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 2ijn_1_A DATA FIRST_RESID 1 DATA SEQUENCE HHSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGVQ EDAASLRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSL 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 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.261 175.328 -0.111 0.000 0.993 1 H CA 0.000 55.944 56.048 -0.172 0.000 1.023 1 H CB 0.000 29.703 29.762 -0.098 0.000 1.292 2 H N 1.238 120.321 119.070 0.021 0.000 2.652 2 H HA 0.112 4.667 4.556 -0.001 0.000 0.349 2 H C 1.494 176.748 175.328 -0.124 0.000 1.099 2 H CA 0.726 56.763 56.048 -0.019 0.000 1.417 2 H CB 1.405 31.157 29.762 -0.016 0.000 1.457 2 H HN 0.278 nan 8.280 nan 0.000 0.568 3 S N 2.130 117.772 115.700 -0.096 0.000 2.382 3 S HA -0.086 4.383 4.470 -0.001 0.000 0.228 3 S C 0.176 174.421 174.600 -0.592 0.000 1.027 3 S CA 0.986 58.965 58.200 -0.368 0.000 0.991 3 S CB -0.061 62.830 63.200 -0.516 0.000 0.823 3 S HN 0.556 nan 8.310 nan 0.000 0.469 4 Y N 0.548 120.725 120.300 -0.205 0.000 2.644 4 Y HA 0.580 5.130 4.550 -0.001 0.000 0.338 4 Y C -0.353 175.259 175.900 -0.480 0.000 1.119 4 Y CA -0.847 56.988 58.100 -0.441 0.000 1.060 4 Y CB 1.993 40.041 38.460 -0.687 0.000 1.294 4 Y HN 0.133 nan 8.280 nan 0.000 0.472 5 T N -2.378 111.857 114.554 -0.532 0.000 3.032 5 T HA 0.595 4.945 4.350 -0.001 0.000 0.312 5 T C -1.510 172.872 174.700 -0.530 0.000 1.078 5 T CA -0.891 60.992 62.100 -0.362 0.000 1.028 5 T CB 0.746 69.556 68.868 -0.097 0.000 1.091 5 T HN 0.531 nan 8.240 nan 0.000 0.457 6 W N 1.157 122.511 121.300 0.089 0.000 2.706 6 W HA 0.548 5.208 4.660 -0.001 0.000 0.346 6 W C 1.470 178.017 176.519 0.047 0.000 1.071 6 W CA -0.653 56.727 57.345 0.059 0.000 1.206 6 W CB 1.870 31.344 29.460 0.024 0.000 1.413 6 W HN 0.869 nan 8.180 nan 0.000 0.542 7 T N -2.986 111.746 114.554 0.295 0.000 3.040 7 T HA 0.364 4.713 4.350 -0.001 0.000 0.252 7 T C 1.330 176.114 174.700 0.140 0.000 1.064 7 T CA 0.866 63.068 62.100 0.170 0.000 1.110 7 T CB 0.116 69.062 68.868 0.131 0.000 0.921 7 T HN 1.163 nan 8.240 nan 0.000 0.480 8 G N 1.157 110.048 108.800 0.151 0.000 2.367 8 G HA2 0.141 4.100 3.960 -0.001 0.000 0.181 8 G HA3 0.141 4.100 3.960 -0.001 0.000 0.181 8 G C 0.303 175.229 174.900 0.043 0.000 1.000 8 G CA -0.171 44.974 45.100 0.075 0.000 0.693 8 G HN 0.994 nan 8.290 nan 0.000 0.480 9 A N 1.258 124.118 122.820 0.067 0.000 2.477 9 A HA 0.655 4.975 4.320 -0.001 0.000 0.246 9 A C 0.778 178.370 177.584 0.012 0.000 1.078 9 A CA 0.108 52.171 52.037 0.042 0.000 0.770 9 A CB 0.121 19.157 19.000 0.060 0.000 1.011 9 A HN 0.826 nan 8.150 nan 0.000 0.494 10 L N 2.596 123.812 121.223 -0.012 0.000 2.436 10 L HA 0.214 4.553 4.340 -0.001 0.000 0.265 10 L C 0.125 176.975 176.870 -0.033 0.000 1.168 10 L CA -0.746 54.068 54.840 -0.045 0.000 0.815 10 L CB 0.350 42.387 42.059 -0.037 0.000 1.109 10 L HN 0.483 nan 8.230 nan 0.000 0.462 11 I N 1.842 122.375 120.570 -0.061 0.000 2.421 11 I HA 0.059 4.229 4.170 -0.001 0.000 0.291 11 I C 0.713 176.822 176.117 -0.014 0.000 1.089 11 I CA 0.217 61.497 61.300 -0.033 0.000 1.354 11 I CB 0.263 38.229 38.000 -0.056 0.000 1.413 11 I HN 0.643 nan 8.210 nan 0.000 0.513 12 T N 6.246 120.802 114.554 0.003 0.000 2.907 12 T HA 0.561 4.911 4.350 -0.001 0.000 0.284 12 T C -2.378 172.335 174.700 0.022 0.000 1.004 12 T CA -1.786 60.320 62.100 0.010 0.000 1.063 12 T CB 1.690 70.564 68.868 0.010 0.000 0.992 12 T HN 0.361 nan 8.240 nan 0.000 0.483 13 P HA 0.236 nan 4.420 nan 0.000 0.277 13 P C 0.807 178.128 177.300 0.036 0.000 1.240 13 P CA -0.773 62.348 63.100 0.035 0.000 0.798 13 P CB 0.780 32.501 31.700 0.035 0.000 0.979 14 C N 0.447 119.773 119.300 0.044 0.000 2.673 14 C HA 0.755 5.214 4.460 -0.001 0.000 0.274 14 C C 0.817 175.828 174.990 0.035 0.000 1.276 14 C CA 0.146 59.189 59.018 0.041 0.000 1.701 14 C CB -1.466 26.306 27.740 0.055 0.000 1.836 14 C HN 0.730 nan 8.230 nan 0.000 0.596 15 A N 0.070 122.913 122.820 0.037 0.000 2.775 15 A HA 0.750 5.070 4.320 -0.001 0.000 0.305 15 A C -0.765 176.845 177.584 0.043 0.000 1.082 15 A CA -0.058 52.002 52.037 0.038 0.000 0.591 15 A CB -0.501 18.523 19.000 0.040 0.000 1.472 15 A HN 1.398 nan 8.150 nan 0.000 0.636 16 A N -0.061 122.787 122.820 0.048 0.000 2.401 16 A HA 0.582 4.901 4.320 -0.001 0.000 0.259 16 A C -0.124 177.504 177.584 0.073 0.000 1.103 16 A CA 0.274 52.345 52.037 0.056 0.000 0.789 16 A CB -0.164 18.870 19.000 0.056 0.000 1.035 16 A HN 0.554 nan 8.150 nan 0.000 0.491 17 E N 1.222 121.470 120.200 0.079 0.000 2.187 17 E HA 0.343 4.693 4.350 -0.001 0.000 0.268 17 E C -1.011 175.670 176.600 0.134 0.000 0.896 17 E CA -0.381 56.079 56.400 0.100 0.000 0.766 17 E CB 1.781 31.530 29.700 0.081 0.000 1.142 17 E HN 0.748 nan 8.360 nan 0.000 0.408 18 E N 1.173 121.495 120.200 0.202 0.000 2.166 18 E HA 0.242 4.591 4.350 -0.001 0.000 0.275 18 E C -0.189 176.629 176.600 0.364 0.000 0.941 18 E CA -0.187 56.377 56.400 0.272 0.000 0.784 18 E CB 1.677 31.579 29.700 0.337 0.000 1.115 18 E HN 0.405 nan 8.360 nan 0.000 0.399 19 S N 2.480 118.363 115.700 0.305 0.000 2.510 19 S HA 0.004 4.474 4.470 -0.001 0.000 0.230 19 S C 0.693 175.543 174.600 0.416 0.000 1.066 19 S CA 0.044 58.442 58.200 0.330 0.000 0.941 19 S CB 0.234 63.566 63.200 0.220 0.000 0.829 19 S HN 0.358 nan 8.310 nan 0.000 0.530 20 K N 2.081 122.645 120.400 0.274 0.000 2.326 20 K HA 0.191 4.511 4.320 -0.001 0.000 0.275 20 K C -0.458 176.178 176.600 0.061 0.000 1.018 20 K CA -0.523 55.878 56.287 0.191 0.000 0.962 20 K CB 0.353 32.908 32.500 0.092 0.000 0.953 20 K HN 0.048 nan 8.250 nan 0.000 0.475 21 L N 7.163 128.417 121.223 0.050 0.000 2.597 21 L HA 0.143 4.483 4.340 -0.001 0.000 0.271 21 L C -2.351 174.268 176.870 -0.418 0.000 1.157 21 L CA -0.983 53.721 54.840 -0.228 0.000 0.928 21 L CB 0.013 42.069 42.059 -0.005 0.000 1.216 21 L HN 0.568 nan 8.230 nan 0.000 0.481 22 P HA 0.166 nan 4.420 nan 0.000 0.268 22 P C -0.951 176.120 177.300 -0.383 0.000 1.205 22 P CA 0.105 62.907 63.100 -0.497 0.000 0.771 22 P CB 0.526 31.861 31.700 -0.609 0.000 0.858 23 I N 2.955 123.364 120.570 -0.268 0.000 2.465 23 I HA 0.364 4.534 4.170 -0.001 0.000 0.291 23 I C 0.323 176.348 176.117 -0.154 0.000 1.014 23 I CA -0.666 60.484 61.300 -0.250 0.000 1.093 23 I CB 1.606 39.456 38.000 -0.250 0.000 1.267 23 I HN 0.471 nan 8.210 nan 0.000 0.431 24 N N 4.211 122.835 118.700 -0.126 0.000 3.283 24 N HA 0.462 5.201 4.740 -0.001 0.000 0.338 24 N C 0.361 175.844 175.510 -0.045 0.000 1.517 24 N CA -0.482 52.525 53.050 -0.072 0.000 0.733 24 N CB 0.569 39.019 38.487 -0.062 0.000 1.797 24 N HN 0.387 nan 8.380 nan 0.000 0.637 25 A N -0.774 122.031 122.820 -0.026 0.000 2.209 25 A HA 0.193 4.513 4.320 -0.001 0.000 0.212 25 A C 1.580 179.162 177.584 -0.004 0.000 1.158 25 A CA 0.630 52.660 52.037 -0.012 0.000 0.742 25 A CB -0.910 18.084 19.000 -0.010 0.000 0.790 25 A HN 0.533 nan 8.150 nan 0.000 0.472 26 L N -1.559 119.660 121.223 -0.006 0.000 2.515 26 L HA 0.026 4.366 4.340 -0.001 0.000 0.223 26 L C 2.438 179.344 176.870 0.060 0.000 1.079 26 L CA 0.545 55.400 54.840 0.025 0.000 0.857 26 L CB -0.238 41.822 42.059 0.001 0.000 1.050 26 L HN 0.217 nan 8.230 nan 0.000 0.476 27 S N 0.881 116.586 115.700 0.007 0.000 2.368 27 S HA -0.197 4.273 4.470 -0.001 0.000 0.226 27 S C 1.697 176.338 174.600 0.068 0.000 1.044 27 S CA 1.756 59.949 58.200 -0.012 0.000 1.062 27 S CB -0.388 62.719 63.200 -0.155 0.000 0.931 27 S HN 0.468 nan 8.310 nan 0.000 0.440 28 N N 1.542 120.302 118.700 0.100 0.000 2.223 28 N HA -0.074 4.665 4.740 -0.001 0.000 0.185 28 N C 1.945 177.488 175.510 0.054 0.000 1.016 28 N CA 1.369 54.492 53.050 0.123 0.000 0.863 28 N CB -0.575 37.968 38.487 0.095 0.000 0.983 28 N HN 0.627 nan 8.380 nan 0.000 0.429 29 S N -0.027 115.698 115.700 0.042 0.000 2.447 29 S HA -0.064 4.405 4.470 -0.001 0.000 0.233 29 S C 1.824 176.441 174.600 0.028 0.000 1.006 29 S CA 0.523 58.725 58.200 0.004 0.000 0.957 29 S CB -0.162 63.062 63.200 0.040 0.000 0.773 29 S HN 0.241 nan 8.310 nan 0.000 0.507 30 L N -0.134 121.115 121.223 0.044 0.000 2.347 30 L HA 0.593 4.933 4.340 -0.001 0.000 0.196 30 L C 0.211 177.127 176.870 0.076 0.000 1.072 30 L CA 0.783 55.642 54.840 0.032 0.000 0.817 30 L CB 0.129 41.952 42.059 -0.395 0.000 1.029 30 L HN 