.000 0.968 571 R CA -0.468 55.640 56.100 0.013 0.000 0.837 571 R CB 1.553 31.847 30.300 -0.009 0.000 1.133 571 R HN 0.345 nan 8.270 nan 0.000 0.450 572 R N 1.492 122.012 120.500 0.033 0.000 2.710 572 R HA 0.570 4.909 4.340 -0.001 0.000 0.270 572 R C -1.230 175.094 176.300 0.040 0.000 1.021 572 R CA -0.885 55.242 56.100 0.044 0.000 0.889 572 R CB 1.182 31.504 30.300 0.037 0.000 1.243 572 R HN 0.319 nan 8.270 nan 0.000 0.464 573 L N 0.901 122.155 121.223 0.052 0.000 2.332 573 L HA 0.639 4.979 4.340 -0.001 0.000 0.269 573 L C -2.133 174.770 176.870 0.055 0.000 1.016 573 L CA -2.591 52.284 54.840 0.058 0.000 0.809 573 L CB 2.017 44.128 42.059 0.086 0.000 1.280 573 L HN 0.519 nan 8.230 nan 0.000 0.447 574 P HA 0.247 nan 4.420 nan 0.000 0.274 574 P C 0.416 177.750 177.300 0.058 0.000 1.231 574 P CA -0.250 62.880 63.100 0.049 0.000 0.790 574 P CB 1.003 32.729 31.700 0.043 0.000 0.951 575 I N -0.358 120.241 120.570 0.049 0.000 2.206 575 I HA -0.082 4.087 4.170 -0.001 0.000 0.239 575 I C 0.692 176.819 176.117 0.017 0.000 1.078 575 I CA 1.178 62.505 61.300 0.044 0.000 1.367 575 I CB -0.758 37.266 38.000 0.039 0.000 1.078 575 I HN 0.269 nan 8.210 nan 0.000 0.413 576 T N 3.381 117.941 114.554 0.010 0.000 2.765 576 T HA 0.087 4.437 4.350 -0.001 0.000 0.284 576 T C -0.083 174.637 174.700 0.034 0.000 0.946 576 T CA 0.322 62.427 62.100 0.009 0.000 1.185 576 T CB -0.425 68.447 68.868 0.006 0.000 0.887 576 T HN 0.212 nan 8.240 nan 0.000 0.532 577 N N 1.958 120.685 118.700 0.045 0.000 2.976 577 N HA 0.114 4.853 4.740 -0.001 0.000 0.249 577 N C 0.130 175.699 175.510 0.098 0.000 1.258 577 N CA -0.618 52.484 53.050 0.088 0.000 0.864 577 N CB 0.876 39.427 38.487 0.107 0.000 1.551 577 N HN 0.207 nan 8.380 nan 0.000 0.607 578 R N 1.127 121.694 120.500 0.113 0.000 2.334 578 R HA 0.098 4.438 4.340 -0.001 0.000 0.220 578 R C 0.049 176.444 176.300 0.158 0.000 0.917 578 R CA -0.193 55.967 56.100 0.099 0.000 1.073 578 R CB 0.065 30.411 30.300 0.077 0.000 1.056 578 R HN 0.543 nan 8.270 nan 0.000 0.506 579 W N 1.900 123.208 121.300 0.014 0.000 2.266 579 W HA 0.193 4.853 4.660 -0.001 0.000 0.317 579 W C -0.874 175.656 176.519 0.019 0.000 1.310 579 W CA -0.320 57.037 57.345 0.019 0.000 1.207 579 W CB 0.525 30.000 29.460 0.025 0.000 1.199 579 W HN -0.229 nan 8.180 nan 0.000 0.544 580 R N 4.033 124.037 120.500 -0.827 0.000 2.439 580 R HA 0.132 4.471 4.340 -0.001 0.000 0.310 580 R C -0.693 174.860 176.300 -1.246 0.000 0.955 580 R CA -0.627 55.010 56.100 -0.772 0.000 0.853 580 R CB 1.365 31.410 30.300 -0.424 0.000 1.171 580 R HN 0.430 nan 8.270 nan 0.000 0.449 581 E N 1.619 121.350 120.200 -0.782 0.000 2.360 581 E HA 0.498 4.848 4.350 -0.001 0.000 0.269 581 E C -0.062 176.305 176.600 -0.389 0.000 1.022 581 E CA 1.074 57.191 56.400 -0.472 0.000 0.887 581 E CB 0.851 30.485 29.700 -0.110 0.000 0.990 581 E HN 0.735 nan 8.360 nan 0.000 0.426 582 G N 2.931 111.514 108.800 -0.361 0.000 2.663 582 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.686 582 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.686 582 G C -0.815 173.863 174.900 -0.370 0.000 1.246 582 G CA -0.541 44.302 45.100 -0.428 0.000 0.795 582 G HN 0.611 nan 8.290 nan 0.000 0.627 583 H N 0.000 119.017 119.070 -0.089 0.000 2.539 583 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 583 H CA 0.000 56.006 56.048 -0.070 0.000 1.023 583 H CB 0.000 29.744 29.762 -0.031 0.000 1.292 583 H HN 0.000 nan 8.280 nan 0.000 0.496