0.490 nan 8.230 nan 0.000 0.478 31 L N -0.815 120.447 121.223 0.065 0.000 2.431 31 L HA 0.421 4.760 4.340 -0.001 0.000 0.266 31 L C 0.453 177.416 176.870 0.156 0.000 0.978 31 L CA -0.468 54.424 54.840 0.086 0.000 0.822 31 L CB 1.784 43.909 42.059 0.110 0.000 1.310 31 L HN 0.050 nan 8.230 nan 0.000 0.409 32 R N 0.967 121.447 120.500 -0.033 0.000 2.191 32 R HA 0.184 4.523 4.340 -0.001 0.000 0.196 32 R C 0.144 176.252 176.300 -0.320 0.000 0.991 32 R CA 0.065 56.045 56.100 -0.200 0.000 1.075 32 R CB 0.239 30.455 30.300 -0.141 0.000 1.040 32 R HN 0.659 nan 8.270 nan 0.000 0.526 33 H N 0.834 119.826 119.070 -0.130 0.000 3.220 33 H HA 0.038 4.593 4.556 -0.001 0.000 0.225 33 H C 0.457 175.808 175.328 0.039 0.000 1.869 33 H CA -0.297 55.704 56.048 -0.078 0.000 1.428 33 H CB -0.178 29.582 29.762 -0.002 0.000 1.792 33 H HN 0.385 nan 8.280 nan 0.000 0.595 34 H N 0.460 119.623 119.070 0.155 0.000 2.460 34 H HA -0.149 4.406 4.556 -0.001 0.000 0.297 34 H C 1.527 176.933 175.328 0.129 0.000 1.103 34 H CA 0.482 56.598 56.048 0.114 0.000 1.292 34 H CB 0.313 30.118 29.762 0.070 0.000 1.376 34 H HN 0.517 nan 8.280 nan 0.000 0.531 35 N N 0.494 119.322 118.700 0.214 0.000 2.453 35 N HA -0.079 4.661 4.740 -0.001 0.000 0.183 35 N C 1.404 177.023 175.510 0.182 0.000 1.041 35 N CA 0.859 54.008 53.050 0.164 0.000 0.900 35 N CB 0.023 38.564 38.487 0.090 0.000 0.961 35 N HN 0.505 nan 8.380 nan 0.000 0.443 36 M N -0.004 119.719 119.600 0.205 0.000 2.558 36 M HA 0.069 4.548 4.480 -0.001 0.000 0.255 36 M C 0.003 176.485 176.300 0.304 0.000 1.113 36 M CA 0.367 55.800 55.300 0.221 0.000 1.097 36 M CB 0.565 33.282 32.600 0.195 0.000 1.426 36 M HN -0.246 nan 8.290 nan 0.000 0.488 37 V N 1.210 121.309 119.914 0.308 0.000 2.435 37 V HA 0.374 4.494 4.120 -0.001 0.000 0.290 37 V C -0.753 175.592 176.094 0.419 0.000 1.030 37 V CA -0.720 61.767 62.300 0.312 0.000 0.881 37 V CB 0.775 32.755 31.823 0.263 0.000 0.983 37 V HN 0.329 nan 8.190 nan 0.000 0.445 38 Y N 2.526 122.982 120.300 0.259 0.000 2.655 38 Y HA 0.925 5.475 4.550 -0.001 0.000 0.336 38 Y C -0.547 175.450 175.900 0.161 0.000 1.154 38 Y CA -1.534 56.731 58.100 0.276 0.000 1.055 38 Y CB 1.495 40.074 38.460 0.198 0.000 1.295 38 Y HN 0.695 nan 8.280 nan 0.000 0.465 39 A N 1.161 124.059 122.820 0.131 0.000 2.355 39 A HA 0.696 5.015 4.320 -0.001 0.000 0.317 39 A C -0.277 177.391 177.584 0.140 0.000 1.094 39 A CA -0.393 51.530 52.037 -0.189 0.000 0.764 39 A CB 0.649 19.345 19.000 -0.507 0.000 1.230 39 A HN 1.115 nan 8.150 nan 0.000 0.448 40 T N 0.056 114.679 114.554 0.115 0.000 2.899 40 T HA 0.617 4.967 4.350 -0.001 0.000 0.295 40 T C 0.387 175.152 174.700 0.108 0.000 1.033 40 T CA 0.364 62.589 62.100 0.209 0.000 1.084 40 T CB 0.905 69.909 68.868 0.227 0.000 0.979 40 T HN 1.460 nan 8.240 nan 0.000 0.532 41 T N -2.156 112.462 114.554 0.106 0.000 2.812 41 T HA 0.476 4.825 4.350 -0.001 0.000 0.294 41 T C 1.400 176.131 174.700 0.052 0.000 1.159 41 T CA -0.241 61.902 62.100 0.072 0.000 1.008 41 T CB 1.179 70.095 68.868 0.080 0.000 1.289 41 T HN 0.721 nan 8.240 nan 0.000 0.514 42 S N 0.045 115.767 115.700 0.037 0.000 2.440 42 S HA -0.147 4.323 4.470 -0.001 0.000 0.238 42 S C 1.845 176.446 174.600 0.002 0.000 1.010 42 S CA 0.628 58.837 58.200 0.015 0.000 0.972 42 S CB -0.740 62.468 63.200 0.013 0.000 0.774 42 S HN 0.711 nan 8.310 nan 0.000 0.501 43 R N 1.422 121.932 120.500 0.016 0.000 2.211 43 R HA -0.081 4.259 4.340 -0.001 0.000 0.240 43 R C 1.912 178.207 176.300 -0.008 0.000 1.144 43 R CA 1.557 57.660 56.100 0.006 0.000 0.992 43 R CB -0.403 29.910 30.300 0.021 0.000 0.869 43 R HN 0.749 nan 8.270 nan 0.000 0.462 44 S N -1.654 114.045 115.700 -0.002 0.000 2.554 44 S HA 0.265 4.734 4.470 -0.001 0.000 0.226 44 S C 1.610 176.185 174.600 -0.042 0.000 0.980 44 S CA 0.102 58.293 58.200 -0.016 0.000 0.939 44 S CB 1.087 64.292 63.200 0.008 0.000 0.832 44 S HN 0.262 nan 8.310 nan 0.000 0.486 45 A N 2.259 125.046 122.820 -0.055 0.000 1.917 45 A HA 0.092 4.411 4.320 -0.001 0.000 0.219 45 A C 2.273 179.753 177.584 -0.173 0.000 1.182 45 A CA 1.793 53.771 52.037 -0.099 0.000 0.633 45 A CB -1.715 17.223 19.000 -0.103 0.000 0.819 45 A HN 0.672 nan 8.150 nan 0.000 0.448 46 G N -0.364 108.335 108.800 -0.169 0.000 2.442 46 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.219 46 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.219 46 G C 1.551 176.347 174.900 -0.173 0.000 1.141 46 G CA 1.054 46.028 45.100 -0.211 0.000 0.763 46 G HN 0.453 nan 8.290 nan 0.000 0.554 47 L N -0.322 120.836 121.223 -0.107 0.000 2.083 47 L HA -0.037 4.303 4.340 -0.001 0.000 0.209 47 L C 2.942 179.773 176.870 -0.064 0.000 1.083 47 L CA 1.205 56.002 54.840 -0.071 0.000 0.752 47 L CB -0.265 41.767 42.059 -0.044 0.000 0.899 47 L HN 0.170 nan 8.230 nan 0.000 0.433 48 R N 0.475 120.930 120.500 -0.074 0.000 2.073 48 R HA -0.169 4.171 4.340 -0.001 0.000 0.234 48 R C 2.213 178.466 176.300 -0.078 0.000 1.134 48 R CA 1.605 57.676 56.100 -0.049 0.000 0.952 48 R CB -0.476 29.798 30.300 -0.043 0.000 0.850 48 R HN 0.361 nan 8.270 nan 0.000 0.433 49 Q N 0.143 119.815 119.800 -0.213 0.000 2.133 49 Q HA -0.218 4.122 4.340 -0.001 0.000 0.208 49 Q C 2.009 177.957 176.000 -0.087 0.000 0.991 49 Q CA 2.181 57.788 55.803 -0.328 0.000 0.867 49 Q CB -0.179 28.046 28.738 -0.854 0.000 0.911 49 Q HN 0.364 nan 8.270 nan 0.000 0.417 50 K N 0.643 120.998 120.400 -0.074 0.000 2.097 50 K HA -0.102 4.217 4.320 -0.001 0.000 0.205 50 K C 1.995 178.661 176.600 0.111 0.000 1.050 50 K CA 0.964 57.267 56.287 0.027 0.000 0.938 50 K CB 0.030 32.528 32.500 -0.004 0.000 0.718 50 K HN 0.105 nan 8.250 nan 0.000 0.442 51 K N 0.663 121.122 120.400 0.099 0.000 2.097 51 K HA -0.084 4.236 4.320 -0.001 0.000 0.205 51 K C 1.934 178.713 176.600 0.299 0.000 1.050 51 K CA 1.407 57.793 56.287 0.166 0.000 0.938 51 K CB 0.023 32.591 32.500 0.113 0.000 0.718 51 K HN 0.102 nan 8.250 nan 0.000 0.442 52 V N -1.390 118.663 119.914 0.232 0.000 3.623 52 V HA 0.066 4.185 4.120 -0.001 0.000 0.271 52 V C 0.287 176.454 176.094 0.121 0.000 1.248 52 V CA 0.239 62.686 62.300 0.245 0.000 1.156 52 V CB -0.037 31.909 31.823 0.206 0.000 0.870 52 V HN -0.045 nan 8.190 nan 0.000 0.453 53 T N 4.462 119.139 114.554 0.204 0.000 2.853 53 T HA 0.710 5.059 4.350 -0.001 0.000 0.317 53 T C -0.773 174.014 174.700 0.145 0.000 1.059 53 T CA -0.062 62.143 62.100 0.174 0.000 0.954 53 T CB 0.077 69.171 68.868 0.376 0.000 0.994 53 T HN 0.620 nan 8.240 nan 0.000 0.479 54 F N -0.158 119.890 119.950 0.162 0.000 2.741 54 F HA 0.683 5.209 4.527 -0.001 0.000 0.313 54 F C -1.026 174.896 175.800 0.203 0.000 1.153 54 F CA -1.894 56.175 58.000 0.115 0.000 0.931 54 F CB 0.695 39.756 39.000 0.103 0.000 1.335 54 F HN 0.190 nan 8.300 nan 0.000 0.460 55 D N 0.722 121.455 120.400 0.555 0.000 2.304 55 D HA 0.466 5.106 4.640 -0.001 0.000 0.250 55 D C -0.876 175.668 176.300 0.407 0.000 1.107 55 D CA 0.000 54.313 54.000 0.522 0.000 0.885 55 D CB 0.818 41.892 40.800 0.456 0.000 1.192 55 D HN 0.554 nan 8.370 nan 0.000 0.436 56 R N 2.644 123.313 120.500 0.281 0.000 2.338 56 R HA 0.586 4.926 4.340 -0.001 0.000 0.317 56 R C -0.962 175.354 176.300 0.026 0.000 0.968 56 R CA -0.630 55.580 56.100 0.184 0.000 0.849 56 R CB 0.979 31.364 30.300 0.142 0.000 1.128 56 R HN 0.351 nan 8.270 nan 0.000 0.448 57 L N 1.672 122.891 121.223 -0.008 0.000 2.342 57 L HA 0.551 4.890 4.340 -0.001 0.000 0.271 57 L C -0.403 176.410 176.870 -0.096 0.000 1.008 57 L CA -0.356 54.427 54.840 -0.094 0.000 0.818 57 L CB 1.892 43.919 42.059 -0.053 0.000 1.296 57 L HN 0.504 nan 8.230 nan 0.000 0.427 58 Q N 1.074 120.792 119.800 -0.136 0.000 2.289 58 Q HA 0.721 5.061 4.340 -0.001 0.000 0.270 58 Q C -1.930 174.002 176.000 -0.113 0.000 1.038 58 Q CA -0.518 55.217 55.803 -0.113 0.000 0.812 58 Q CB 2.672 31.330 28.738 -0.133 0.000 1.300 58 Q HN 0.434 nan 8.270 nan 0.000 0.427 59 V N 5.283 125.148 119.914 -0.081 0.000 2.357 59 V HA 0.370 4.490 4.120 -0.001 0.000 0.281 59 V C -0.634 175.443 176.094 -0.029 0.000 1.015 59 V CA -0.550 61.709 62.300 -0.068 0.000 0.827 59 V CB 1.221 33.005 31.823 -0.066 0.000 1.018 59 V HN 0.699 nan 8.190 nan 0.000 0.432 60 L N 5.570 126.730 121.223 -0.104 0.000 2.257 60 L HA 0.543 4.883 4.340 -0.001 0.000 0.290 60 L C 0.131 177.004 176.870 0.006 0.000 1.044 60 L CA -0.479 54.261 54.840 -0.168 0.000 0.810 60 L CB 1.121 42.918 42.059 -0.437 0.000 1.193 60 L HN 0.681 nan 8.230 nan 0.000 0.425 61 D N 0.627 121.114 120.400 0.145 0.000 2.564 61 D HA 0.121 4.760 4.640 -0.001 0.000 0.273 61 D C 0.394 176.767 176.300 0.120 0.000 1.192 61 D CA -0.665 53.405 54.000 0.116 0.000 1.080 61 D CB 0.743 41.619 40.800 0.127 0.000 1.160 61 D HN 0.273 nan 8.370 nan 0.000 0.607 62 D N -1.289 119.123 120.400 0.019 0.000 2.178 62 D HA -0.152 4.488 4.640 -0.001 0.000 0.201 62 D C 1.736 178.047 176.300 0.017 0.000 0.980 62 D CA 1.090 55.077 54.000 -0.022 0.000 0.842 62 D CB -0.131 40.597 40.800 -0.119 0.000 0.948 62 D HN 0.412 nan 8.370 nan 0.000 0.472 63 H N -0.364 118.772 119.070 0.110 0.000 2.387 63 H HA -0.143 4.412 4.556 -0.001 0.000 0.299 63 H C 1.997 177.363 175.328 0.063 0.000 1.090 63 H CA 0.869 56.973 56.048 0.093 0.000 1.332 63 H CB -0.588 29.255 29.762 0.135 0.000 1.386 63 H HN 0.324 nan 8.280 nan 0.000 0.516 64 Y N 1.930 122.268 120.300 0.062 0.000 2.114 64 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 64 Y C 2.657 178.508 175.900 -0.082 0.000 1.143 64 Y CA 1.595 59.604 58.100 -0.152 0.000 1.135 64 Y CB -0.091 38.191 38.460 -0.297 0.000 0.980 64 Y HN -0.063 nan 8.280 nan 0.000 0.499 65 R N 0.096 120.655 120.500 0.098 0.000 2.120 65 R HA -0.145 4.195 4.340 -0.001 0.000 0.234 65 R C 1.710 177.981 176.300 -0.049 0.000 1.123 65 R CA 1.395 57.499 56.100 0.006 0.000 0.975 65 R CB -0.279 30.070 30.300 0.080 0.000 0.866 65 R HN 0.445 nan 8.270 nan 0.000 0.446 66 D N 0.033 120.428 120.400 -0.009 0.000 2.117 66 D HA -0.103 4.537 4.640 -0.001 0.000 0.198 66 D C 1.963 178.245 176.300 -0.030 0.000 0.982 66 D CA 0.972 54.972 54.000 -0.001 0.000 0.828 66 D CB -0.106 40.724 40.800 0.049 0.000 0.967 66 D HN -0.004 nan 8.370 nan 0.000 0.464 67 V N 1.331 121.207 119.914 -0.063 0.000 2.358 67 V HA -0.199 3.921 4.120 -0.001 0.000 0.246 67 V C 2.465 178.491 176.094 -0.112 0.000 1.047 67 V CA 0.991 63.242 62.300 -0.080 0.000 1.035 67 V CB -0.440 31.310 31.823 -0.121 0.000 0.658 67 V HN 0.137 nan 8.190 nan 0.000 0.452 68 L N 0.620 121.707 121.223 -0.227 0.000 2.042 68 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 68 L C 2.356 179.155 176.870 -0.118 0.000 1.076 68 L CA 2.187 56.891 54.840 -0.227 0.000 0.749 68 L CB -0.877 40.971 42.059 -0.352 0.000 0.893 68 L HN 0.262 nan 8.230 nan 0.000 0.432 69 K N -0.572 119.777 120.400 -0.086 0.000 2.097 69 K HA -0.194 4.126 4.320 -0.001 0.000 0.206 69 K C 1.942 178.522 176.600 -0.033 0.000 1.049 69 K CA 1.738 57.996 56.287 -0.048 0.000 0.933 69 K CB -0.052 32.430 32.500 -0.030 0.000 0.717 69 K HN 0.527 nan 8.250 nan 0.000 0.442 70 E N 0.083 120.267 120.200 -0.025 0.000 2.107 70 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 70 E C 2.056 178.650 176.600 -0.010 0.000 0.982 70 E CA 1.270 57.666 56.400 -0.006 0.000 0.809 70 E CB -0.009 29.699 29.700 0.014 0.000 0.756 70 E HN 0.318 nan 8.360 nan 0.000 0.459 71 M N 0.622 120.211 119.600 -0.018 0.000 2.086 71 M HA -0.185 4.295 4.480 -0.001 0.000 0.261 71 M C 2.125 178.394 176.300 -0.051 0.000 1.067 71 M CA 1.519 56.799 55.300 -0.034 0.000 1.116 71 M CB -0.158 32.418 32.600 -0.041 0.000 1.348 71 M HN -0.058 nan 8.290 nan 0.000 0.407 72 K N 0.220 120.589 120.400 -0.051 0.000 2.097 72 K HA -0.085 4.235 4.320 -0.001 0.000 0.206 72 K C 2.080 178.662 176.600 -0.030 0.000 1.049 72 K CA 1.351 57.611 56.287 -0.044 0.000 0.933 72 K CB -0.254 32.221 32.500 -0.042 0.000 0.717 72 K HN 0.302 nan 8.250 nan 0.000 0.442 73 A N 1.854 124.659 122.820 -0.025 0.000 1.933 73 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 73 A C 1.873 179.445 177.584 -0.021 0.000 1.175 73 A CA 1.489 53.515 52.037 -0.018 0.000 0.628 73 A CB -0.221 18.772 19.000 -0.012 0.000 0.814 73 A HN 0.188 nan 8.150 nan 0.000 0.444 74 K N -0.471 119.912 120.400 -0.028 0.000 2.103 74 K HA 0.051 4.370 4.320 -0.001 0.000 0.204 74 K C 2.251 178.826 176.600 -0.042 0.000 1.052 74 K CA 0.920 57.185 56.287 -0.037 0.000 0.945 74 K CB -0.266 32.204 32.500 -0.050 0.000 0.722 74 K HN 0.416 nan 8.250 nan 0.000 0.443 75 A N 1.049 123.843 122.820 -0.043 0.000 2.019 75 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 75 A C 2.033 179.606 177.584 -0.018 0.000 1.164 75 A CA 1.545 53.562 52.037 -0.035 0.000 0.644 75 A CB -0.376 18.606 19.000 -0.029 0.000 0.805 75 A HN 0.143 nan 8.150 nan 0.000 0.449 76 S N -0.372 115.318 115.700 -0.015 0.000 2.507 76 S HA -0.090 4.379 4.470 -0.001 0.000 0.235 76 S C 1.916 176.512 174.600 -0.008 0.000 0.988 76 S CA 1.525 59.721 58.200 -0.008 0.000 0.944 76 S CB -0.414 62.782 63.200 -0.007 0.000 0.762 76 S HN 0.907 nan 8.310 nan 0.000 0.526 77 T N -1.013 113.532 114.554 -0.014 0.000 3.100 77 T HA 0.205 4.554 4.350 -0.001 0.000 0.253 77 T C 0.500 175.190 174.700 -0.016 0.000 1.118 77 T CA -0.106 61.986 62.100 -0.014 0.000 1.058 77 T CB -0.219 68.639 68.868 -0.017 0.000 0.953 77 T HN 0.015 nan 8.240 nan 0.000 0.515 78 V N 1.972 121.875 119.914 -0.018 0.000 2.546 78 V HA 0.404 4.523 4.120 -0.001 0.000 0.284 78 V C 0.088 176.177 176.094 -0.009 0.000 1.050 78 V CA -0.756 61.532 62.300 -0.020 0.000 0.981 78 V CB 1.241 33.046 31.823 -0.030 0.000 0.990 78 V HN 0.379 nan 8.190 nan 0.000 0.474 79 K N 3.490 123.885 120.400 -0.009 0.000 2.323 79 K HA 0.772 5.091 4.320 -0.001 0.000 0.259 79 K C -0.735 175.864 176.600 -0.002 0.000 0.947 79 K CA -0.428 55.858 56.287 -0.000 0.000 0.819 79 K CB 1.620 34.121 32.500 0.001 0.000 1.109 79 K HN 0.831 nan 8.250 nan 0.000 0.429 80 A N 3.875 126.698 122.820 0.005 0.000 2.374 80 A HA 0.535 4.855 4.320 -0.001 0.000 0.317 80 A C -1.270 176.326 177.584 0.020 0.000 1.094 80 A CA -0.923 51.117 52.037 0.006 0.000 0.765 80 A CB 1.028 20.027 19.000 -0.002 0.000 1.268 80 A HN 0.829 nan 8.150 nan 0.000 0.438 81 K N 1.808 122.223 120.400 0.024 0.000 2.166 81 K HA 0.738 5.057 4.320 -0.001 0.000 0.245 81 K C -1.198 175.422 176.600 0.035 0.000 0.967 81 K CA -0.660 55.644 56.287 0.027 0.000 0.863 81 K CB 1.385 33.898 32.500 0.021 0.000 1.107 81 K HN 0.535 nan 8.250 nan 0.000 0.436 82 L N 2.504 123.741 121.223 0.024 0.000 2.349 82 L HA 0.174 4.513 4.340 -0.001 0.000 0.275 82 L C -0.333 176.514 176.870 -0.039 0.000 1.115 82 L CA -0.978 53.864 54.840 0.005 0.000 0.820 82 L CB 0.756 42.812 42.059 -0.005 0.000 1.135 82 L HN 0.533 nan 8.230 nan 0.000 0.445 83 L N 3.029 124.215 121.223 -0.062 0.000 2.350 83 L HA 0.244 4.584 4.340 -0.001 0.000 0.275 83 L C 0.472 177.232 176.870 -0.183 0.000 1.099 83 L CA 0.368 55.155 54.840 -0.088 0.000 0.808 83 L CB 1.625 43.642 42.059 -0.070 0.000 1.149 83 L HN 0.701 nan 8.230 nan 0.000 0.442 84 S N 2.280 117.884 115.700 -0.159 0.000 2.603 84 S HA 0.220 4.690 4.470 -0.001 0.000 0.268 84 S C 1.319 175.787 174.600 -0.221 0.000 1.317 84 S CA -0.628 57.457 58.200 -0.191 0.000 1.012 84 S CB 1.011 64.139 63.200 -0.121 0.000 0.926 84 S HN 0.379 nan 8.310 nan 0.000 0.539 85 V N 1.509 121.267 119.914 -0.260 0.000 2.324 85 V HA -0.210 3.910 4.120 -0.001 0.000 0.250 85 V C 2.765 178.768 176.094 -0.152 0.000 1.060 85 V CA 2.457 64.605 62.300 -0.254 0.000 1.042 85 V CB -1.356 30.295 31.823 -0.286 0.000 0.650 85 V HN 1.066 nan 8.190 nan 0.000 0.450 86 E N 0.294 120.429 120.200 -0.109 0.000 2.077 86 E HA -0.264 4.085 4.350 -0.001 0.000 0.193 86 E C 2.155 178.699 176.600 -0.093 0.000 0.989 86 E CA 1.696 58.047 56.400 -0.081 0.000 0.800 86 E CB -0.128 29.537 29.700 -0.059 0.000 0.746 86 E HN 0.749 nan 8.360 nan 0.000 0.452 87 E N 0.313 120.448 120.200 -0.108 0.000 2.077 87 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 87 E C 2.104 178.607 176.600 -0.162 0.000 0.989 87 E CA 0.932 57.259 56.400 -0.122 0.000 0.800 87 E CB -0.175 29.455 29.700 -0.116 0.000 0.746 87 E HN 0.384 nan 8.360 nan 0.000 0.452 88 A N 0.956 123.676 122.820 -0.167 0.000 1.902 88 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 88 A C 2.429 179.933 177.584 -0.133 0.000 1.181 88 A CA 1.154 53.086 52.037 -0.174 0.000 0.623 88 A CB -0.877 18.032 19.000 -0.152 0.000 0.818 88 A HN 0.362 nan 8.150 nan 0.000 0.443 89 C N -0.436 118.802 119.300 -0.103 0.000 2.413 89 C HA -0.103 4.356 4.460 -0.001 0.000 0.276 89 C C 2.635 177.586 174.990 -0.065 0.000 1.248 89 C CA 1.401 60.378 59.018 -0.069 0.000 1.742 89 C CB -1.111 26.594 27.740 -0.059 0.000 2.017 89 C HN 0.627 nan 8.230 nan 0.000 0.481 90 K N 0.580 120.937 120.400 -0.071 0.000 2.280 90 K HA -0.028 4.292 4.320 -0.001 0.000 0.202 90 K C 1.460 178.046 176.600 -0.023 0.000 1.047 90 K CA 0.919 57.181 56.287 -0.042 0.000 0.942 90 K CB -0.176 32.295 32.500 -0.050 0.000 0.739 90 K HN 0.514 nan 8.250 nan 0.000 0.457 91 L N 0.883 122.048 121.223 -0.097 0.000 2.591 91 L HA 0.014 4.354 4.340 -0.001 0.000 0.228 91 L C 0.218 177.046 176.870 -0.071 0.000 1.133 91 L CA 0.162 54.925 54.840 -0.128 0.000 0.880 91 L CB -0.040 41.820 42.059 -0.331 0.000 1.033 91 L HN 0.025 nan 8.230 nan 0.000 0.450 92 T N 1.528 116.049 114.554 -0.055 0.000 2.794 92 T HA 0.213 4.563 4.350 -0.001 0.000 0.296 92 T C -2.323 172.303 174.700 -0.122 0.000 0.949 92 T CA -1.158 60.902 62.100 -0.066 0.000 1.101 92 T CB 1.119 69.956 68.868 -0.053 0.000 0.905 92 T HN -0.155 nan 8.240 nan 0.000 0.516 93 P HA 0.118 nan 4.420 nan 0.000 0.264 93 P C -1.863 175.235 177.300 -0.336 0.000 1.193 93 P CA -1.201 61.724 63.100 -0.292 0.000 0.763 93 P CB 0.263 31.889 31.700 -0.124 0.000 0.810 94 P HA -0.177 nan 4.420 nan 0.000 0.218 94 P C 0.117 177.208 177.300 -0.348 0.000 1.146 94 P CA 1.675 64.553 63.100 -0.371 0.000 0.820 94 P CB -0.109 31.389 31.700 -0.337 0.000 0.778 95 H N -2.464 116.489 119.070 -0.195 0.000 2.481 95 H HA 0.317 4.873 4.556 -0.001 0.000 0.273 95 H C 0.266 175.525 175.328 -0.114 0.000 1.145 95 H CA -0.350 55.623 56.048 -0.125 0.000 0.964 95 H CB -0.197 29.506 29.762 -0.100 0.000 1.722 95 H HN -0.063 nan 8.280 nan 0.000 0.573 96 S N 0.880 116.546 115.700 -0.057 0.000 2.585 96 S HA 0.494 4.964 4.470 -0.001 0.000 0.273 96 S C 0.724 175.288 174.600 -0.059 0.000 1.339 96 S CA -0.507 57.651 58.200 -0.070 0.000 1.028 96 S CB 0.350 63.506 63.200 -0.074 0.000 0.906 96 S HN 0.552 nan 8.310 nan 0.000 0.528 97 A N 4.265 127.041 122.820 -0.074 0.000 2.566 97 A HA 0.198 4.517 4.320 -0.001 0.000 0.245 97 A C 0.611 178.184 177.584 -0.018 0.000 1.056 97 A CA 0.058 52.078 52.037 -0.028 0.000 0.757 97 A CB -0.408 18.596 19.000 0.008 0.000 0.979 97 A HN 0.868 nan 8.150 nan 0.000 0.508 98 K N 2.590 122.966 120.400 -0.040 0.000 2.276 98 K HA 0.322 4.641 4.320 -0.001 0.000 0.259 98 K C 0.431 176.940 176.600 -0.151 0.000 1.001 98 K CA 0.072 56.299 56.287 -0.099 0.000 0.927 98 K CB 0.452 32.893 32.500 -0.098 0.000 0.969 98 K HN 0.455 nan 8.250 nan 0.000 0.490 99 S N 0.382 115.883 115.700 -0.331 0.000 2.600 99 S HA 0.058 4.527 4.470 -0.001 0.000 0.265 99 S C 0.214 174.589 174.600 -0.374 0.000 1.325 99 S CA -0.489 57.464 58.200 -0.411 0.000 1.002 99 S CB 0.450 63.057 63.200 -0.988 0.000 0.921 99 S HN 0.661 nan 8.310 nan 0.000 0.554 100 K N 1.391 121.513 120.400 -0.464 0.000 2.410 100 K HA 0.214 4.533 4.320 -0.001 0.000 0.200 100 K C -0.616 175.440 176.600 -0.907 0.000 1.023 100 K CA 0.236 56.139 56.287 -0.640 0.000 1.149 100 K CB 0.150 32.212 32.500 -0.730 0.000 0.859 100 K HN 0.467 nan 8.250 nan 0.000 0.514 101 F N 0.437 120.222 119.950 -0.275 0.000 2.850 101 F HA 0.305 4.832 4.527 -0.001 0.000 0.329 101 F C 0.910 176.650 175.800 -0.098 0.000 1.182 101 F CA -0.919 56.940 58.000 -0.236 0.000 1.270 101 F CB 1.071 39.778 39.000 -0.488 0.000 0.979 101 F HN 0.105 nan 8.300 nan 0.000 0.506 102 G N 0.926 109.723 108.800 -0.005 0.000 2.165 102 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.226 102 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.226 102 G C -0.498 174.525 174.900 0.206 0.000 1.035 102 G CA 0.112 45.263 45.100 0.085 0.000 0.744 102 G HN 0.684 nan 8.290 nan 0.000 0.501 103 Y N -3.129 117.165 120.300 -0.009 0.000 2.638 103 Y HA 0.644 5.193 4.550 -0.001 0.000 0.334 103 Y C 0.213 176.113 175.900 -0.000 0.000 1.182 103 Y CA -0.874 57.226 58.100 -0.000 0.000 1.102 103 Y CB 0.320 38.791 38.460 0.018 0.000 1.343 103 Y HN 0.802 nan 8.280 nan 0.000 0.463 104 G N 0.334 109.190 108.800 0.094 0.000 3.016 104 G HA2 0.570 4.529 3.960 -0.001 0.000 0.270 104 G HA3 0.570 4.529 3.960 -0.001 0.000 0.270 104 G C 0.371 175.311 174.900 0.066 0.000 1.352 104 G CA -0.778 44.320 45.100 -0.004 0.000 1.060 104 G HN 1.300 nan 8.290 nan 0.000 0.538 105 A N -0.472 122.339 122.820 -0.015 0.000 1.940 105 A HA -0.046 4.273 4.320 -0.001 0.000 0.219 105 A C 2.192 179.746 177.584 -0.051 0.000 1.176 105 A CA 2.367 54.386 52.037 -0.030 0.000 0.631 105 A CB -0.452 18.489 19.000 -0.098 0.000 0.814 105 A HN 0.526 nan 8.150 nan 0.000 0.446 106 K N 0.274 120.623 120.400 -0.085 0.000 2.063 106 K HA -0.150 4.170 4.320 -0.001 0.000 0.208 106 K C 1.436 178.016 176.600 -0.034 0.000 1.048 106 K CA 1.857 58.088 56.287 -0.094 0.000 0.928 106 K CB -0.222 32.211 32.500 -0.112 0.000 0.713 106 K HN 0.510 nan 8.250 nan 0.000 0.442 107 D N -0.427 119.986 120.400 0.022 0.000 2.178 107 D HA -0.120 4.519 4.640 -0.001 0.000 0.202 107 D C 1.859 178.174 176.300 0.025 0.000 0.974 107 D CA 0.992 55.016 54.000 0.040 0.000 0.841 107 D CB 0.013 40.879 40.800 0.110 0.000 0.953 107 D HN 0.031 nan 8.370 nan 0.000 0.478 108 V N 1.435 121.387 119.914 0.064 0.000 2.270 108 V HA -0.214 3.905 4.120 -0.001 0.000 0.245 108 V C 2.458 178.544 176.094 -0.014 0.000 1.043 108 V CA 1.501 63.824 62.300 0.038 0.000 1.014 108 V CB -0.374 31.502 31.823 0.089 0.000 0.645 108 V HN 0.109 nan 8.190 nan 0.000 0.447 109 R N 0.444 120.926 120.500 -0.031 0.000 2.152 109 R HA -0.097 4.243 4.340 -0.001 0.000 0.232 109 R C 1.703 177.980 176.300 -0.039 0.000 1.117 109 R CA 1.244 57.315 56.100 -0.048 0.000 0.981 109 R CB -0.319 29.934 30.300 -0.079 0.000 0.870 109 R HN 0.514 nan 8.270 nan 0.000 0.451 110 N N 0.628 119.307 118.700 -0.034 0.000 2.336 110 N HA 0.081 4.821 4.740 -0.001 0.000 0.189 110 N C 0.194 175.686 175.510 -0.031 0.000 1.113 110 N CA 0.267 53.299 53.050 -0.030 0.000 0.858 110 N CB 0.374 38.844 38.487 -0.028 0.000 0.970 110 N HN 0.120 nan 8.380 nan 0.000 0.471 111 L N 0.878 122.079 121.223 -0.035 0.000 3.717 111 L HA -0.209 4.131 4.340 -0.001 0.000 0.411 111 L C 0.113 176.956 176.870 -0.045 0.000 1.233 111 L CA -0.057 54.759 54.840 -0.040 0.000 0.917 111 L CB -2.623 39.416 42.059 -0.034 0.000 1.902 111 L HN 0.142 nan 8.230 nan 0.000 0.894 112 S N -0.938 114.731 115.700 -0.051 0.000 2.560 112 S HA 0.271 4.741 4.470 -0.001 0.000 0.284 112 S C 1.513 176.068 174.600 -0.075 0.000 1.327 112 S CA -0.055 58.113 58.200 -0.053 0.000 1.055 112 S CB 1.737 64.910 63.200 -0.045 0.000 0.868 112 S HN 0.470 nan 8.310 nan 0.000 0.506 113 S N 3.151 118.817 115.700 -0.057 0.000 2.387 113 S HA -0.241 4.229 4.470 -0.001 0.000 0.230 113 S C 1.693 176.248 174.600 -0.077 0.000 1.035 113 S CA 1.287 59.453 58.200 -0.056 0.000 1.014 113 S CB -0.647 62.529 63.200 -0.041 0.000 0.836 113 S HN 0.855 nan 8.310 nan 0.000 0.466 114 K N 1.685 122.034 120.400 -0.085 0.000 2.032 114 K HA -0.048 4.272 4.320 -0.001 0.000 0.209 114 K C 2.370 178.797 176.600 -0.289 0.000 1.048 114 K CA 1.240 57.465 56.287 -0.105 0.000 0.927 114 K CB -0.583 31.888 32.500 -0.047 0.000 0.712 114 K HN 0.455 nan 8.250 nan 0.000 0.441 115 A N 0.411 122.956 122.820 -0.458 0.000 1.855 115 A HA -0.090 4.230 4.320 -0.001 0.000 0.215 115 A C 2.223 179.562 177.584 -0.409 0.000 1.191 115 A CA 1.527 53.022 52.037 -0.904 0.000 0.613 115 A CB -0.632 18.010 19.000 -0.597 0.000 0.829 115 A HN 0.159 nan 8.150 nan 0.000 0.442 116 V N 1.212 121.018 119.914 -0.180 0.000 2.407 116 V HA -0.256 3.863 4.120 -0.001 0.000 0.248 116 V C 2.238 178.389 176.094 0.095 0.000 1.055 116 V CA 2.108 64.395 62.300 -0.021 0.000 1.049 116 V CB -1.027 30.806 31.823 0.018 0.000 0.662 116 V HN 0.536 nan 8.190 nan 0.000 0.455 117 N N -0.578 118.132 118.700 0.017 0.000 2.188 117 N HA -0.165 4.575 4.740 -0.001 0.000 0.184 117 N C 1.876 177.431 175.510 0.075 0.000 1.018 117 N CA 1.474 54.551 53.050 0.045 0.000 0.858 117 N CB -0.546 37.942 38.487 0.002 0.000 0.989 117 N HN 0.659 nan 8.380 nan 0.000 0.426 118 H N 0.770 119.802 119.070 -0.063 0.000 2.389 118 H HA 0.071 4.627 4.556 -0.001 0.000 0.299 118 H C 1.990 177.326 175.328 0.013 0.000 1.081 118 H CA 0.849 56.880 56.048 -0.029 0.000 1.345 118 H CB 0.090 29.863 29.762 0.019 0.000 1.393 118 H HN 0.119 nan 8.280 nan 0.000 0.520 119 I N 0.272 120.791 120.570 -0.085 0.000 2.226 119 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 119 I C 2.250 178.305 176.117 -0.104 0.000 1.100 119 I CA 1.381 62.613 61.300 -0.113 0.000 1.374 119 I CB -0.385 37.562 38.000 -0.088 0.000 1.057 119 I HN 0.294 nan 8.210 nan 0.000 0.413 120 H N 0.012 119.053 119.070 -0.049 0.000 2.423 120 H HA -0.128 4.427 4.556 -0.001 0.000 0.297 120 H C 2.515 177.860 175.328 0.028 0.000 1.075 120 H CA 1.758 57.813 56.048 0.012 0.000 1.342 120 H CB 0.019 29.772 29.762 -0.016 0.000 1.395 120 H HN 0.362 nan 8.280 nan 0.000 0.530 121 S N -0.510 115.219 115.700 0.049 0.000 2.406 121 S HA -0.093 4.377 4.470 -0.001 0.000 0.228 121 S C 2.220 176.766 174.600 -0.090 0.000 1.020 121 S CA 0.980 59.167 58.200 -0.022 0.000 0.965 121 S CB -0.579 62.585 63.200 -0.059 0.000 0.798 121 S HN 0.154 nan 8.310 nan 0.000 0.488 122 V N 0.865 120.669 119.914 -0.183 0.000 2.379 122 V HA -0.082 4.037 4.120 -0.001 0.000 0.245 122 V C 2.227 178.296 176.094 -0.041 0.000 1.044 122 V CA 1.650 63.847 62.300 -0.171 0.000 1.036 122 V CB -0.925 30.758 31.823 -0.233 0.000 0.664 122 V HN 0.725 nan 8.190 nan 0.000 0.453 123 W N 1.452 122.666 121.300 -0.144 0.000 2.358 123 W HA -0.225 4.435 4.660 -0.001 0.000 0.303 123 W C 2.457 178.935 176.519 -0.069 0.000 1.208 123 W CA 2.268 59.550 57.345 -0.106 0.000 1.274 123 W CB -0.124 29.255 29.460 -0.135 0.000 1.138 123 W HN 0.248 nan 8.180 nan 0.000 0.515 124 K N 0.628 121.062 120.400 0.056 0.000 2.057 124 K HA -0.273 4.047 4.320 -0.001 0.000 0.207 124 K C 1.768 178.301 176.600 -0.113 0.000 1.049 124 K CA 2.292 58.569 56.287 -0.017 0.000 0.931 124 K CB -0.612 31.919 32.500 0.051 0.000 0.714 124 K HN 0.018 nan 8.250 nan 0.000 0.440 125 D N 0.198 120.534 120.400 -0.106 0.000 2.144 125 D HA -0.142 4.497 4.640 -0.001 0.000 0.199 125 D C 1.955 178.157 176.300 -0.163 0.000 0.984 125 D CA 0.959 54.891 54.000 -0.113 0.000 0.834 125 D CB 0.059 40.801 40.800 -0.097 0.000 0.955 125 D HN 0.223 nan 8.370 nan 0.000 0.465 126 L N -0.051 121.030 121.223 -0.238 0.000 2.046 126 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 126 L C 2.449 179.126 176.870 -0.322 0.000 1.077 126 L CA 0.735 55.395 54.840 -0.300 0.000 0.747 126 L CB -0.370 41.430 42.059 -0.432 0.000 0.896 126 L HN 0.237 nan 8.230 nan 0.000 0.432 127 L N -0.844 120.150 121.223 -0.382 0.000 2.217 127 L HA -0.154 4.186 4.340 -0.001 0.000 0.211 127 L C 2.171 178.942 176.870 -0.166 0.000 1.107 127 L CA 1.107 55.770 54.840 -0.294 0.000 0.783 127 L CB -0.314 41.572 42.059 -0.288 0.000 0.919 127 L HN 0.308 nan 8.230 nan 0.000 0.442 128 E N -1.225 118.893 120.200 -0.137 0.000 2.276 128 E HA -0.032 4.317 4.350 -0.001 0.000 0.193 128 E C 0.257 176.809 176.600 -0.079 0.000 0.983 128 E CA 0.089 56.436 56.400 -0.088 0.000 0.861 128 E CB 0.472 30.133 29.700 -0.066 0.000 0.817 128 E HN 0.160 nan 8.360 nan 0.000 0.485 129 D N 0.538 120.882 120.400 -0.094 0.000 2.481 129 D HA 0.057 4.696 4.640 -0.001 0.000 0.246 129 D C -0.270 175.977 176.300 -0.088 0.000 1.109 129 D CA -0.209 53.745 54.000 -0.076 0.000 0.845 129 D CB 1.439 42.199 40.800 -0.067 0.000 1.160 129 D HN -0.021 nan 8.370 nan 0.000 0.534 130 T N 0.516 115.028 114.554 -0.071 0.000 3.266 130 T HA 0.285 4.635 4.350 -0.001 0.000 0.278 130 T C 0.773 175.443 174.700 -0.049 0.000 1.010 130 T CA -0.222 61.836 62.100 -0.070 0.000 0.909 130 T CB 0.159 68.989 68.868 -0.063 0.000 1.122 130 T HN 0.133 nan 8.240 nan 0.000 0.536 131 V N -0.142 119.747 119.914 -0.041 0.000 3.305 131 V HA 0.202 4.322 4.120 -0.001 0.000 0.247 131 V C 0.857 176.942 176.094 -0.016 0.000 1.426 131 V CA 0.183 62.468 62.300 -0.025 0.000 1.162 131 V CB 0.466 32.276 31.823 -0.020 0.000 0.961 131 V HN 0.497 nan 8.190 nan 0.000 0.449 132 T N 4.242 118.784 114.554 -0.020 0.000 2.784 132 T HA 0.190 4.540 4.350 -0.001 0.000 0.291 132 T C -2.468 172.231 174.700 -0.002 0.000 0.942 132 T CA -0.485 61.611 62.100 -0.006 0.000 1.161 132 T CB 0.729 69.591 68.868 -0.010 0.000 0.885 132 T HN 0.149 nan 8.240 nan 0.000 0.534 133 P HA 0.139 nan 4.420 nan 0.000 0.263 133 P C -0.118 177.188 177.300 0.008 0.000 1.195 133 P CA -0.056 63.062 63.100 0.031 0.000 0.762 133 P CB 0.271 32.038 31.700 0.111 0.000 0.799 134 I N 2.636 123.193 120.570 -0.021 0.000 2.474 134 I HA 0.106 4.275 4.170 -0.001 0.000 0.287 134 I C 1.034 177.141 176.117 -0.017 0.000 1.048 134 I CA -0.298 60.993 61.300 -0.015 0.000 1.383 134 I CB 0.576 38.556 38.000 -0.033 0.000 1.412 134 I HN 0.327 nan 8.210 nan 0.000 0.531 135 D N 4.341 124.745 120.400 0.007 0.000 2.399 135 D HA 0.212 4.851 4.640 -0.001 0.000 0.241 135 D C -0.385 175.886 176.300 -0.048 0.000 1.133 135 D CA 0.236 54.228 54.000 -0.013 0.000 0.890 135 D CB 0.821 41.629 40.800 0.012 0.000 1.201 135 D HN 0.632 nan 8.370 nan 0.000 0.432 136 T N -0.898 113.600 114.554 -0.093 0.000 2.903 136 T HA 0.560 4.909 4.350 -0.001 0.000 0.299 136 T C -0.510 174.047 174.700 -0.237 0.000 1.093 136 T CA -0.990 61.014 62.100 -0.160 0.000 1.002 136 T CB 1.487 70.286 68.868 -0.115 0.000 1.127 136 T HN 0.205 nan 8.240 nan 0.000 0.488 137 T N 2.663 116.926 114.554 -0.486 0.000 2.795 137 T HA 0.570 4.920 4.350 -0.001 0.000 0.282 137 T C -0.302 174.159 174.700 -0.399 0.000 0.980 137 T CA -0.572 61.216 62.100 -0.520 0.000 1.012 137 T CB 0.591 68.945 68.868 -0.856 0.000 0.936 137 T HN 0.721 nan 8.240 nan 0.000 0.457 138 I N 4.530 125.024 120.570 -0.126 0.000 2.378 138 I HA 0.523 4.693 4.170 -0.001 0.000 0.291 138 I C -0.915 175.242 176.117 0.066 0.000 0.992 138 I CA -0.765 60.548 61.300 0.022 0.000 1.154 138 I CB 0.628 38.683 38.000 0.092 0.000 1.315 138 I HN 0.422 nan 8.210 nan 0.000 0.448 139 M N 6.293 125.978 119.600 0.141 0.000 2.593 139 M HA 0.518 4.998 4.480 -0.001 0.000 0.290 139 M C -0.686 175.678 176.300 0.108 0.000 1.244 139 M CA -0.643 54.739 55.300 0.137 0.000 0.857 139 M CB 1.851 34.581 32.600 0.218 0.000 1.738 139 M HN 0.576 nan 8.290 nan 0.000 0.461 140 A N 1.993 124.856 122.820 0.072 0.000 2.274 140 A HA 0.535 4.855 4.320 -0.001 0.000 0.309 140 A C -0.139 177.481 177.584 0.059 0.000 1.226 140 A CA -0.557 51.513 52.037 0.055 0.000 0.853 140 A CB 0.335 19.354 19.000 0.033 0.000 1.146 140 A HN 0.747 nan 8.150 nan 0.000 0.518 141 K N 1.914 122.350 120.400 0.061 0.000 2.237 141 K HA 0.133 4.452 4.320 -0.001 0.000 0.270 141 K C -0.569 176.041 176.600 0.016 0.000 1.015 141 K CA -0.022 56.288 56.287 0.037 0.000 0.949 141 K CB 0.740 33.266 32.500 0.043 0.000 0.976 141 K HN 0.759 nan 8.250 nan 0.000 0.472 142 N N 2.559 121.238 118.700 -0.034 0.000 2.678 142 N HA 0.075 4.814 4.740 -0.001 0.000 0.231 142 N C -1.185 174.197 175.510 -0.213 0.000 1.038 142 N CA -0.240 52.754 53.050 -0.094 0.000 0.932 142 N CB 0.800 39.231 38.487 -0.093 0.000 1.176 142 N HN 0.375 nan 8.380 nan 0.000 0.511 143 E N 0.954 121.024 120.200 -0.216 0.000 2.195 143 E HA 0.391 4.740 4.350 -0.001 0.000 0.271 143 E C -0.641 175.535 176.600 -0.706 0.000 0.923 143 E CA -0.924 55.214 56.400 -0.438 0.000 0.790 143 E CB 2.503 32.011 29.700 -0.320 0.000 1.155 143 E HN 0.078 nan 8.360 nan 0.000 0.402 144 V N 3.427 122.773 119.914 -0.945 0.000 2.481 144 V HA 0.435 4.554 4.120 -0.001 0.000 0.286 144 V C -0.635 174.811 176.094 -1.080 0.000 1.042 144 V CA -0.150 61.618 62.300 -0.888 0.000 0.928 144 V CB 0.075 31.497 31.823 -0.668 0.000 0.986 144 V HN 0.518 nan 8.190 nan 0.000 0.462 145 F N 2.002 121.609 119.950 -0.571 0.000 2.692 145 F HA 0.605 5.132 4.527 -0.001 0.000 0.320 145 F C -0.060 175.565 175.800 -0.291 0.000 1.123 145 F CA -0.794 56.957 58.000 -0.415 0.000 0.961 145 F CB 1.373 40.130 39.000 -0.406 0.000 1.383 145 F HN 0.527 nan 8.300 nan 0.000 0.483 146 C N 3.077 122.495 119.300 0.197 0.000 2.329 146 C HA 0.794 5.253 4.460 -0.001 0.000 0.329 146 C C 0.101 175.304 174.990 0.357 0.000 1.275 146 C CA -0.712 58.450 59.018 0.240 0.000 1.726 146 C CB -0.255 27.576 27.740 0.152 0.000 2.291 146 C HN 0.752 nan 8.230 nan 0.000 0.514 147 V N 4.961 125.125 119.914 0.416 0.000 3.209 147 V HA 0.321 4.441 4.120 -0.001 0.000 0.305 147 V C 0.138 176.319 176.094 0.146 0.000 1.127 147 V CA 0.508 62.972 62.300 0.273 0.000 1.235 147 V CB -0.106 31.793 31.823 0.126 0.000 0.987 147 V HN 1.380 nan 8.190 nan 0.000 0.499 155 K N 2.986 123.412 120.400 0.043 0.000 2.174 155 K HA 0.458 4.778 4.320 -0.001 0.000 0.275 155 K C -2.141 174.475 176.600 0.027 0.000 1.015 155 K CA -1.491 54.780 56.287 -0.028 0.000 0.933 155 K CB 1.119 33.513 32.500 -0.176 0.000 1.025 155 K HN 0.121 nan 8.250 nan 0.000 0.463 156 P HA -0.030 nan 4.420 nan 0.000 0.269 156 P C -0.513 176.818 177.300 0.051 0.000 1.215 156 P CA -0.290 62.825 63.100 0.026 0.000 0.780 156 P CB 0.684 32.384 31.700 -0.001 0.000 0.898 157 A N 3.719 126.581 122.820 0.071 0.000 2.498 157 A HA 0.098 4.418 4.320 -0.001 0.000 0.239 157 A C 0.705 178.331 177.584 0.069 0.000 1.068 157 A CA -0.069 52.023 52.037 0.090 0.000 0.766 157 A CB -0.236 18.808 19.000 0.073 0.000 1.003 157 A HN 0.479 nan 8.150 nan 0.000 0.497 158 R N 0.819 121.376 120.500 0.096 0.000 2.531 158 R HA 0.472 4.811 4.340 -0.001 0.000 0.273 158 R C -0.593 175.758 176.300 0.084 0.000 1.070 158 R CA -0.404 55.751 56.100 0.092 0.000 1.112 158 R CB 0.565 30.935 30.300 0.118 0.000 1.049 158 R HN 0.669 nan 8.270 nan 0.000 0.508 159 L N 2.438 123.714 121.223 0.089 0.000 2.343 159 L HA 0.500 4.840 4.340 -0.001 0.000 0.275 159 L C -0.297 176.658 176.870 0.142 0.000 1.056 159 L CA -0.949 53.950 54.840 0.098 0.000 0.804 159 L CB 1.278 43.381 42.059 0.073 0.000 1.203 159 L HN 0.458 nan 8.230 nan 0.000 0.440 160 I N 2.264 122.936 120.570 0.170 0.000 2.498 160 I HA 0.480 4.650 4.170 -0.001 0.000 0.290 160 I C -0.968 175.335 176.117 0.310 0.000 1.032 160 I CA -0.347 61.090 61.300 0.228 0.000 1.073 160 I CB 1.953 40.076 38.000 0.205 0.000 1.251 160 I HN 0.167 nan 8.210 nan 0.000 0.426 161 V N 8.745 128.847 119.914 0.313 0.000 2.483 161 V HA 0.628 4.747 4.120 -0.001 0.000 0.297 161 V C -0.799 175.494 176.094 0.331 0.000 1.027 161 V CA -0.480 61.966 62.300 0.244 0.000 0.855 161 V CB 1.093 33.022 31.823 0.176 0.000 0.995 161 V HN 0.604 nan 8.190 nan 0.000 0.424 162 F N 4.670 124.665 119.950 0.075 0.000 2.631 162 F HA 0.957 5.483 4.527 -0.001 0.000 0.308 162 F C -3.093 172.746 175.800 0.065 0.000 1.097 162 F CA -2.810 55.235 58.000 0.074 0.000 0.952 162 F CB 1.654 40.693 39.000 0.065 0.000 1.307 162 F HN 0.295 nan 8.300 nan 0.000 0.450 163 P HA 0.197 nan 4.420 nan 0.000 0.281 163 P C -1.103 176.300 177.300 0.172 0.000 1.281 163 P CA -0.171 62.986 63.100 0.097 0.000 0.811 163 P CB 1.385 33.154 31.700 0.114 0.000 1.154 164 D N -0.600 119.885 120.400 0.142 0.000 2.400 164 D HA -0.064 4.576 4.640 -0.001 0.000 0.238 164 D C 1.406 177.832 176.300 0.211 0.000 1.157 164 D CA -0.293 53.816 54.000 0.182 0.000 0.889 164 D CB 0.308 41.264 40.800 0.261 0.000 1.199 164 D HN 0.119 nan 8.370 nan 0.000 0.436 165 L N 3.460 124.785 121.223 0.169 0.000 2.051 165 L HA -0.061 4.278 4.340 -0.001 0.000 0.214 165 L C 2.058 179.064 176.870 0.227 0.000 1.076 165 L CA 2.664 57.594 54.840 0.150 0.000 0.758 165 L CB -1.118 40.966 42.059 0.041 0.000 0.890 165 L HN 0.670 nan 8.230 nan 0.000 0.433 166 G N -1.447 107.556 108.800 0.339 0.000 2.432 166 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.219 166 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.219 166 G C 1.508 176.523 174.900 0.193 0.000 1.135 166 G CA 1.003 46.330 45.100 0.377 0.000 0.767 166 G HN 0.374 nan 8.290 nan 0.000 0.550 167 V N 0.469 120.492 119.914 0.183 0.000 2.379 167 V HA -0.086 4.034 4.120 -0.001 0.000 0.245 167 V C 2.884 179.061 176.094 0.139 0.000 1.044 167 V CA 1.549 63.925 62.300 0.128 0.000 1.036 167 V CB -0.379 31.511 31.823 0.111 0.000 0.664 167 V HN 0.311 nan 8.190 nan 0.000 0.453 168 R N -0.316 120.276 120.500 0.154 0.000 2.105 168 R HA -0.127 4.213 4.340 -0.001 0.000 0.239 168 R C 2.201 178.570 176.300 0.114 0.000 1.135 168 R CA 1.385 57.570 56.100 0.142 0.000 0.967 168 R CB -0.563 29.817 30.300 0.134 0.000 0.861 168 R HN 0.403 nan 8.270 nan 0.000 0.442 169 V N 0.272 120.249 119.914 0.105 0.000 2.358 169 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 169 V C 2.454 178.584 176.094 0.061 0.000 1.047 169 V CA 1.488 63.823 62.300 0.057 0.000 1.035 169 V CB -0.374 31.482 31.823 0.055 0.000 0.658 169 V HN 0.451 nan 8.190 nan 0.000 0.452 170 C N -0.050 119.324 119.300 0.123 0.000 2.425 170 C HA -0.136 4.323 4.460 -0.001 0.000 0.277 170 C C 2.644 177.799 174.990 0.274 0.000 1.280 170 C CA 0.884 60.049 59.018 0.246 0.000 1.744 170 C CB -1.003 26.926 27.740 0.315 0.000 1.989 170 C HN 0.626 nan 8.230 nan 0.000 0.491 171 E N 0.838 121.157 120.200 0.199 0.000 2.077 171 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 171 E C 2.143 178.859 176.600 0.194 0.000 0.989 171 E CA 1.125 57.654 56.400 0.214 0.000 0.800 171 E CB -0.150 29.686 29.700 0.226 0.000 0.746 171 E HN 0.638 nan 8.360 nan 0.000 0.452 172 K N 0.527 121.011 120.400 0.140 0.000 2.009 172 K HA -0.141 4.178 4.320 -0.001 0.000 0.210 172 K C 2.252 178.909 176.600 0.095 0.000 1.049 172 K CA 1.580 57.935 56.287 0.113 0.000 0.929 172 K CB -0.183 32.309 32.500 -0.012 0.000 0.714 172 K HN 0.107 nan 8.250 nan 0.000 0.440 173 M N 0.316 119.923 119.600 0.013 0.000 2.082 173 M HA -0.231 4.248 4.480 -0.001 0.000 0.258 173 M C 2.422 178.746 176.300 0.040 0.000 1.069 173 M CA 1.970 57.215 55.300 -0.093 0.000 1.102 173 M CB -0.430 31.927 32.600 -0.405 0.000 1.336 173 M HN 0.267 nan 8.290 nan 0.000 0.404 174 A N -0.767 122.188 122.820 0.225 0.000 1.975 174 A HA 0.106 4.426 4.320 -0.001 0.000 0.215 174 A C 1.806 179.480 177.584 0.151 0.000 1.170 174 A CA 0.937 53.146 52.037 0.285 0.000 0.656 174 A CB -0.110 19.129 19.000 0.399 0.000 0.821 174 A HN 0.497 nan 8.150 nan 0.000 0.449 175 L N -2.897 118.404 121.223 0.130 0.000 3.086 175 L HA 0.198 4.537 4.340 -0.001 0.000 0.274 175 L C 1.797 178.694 176.870 0.046 0.000 1.184 175 L CA -0.005 54.853 54.840 0.030 0.000 1.002 175 L CB 0.043 42.090 42.059 -0.021 0.000 1.383 175 L HN 0.430 nan 8.230 nan 0.000 0.582 176 Y N 1.576 121.886 120.300 0.016 0.000 2.128 176 Y HA -0.328 4.222 4.550 -0.001 0.000 0.284 176 Y C 2.204 178.131 175.900 0.044 0.000 1.154 176 Y CA 2.292 60.417 58.100 0.043 0.000 1.149 176 Y CB 0.084 38.559 38.460 0.026 0.000 0.976 176 Y HN 0.228 nan 8.280 nan 0.000 0.505 177 D N -0.827 119.599 120.400 0.044 0.000 2.178 177 D HA -0.151 4.489 4.640 -0.001 0.000 0.202 177 D C 2.168 178.398 176.300 -0.117 0.000 0.974 177 D CA 1.252 55.221 54.000 -0.050 0.000 0.841 177 D CB -0.151 40.675 40.800 0.042 0.000 0.953 177 D HN 0.264 nan 8.370 nan 0.000 0.478 178 V N 0.398 120.249 119.914 -0.106 0.000 2.237 178 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 178 V C 2.673 178.649 176.094 -0.197 0.000 1.046 178 V CA 1.793 64.006 62.300 -0.145 0.000 1.007 178 V CB -0.653 31.050 31.823 -0.199 0.000 0.638 178 V HN 0.341 nan 8.190 nan 0.000 0.445 179 V N -2.474 117.302 119.914 -0.229 0.000 3.078 179 V HA -0.090 4.030 4.120 -0.001 0.000 0.265 179 V C 1.987 177.931 176.094 -0.251 0.000 1.122 179 V CA 2.085 64.249 62.300 -0.227 0.000 1.141 179 V CB -0.350 31.364 31.823 -0.182 0.000 0.735 179 V HN 0.446 nan 8.190 nan 0.000 0.498 180 S N 0.912 116.455 115.700 -0.263 0.000 2.458 180 S HA -0.007 4.463 4.470 -0.001 0.000 0.223 180 S C 1.876 176.378 174.600 -0.163 0.000 1.019 180 S CA 1.337 59.399 58.200 -0.230 0.000 0.937 180 S CB 0.093 63.087 63.200 -0.342 0.000 0.788 180 S HN 0.951 nan 8.310 nan 0.000 0.511 181 T N -1.132 113.322 114.554 -0.167 0.000 2.964 181 T HA 0.304 4.653 4.350 -0.001 0.000 0.250 181 T C 1.608 176.205 174.700 -0.172 0.000 0.982 181 T CA -0.196 61.821 62.100 -0.138 0.000 0.959 181 T CB -0.432 68.383 68.868 -0.089 0.000 1.141 181 T HN 0.210 nan 8.240 nan 0.000 0.494 182 L N 1.877 122.992 121.223 -0.179 0.000 2.017 182 L HA 0.132 4.471 4.340 -0.001 0.000 0.208 182 L C -0.893 175.812 176.870 -0.275 0.000 1.073 182 L CA 1.368 56.107 54.840 -0.169 0.000 0.745 182 L CB -0.799 41.206 42.059 -0.091 0.000 0.894 182 L HN 0.131 nan 8.230 nan 0.000 0.432 183 P HA -0.247 nan 4.420 nan 0.000 0.214 183 P C 1.364 178.230 177.300 -0.723 0.000 1.163 183 P CA 1.379 64.035 63.100 -0.740 0.000 0.889 183 P CB -0.176 30.711 31.700 -1.356 0.000 0.790 184 Q N -0.005 119.418 119.800 -0.628 0.000 2.124 184 Q HA -0.117 4.223 4.340 -0.001 0.000 0.202 184 Q C 1.943 177.814 176.000 -0.215 0.000 0.977 184 Q CA 1.561 57.183 55.803 -0.302 0.000 0.850 184 Q CB -0.746 27.907 28.738 -0.143 0.000 0.901 184 Q HN 0.090 nan 8.270 nan 0.000 0.429 185 V N -0.056 119.735 119.914 -0.205 0.000 2.379 185 V HA -0.191 3.928 4.120 -0.001 0.000 0.245 185 V C 2.528 178.528 176.094 -0.156 0.000 1.044 185 V CA 1.370 63.584 62.300 -0.143 0.000 1.036 185 V CB -0.470 31.285 31.823 -0.113 0.000 0.664 185 V HN 0.116 nan 8.190 nan 0.000 0.453 186 V N -0.475 119.310 119.914 -0.214 0.000 2.323 186 V HA -0.200 3.920 4.120 -0.001 0.000 0.244 186 V C 2.102 178.007 176.094 -0.314 0.000 1.041 186 V CA 2.161 64.323 62.300 -0.230 0.000 1.025 186 V CB -0.465 31.205 31.823 -0.255 0.000 0.656 186 V HN 0.467 nan 8.190 nan 0.000 0.451 187 M N -0.944 118.401 119.600 -0.425 0.000 2.441 187 M HA 0.353 4.832 4.480 -0.001 0.000 0.244 187 M C 1.412 177.603 176.300 -0.183 0.000 1.122 187 M CA 0.733 55.723 55.300 -0.517 0.000 1.041 187 M CB 0.202 32.384 32.600 -0.697 0.000 1.438 187 M HN 0.472 nan 8.290 nan 0.000 0.484 188 G N 1.621 110.336 108.800 -0.142 0.000 2.582 188 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.288 188 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.288 188 G C 0.751 175.601 174.900 -0.085 0.000 1.247 188 G CA 0.686 45.742 45.100 -0.073 0.000 0.972 188 G HN 0.550 nan 8.290 nan 0.000 0.557 189 S N -0.682 114.984 115.700 -0.056 0.000 2.537 189 S HA 0.100 4.570 4.470 -0.001 0.000 0.240 189 S C 2.106 176.510 174.600 -0.327 0.000 0.981 189 S CA 1.881 59.986 58.200 -0.158 0.000 0.948 189 S CB -0.018 63.161 63.200 -0.034 0.000 0.759 189 S HN 0.980 nan 8.310 nan 0.000 0.531 190 S N 0.165 115.812 115.700 -0.089 0.000 2.527 190 S HA 0.162 4.632 4.470 -0.001 0.000 0.222 190 S C 0.151 174.740 174.600 -0.018 0.000 0.985 190 S CA -0.231 57.984 58.200 0.026 0.000 0.921 190 S CB -0.340 63.026 63.200 0.276 0.000 0.772 190 S HN 0.719 nan 8.310 nan 0.000 0.529 191 Y N 2.648 122.790 120.300 -0.264 0.000 2.531 191 Y HA 0.462 5.011 4.550 -0.001 0.000 0.347 191 Y C 1.233 176.878 175.900 -0.425 0.000 1.024 191 Y CA -1.337 56.575 58.100 -0.313 0.000 1.306 191 Y CB 0.184 38.463 38.460 -0.303 0.000 1.149 191 Y HN 0.052 nan 8.280 nan 0.000 0.527 192 G N 4.550 112.897 108.800 -0.756 0.000 2.421 192 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.217 192 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.217 192 G C 1.044 175.416 174.900 -0.880 0.000 1.143 192 G CA 0.176 44.857 45.100 -0.698 0.000 0.784 192 G HN 0.642 nan 8.290 nan 0.000 0.541 193 F N 1.471 120.723 119.950 -1.163 0.000 2.641 193 F HA 0.018 4.545 4.527 -0.001 0.000 0.298 193 F C 2.789 178.363 175.800 -0.376 0.000 1.146 193 F CA 0.856 58.287 58.000 -0.949 0.000 1.464 193 F CB -0.174 38.246 39.000 -0.966 0.000 1.101 193 F HN 0.403 nan 8.300 nan 0.000 0.585 194 Q N -1.065 118.501 119.800 -0.389 0.000 2.425 194 Q HA -0.020 4.319 4.340 -0.001 0.000 0.204 194 Q C -0.590 175.326 176.000 -0.139 0.000 0.933 194 Q CA 0.543 56.233 55.803 -0.188 0.000 0.939 194 Q CB -0.214 28.319 28.738 -0.342 0.000 1.044 194 Q HN 0.279 nan 8.270 nan 0.000 0.513 195 Y N 1.589 121.909 120.300 0.032 0.000 2.387 195 Y HA 0.376 4.926 4.550 -0.001 0.000 0.330 195 Y C 0.554 176.369 175.900 -0.141 0.000 1.133 195 Y CA -1.397 56.680 58.100 -0.038 0.000 1.152 195 Y CB 1.537 39.937 38.460 -0.099 0.000 1.215 195 Y HN 0.086 nan 8.280 nan 0.000 0.466 196 S N 1.492 117.018 115.700 -0.290 0.000 2.669 196 S HA 0.353 4.822 4.470 -0.001 0.000 0.270 196 S C -2.120 172.199 174.600 -0.468 0.000 1.225 196 S CA -1.270 56.272 58.200 -1.096 0.000 0.991 196 S CB 1.568 64.177 63.200 -0.984 0.000 0.987 196 S HN 0.395 nan 8.310 nan 0.000 0.552 197 P HA -0.047 nan 4.420 nan 0.000 0.216 197 P C 1.649 178.909 177.300 -0.066 0.000 1.154 197 P CA 1.833 64.848 63.100 -0.142 0.000 0.865 197 P CB -0.461 31.201 31.700 -0.062 0.000 0.789 198 G N -0.488 108.262 108.800 -0.084 0.000 2.402 198 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.216 198 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.216 198 G C 1.471 176.331 174.900 -0.067 0.000 1.162 198 G CA 0.484 45.568 45.100 -0.026 0.000 0.777 198 G HN 0.318 nan 8.290 nan 0.000 0.539 199 Q N -0.390 119.349 119.800 -0.102 0.000 2.167 199 Q HA 0.018 4.357 4.340 -0.001 0.000 0.202 199 Q C 2.557 178.395 176.000 -0.270 0.000 0.970 199 Q CA 0.725 56.461 55.803 -0.112 0.000 0.855 199 Q CB -0.117 28.634 28.738 0.022 0.000 0.911 199 Q HN 0.436 nan 8.270 nan 0.000 0.438 200 R N 0.624 121.011 120.500 -0.189 0.000 2.073 200 R HA -0.136 4.203 4.340 -0.001 0.000 0.234 200 R C 2.134 178.347 176.300 -0.145 0.000 1.134 200 R CA 1.325 57.307 56.100 -0.197 0.000 0.952 200 R CB -0.173 30.109 30.300 -0.030 0.000 0.850 200 R HN 0.095 nan 8.270 nan 0.000 0.433 201 V N 1.389 121.242 119.914 -0.101 0.000 2.343 201 V HA -0.243 3.877 4.120 -0.001 0.000 0.247 201 V C 2.358 178.365 176.094 -0.145 0.000 1.051 201 V CA 2.230 64.465 62.300 -0.107 0.000 1.036 201 V CB -0.578 31.214 31.823 -0.051 0.000 0.654 201 V HN 0.503 nan 8.190 nan 0.000 0.451 202 E N -0.329 119.799 120.200 -0.120 0.000 2.077 202 E HA -0.275 4.074 4.350 -0.001 0.000 0.193 202 E C 2.109 178.630 176.600 -0.131 0.000 0.989 202 E CA 1.671 58.005 56.400 -0.110 0.000 0.800 202 E CB -0.214 29.443 29.700 -0.072 0.000 0.746 202 E HN 0.570 nan 8.360 nan 0.000 0.452 203 F N 1.085 120.834 119.950 -0.335 0.000 2.186 203 F HA -0.082 4.445 4.527 -0.001 0.000 0.299 203 F C 1.793 177.469 175.800 -0.208 0.000 1.090 203 F CA 1.095 58.896 58.000 -0.332 0.000 1.307 203 F CB -0.097 38.520 39.000 -0.637 0.000 1.019 203 F HN 0.004 nan 8.300 nan 0.000 0.489 204 L N -0.839 120.201 121.223 -0.305 0.000 2.027 204 L HA -0.184 4.155 4.340 -0.001 0.000 0.206 204 L C 2.384 179.080 176.870 -0.291 0.000 1.074 204 L CA 0.962 55.610 54.840 -0.320 0.000 0.745 204 L CB -0.794 41.145 42.059 -0.199 0.000 0.898 204 L HN -0.022 nan 8.230 nan 0.000 0.433 205 V N 0.060 119.796 119.914 -0.297 0.000 2.358 205 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 205 V C 2.200 178.187 176.094 -0.179 0.000 1.047 205 V CA 1.686 63.803 62.300 -0.306 0.000 1.035 205 V CB -0.652 30.894 31.823 -0.461 0.000 0.658 205 V HN 0.475 nan 8.190 nan 0.000 0.452 206 N N 0.146 118.729 118.700 -0.196 0.000 2.166 206 N HA -0.129 4.611 4.740 -0.001 0.000 0.186 206 N C 1.913 177.321 175.510 -0.170 0.000 1.019 206 N CA 1.916 54.878 53.050 -0.147 0.000 0.856 206 N CB -0.611 37.805 38.487 -0.119 0.000 0.993 206 N HN 0.455 nan 8.380 nan 0.000 0.426 207 T N 0.460 114.827 114.554 -0.311 0.000 2.746 207 T HA -0.141 4.209 4.350 -0.001 0.000 0.267 207 T C 1.478 176.095 174.700 -0.138 0.000 1.039 207 T CA 0.590 62.506 62.100 -0.307 0.000 1.142 207 T CB -0.254 68.288 68.868 -0.543 0.000 0.866 207 T HN 0.437 nan 8.240 nan 0.000 0.444 208 W N 2.364 123.503 121.300 -0.269 0.000 2.364 208 W HA -0.079 4.580 4.660 -0.001 0.000 0.281 208 W C 1.647 178.081 176.519 -0.142 0.000 1.219 208 W CA 1.083 58.312 57.345 -0.193 0.000 1.220 208 W CB -0.099 29.238 29.460 -0.205 0.000 1.127 208 W HN 0.302 nan 8.180 nan 0.000 0.556 209 K N -0.357 120.053 120.400 0.018 0.000 2.186 209 K HA -0.042 4.278 4.320 -0.001 0.000 0.202 209 K C 2.100 178.648 176.600 -0.086 0.000 1.052 209 K CA 1.071 57.342 56.287 -0.026 0.000 0.965 209 K CB -0.359 32.140 32.500 -0.002 0.000 0.746 209 K HN -0.185 nan 8.250 nan 0.000 0.457 210 S N 0.936 116.576 115.700 -0.100 0.000 2.493 210 S HA -0.033 4.436 4.470 -0.001 0.000 0.243 210 S C 0.297 174.827 174.600 -0.117 0.000 0.991 210 S CA 1.138 59.281 58.200 -0.095 0.000 0.957 210 S CB 0.036 63.180 63.200 -0.094 0.000 0.756 210 S HN 0.130 nan 8.310 nan 0.000 0.521 211 K N 1.582 121.876 120.400 -0.177 0.000 2.235 211 K HA 0.324 4.644 4.320 -0.001 0.000 0.266 211 K C 0.524 177.012 176.600 -0.186 0.000 0.980 211 K CA -0.372 55.796 56.287 -0.198 0.000 0.849 211 K CB 1.182 33.508 32.500 -0.290 0.000 1.098 211 K HN 0.041 nan 8.250 nan 0.000 0.445 212 K N 1.118 121.440 120.400 -0.130 0.000 2.020 212 K HA -0.110 4.210 4.320 -0.001 0.000 0.212 212 K C 0.237 176.764 176.600 -0.121 0.000 1.050 212 K CA 1.327 57.553 56.287 -0.100 0.000 0.929 212 K CB 0.083 32.539 32.500 -0.072 0.000 0.714 212 K HN 0.416 nan 8.250 nan 0.000 0.443 213 N N 1.294 119.909 118.700 -0.142 0.000 2.851 213 N HA 0.192 4.931 4.740 -0.001 0.000 0.248 213 N C -2.815 172.556 175.510 -0.233 0.000 1.221 213 N CA -1.336 51.629 53.050 -0.143 0.000 0.847 213 N CB 1.199 39.635 38.487 -0.085 0.000 1.150 213 N HN 0.058 nan 8.380 nan 0.000 0.507 214 P HA 0.004 nan 4.420 nan 0.000 0.265 214 P C -0.190 176.707 177.300 -0.671 0.000 1.187 214 P CA 0.061 62.647 63.100 -0.856 0.000 0.766 214 P CB 0.978 31.590 31.700 -1.812 0.000 0.820 215 M N 2.461 121.716 119.600 -0.575 0.000 2.284 215 M HA 0.552 5.032 4.480 -0.001 0.000 0.281 215 M C -1.239 174.985 176.300 -0.127 0.000 1.083 215 M CA -0.149 54.996 55.300 -0.258 0.000 0.965 215 M CB 2.206 34.763 32.600 -0.072 0.000 1.717 215 M HN 0.608 nan 8.290 nan 0.000 0.479 216 G N 3.532 112.379 108.800 0.079 0.000 2.725 216 G HA2 0.908 4.868 3.960 -0.001 0.000 0.288 216 G HA3 0.908 4.868 3.960 -0.001 0.000 0.288 216 G C -1.893 173.148 174.900 0.236 0.000 1.399 216 G CA -0.617 44.584 45.100 0.168 0.000 0.859 216 G HN 0.865 nan 8.290 nan 0.000 0.479 217 F N -1.332 118.595 119.950 -0.039 0.000 2.770 217 F HA 0.772 5.299 4.527 -0.000 0.000 0.313 217 F C -0.451 175.345 175.800 -0.007 0.000 1.154 217 F CA -1.338 56.636 58.000 -0.043 0.000 0.923 217 F CB 1.121 40.078 39.000 -0.071 0.000 1.301 217 F HN 0.733 nan 8.300 nan 0.000 0.449 218 S N 0.552 116.330 115.700 0.131 0.000 2.537 218 S HA 0.720 5.189 4.470 -0.001 0.000 0.301 218 S C -1.751 173.017 174.600 0.280 0.000 1.092 218 S CA -0.615 57.626 58.200 0.069 0.000 1.048 218 S CB 1.896 65.125 63.200 0.048 0.000 1.053 218 S HN 0.936 nan 8.310 nan 0.000 0.501 219 Y N 1.446 121.826 120.300 0.133 0.000 2.331 219 Y HA 0.494 5.044 4.550 -0.001 0.000 0.334 219 Y C -1.166 174.848 175.900 0.191 0.000 0.960 219 Y CA -0.760 57.492 58.100 0.254 0.000 1.130 219 Y CB 1.518 40.222 38.460 0.408 0.000 1.164 219 Y HN 0.908 nan 8.280 nan 0.000 0.458 220 D N 4.184 124.429 120.400 -0.259 0.000 2.381 220 D HA 0.288 4.928 4.640 -0.001 0.000 0.235 220 D C -0.884 175.273 176.300 -0.239 0.000 1.068 220 D CA -0.166 53.756 54.000 -0.130 0.000 0.832 220 D CB 1.243 42.002 40.800 -0.069 0.000 1.101 220 D HN 0.450 nan 8.370 nan 0.000 0.515 221 T N 3.486 118.068 114.554 0.047 0.000 2.897 221 T HA 0.169 4.519 4.350 -0.001 0.000 0.294 221 T C 0.261 175.040 174.700 0.131 0.000 1.004 221 T CA -0.565 61.629 62.100 0.156 0.000 1.106 221 T CB 0.851 70.008 68.868 0.482 0.000 0.949 221 T HN 0.283 nan 8.240 nan 0.000 0.520 222 R N 2.259 122.803 120.500 0.074 0.000 2.288 222 R HA 0.097 4.436 4.340 -0.001 0.000 0.330 222 R C 0.111 176.511 176.300 0.167 0.000 1.069 222 R CA -0.110 56.032 56.100 0.070 0.000 0.941 222 R CB -0.863 29.427 30.300 -0.016 0.000 0.998 222 R HN 0.962 nan 8.270 nan 0.000 0.452 223 C N 6.653 126.080 119.300 0.213 0.000 3.514 223 C HA -0.198 4.262 4.460 -0.001 0.000 0.286 223 C C 1.368 176.564 174.990 0.342 0.000 1.302 223 C CA 0.146 59.338 59.018 0.289 0.000 2.239 223 C CB -2.434 25.523 27.740 0.361 0.000 1.429 223 C HN 1.033 nan 8.230 nan 0.000 0.565 224 F N 1.963 122.026 119.950 0.188 0.000 2.063 224 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 224 F C 1.823 177.733 175.800 0.185 0.000 1.105 224 F CA 2.657 60.769 58.000 0.186 0.000 1.215 224 F CB -0.137 38.960 39.000 0.162 0.000 0.972 224 F HN 0.592 nan 8.300 nan 0.000 0.483 225 D N -0.419 120.246 120.400 0.442 0.000 2.133 225 D HA -0.179 4.461 4.640 -0.001 0.000 0.195 225 D C 2.405 178.799 176.300 0.157 0.000 0.997 225 D CA 1.799 55.982 54.000 0.305 0.000 0.840 225 D CB -0.543 40.423 40.800 0.276 0.000 0.947 225 D HN 0.265 nan 8.370 nan 0.000 0.452 226 S N -0.752 115.053 115.700 0.174 0.000 2.489 226 S HA -0.080 4.390 4.470 -0.001 0.000 0.228 226 S C 1.959 176.581 174.600 0.036 0.000 0.995 226 S CA 1.203 59.419 58.200 0.027 0.000 0.934 226 S CB -0.121 63.062 63.200 -0.029 0.000 0.771 226 S HN 0.518 nan 8.310 nan 0.000 0.522 227 T N -0.628 114.009 114.554 0.138 0.000 3.081 227 T HA 0.156 4.506 4.350 -0.001 0.000 0.255 227 T C 0.556 175.214 174.700 -0.069 0.000 1.113 227 T CA -0.041 62.120 62.100 0.102 0.000 1.082 227 T CB -0.343 68.518 68.868 -0.011 0.000 0.939 227 T HN 0.030 nan 8.240 nan 0.000 0.506 228 V N 4.156 124.006 119.914 -0.108 0.000 2.446 228 V HA 0.324 4.443 4.120 -0.001 0.000 0.276 228 V C 1.126 177.194 176.094 -0.043 0.000 1.030 228 V CA -0.256 61.995 62.300 -0.082 0.000 1.033 228 V CB -0.002 31.820 31.823 -0.003 0.000 0.993 228 V HN 0.719 nan 8.190 nan 0.000 0.477 229 T N 0.823 115.358 114.554 -0.032 0.000 2.897 229 T HA 0.305 4.655 4.350 -0.001 0.000 0.278 229 T C 1.071 175.768 174.700 -0.005 0.000 0.981 229 T CA -0.298 61.789 62.100 -0.021 0.000 0.973 229 T CB 1.466 70.317 68.868 -0.028 0.000 1.092 229 T HN 0.676 nan 8.240 nan 0.000 0.543 230 E N 0.470 120.673 120.200 0.005 0.000 2.118 230 E HA -0.285 4.065 4.350 -0.001 0.000 0.195 230 E C 1.926 178.537 176.600 0.019 0.000 0.992 230 E CA 1.713 58.125 56.400 0.020 0.000 0.804 230 E CB -0.252 29.465 29.700 0.029 0.000 0.741 230 E HN 0.786 nan 8.360 nan 0.000 0.458 231 N N 0.586 119.290 118.700 0.005 0.000 2.069 231 N HA -0.204 4.536 4.740 -0.001 0.000 0.191 231 N C 1.477 177.000 175.510 0.021 0.000 1.031 231 N CA 2.109 55.162 53.050 0.004 0.000 0.852 231 N CB -0.110 38.361 38.487 -0.027 0.000 1.018 231 N HN 0.129 nan 8.380 nan 0.000 0.423 232 D N 0.163 120.575 120.400 0.021 0.000 2.117 232 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 232 D C 1.988 178.302 176.300 0.024 0.000 0.987 232 D CA 1.045 55.069 54.000 0.041 0.000 0.829 232 D CB -0.275 40.546 40.800 0.035 0.000 0.961 232 D HN 0.471 nan 8.370 nan 0.000 0.460 233 I N 0.594 121.181 120.570 0.028 0.000 2.315 233 I HA -0.197 3.972 4.170 -0.001 0.000 0.248 233 I C 2.469 178.597 176.117 0.019 0.000 1.117 233 I CA 0.901 62.222 61.300 0.036 0.000 1.404 233 I CB -0.075 37.971 38.000 0.075 0.000 1.071 233 I HN -0.105 nan 8.210 nan 0.000 0.419 234 R N -0.005 120.507 120.500 0.019 0.000 2.090 234 R HA -0.061 4.279 4.340 -0.001 0.000 0.228 234 R C 2.310 178.593 176.300 -0.028 0.000 1.110 234 R CA 0.906 57.012 56.100 0.009 0.000 0.973 234 R CB -0.331 29.980 30.300 0.017 0.000 0.869 234 R HN 0.190 nan 8.270 nan 0.000 0.440 235 V N 1.388 121.288 119.914 -0.023 0.000 2.515 235 V HA -0.218 3.901 4.120 -0.001 0.000 0.250 235 V C 1.870 177.877 176.094 -0.145 0.000 1.058 235 V CA 1.745 64.018 62.300 -0.045 0.000 1.064 235 V CB -0.336 31.498 31.823 0.018 0.000 0.675 235 V HN 0.333 nan 8.190 nan 0.000 0.461 236 E N -0.437 119.647 120.200 -0.193 0.000 2.110 236 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 236 E C 2.335 178.474 176.600 -0.769 0.000 0.988 236 E CA 1.199 57.331 56.400 -0.447 0.000 0.804 236 E CB -0.096 29.388 29.700 -0.360 0.000 0.745 236 E HN 0.582 nan 8.360 nan 0.000 0.458 237 E N 0.491 120.466 120.200 -0.374 0.000 2.106 237 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 237 E C 2.115 178.645 176.600 -0.116 0.000 0.984 237 E CA 1.293 57.587 56.400 -0.177 0.000 0.806 237 E CB 0.087 29.817 29.700 0.050 0.000 0.750 237 E HN 0.221 nan 8.360 nan 0.000 0.458 238 S N 0.521 116.152 115.700 -0.114 0.000 2.382 238 S HA -0.143 4.326 4.470 -0.001 0.000 0.228 238 S C 2.092 176.645 174.600 -0.077 0.000 1.027 238 S CA 0.968 59.131 58.200 -0.063 0.000 0.991 238 S CB -0.565 62.605 63.200 -0.050 0.000 0.823 238 S HN 0.272 nan 8.310 nan 0.000 0.469 239 I N 0.088 120.559 120.570 -0.164 0.000 2.252 239 I HA -0.127 4.042 4.170 -0.001 0.000 0.245 239 I C 2.342 178.445 176.117 -0.022 0.000 1.102 239 I CA 1.268 62.490 61.300 -0.130 0.000 1.385 239 I CB -0.516 37.366 38.000 -0.197 0.000 1.064 239 I HN 0.213 nan 8.210 nan 0.000 0.414 240 Y N 1.075 121.369 120.300 -0.011 0.000 2.181 240 Y HA -0.221 4.328 4.550 -0.001 0.000 0.288 240 Y C 2.684 178.586 175.900 0.004 0.000 1.146 240 Y CA 0.701 58.798 58.100 -0.004 0.000 1.164 240 Y CB -1.022 37.449 38.460 0.019 0.000 0.982 240 Y HN 0.237 nan 8.280 nan 0.000 0.515 241 Q N -1.188 118.703 119.800 0.151 0.000 2.364 241 Q HA -0.128 4.212 4.340 -0.001 0.000 0.207 241 Q C 2.353 178.386 176.000 0.055 0.000 0.970 241 Q CA 0.948 56.806 55.803 0.091 0.000 0.888 241 Q CB -0.858 27.916 28.738 0.061 0.000 0.951 241 Q HN 0.509 nan 8.270 nan 0.000 0.469 242 C N 0.111 119.436 119.300 0.041 0.000 2.432 242 C HA -0.035 4.425 4.460 -0.001 0.000 0.282 242 C C 1.602 176.606 174.990 0.024 0.000 1.388 242 C CA -0.728 58.302 59.018 0.020 0.000 1.777 242 C CB -0.732 27.009 27.740 0.003 0.000 1.882 242 C HN 0.398 nan 8.230 nan 0.000 0.520 243 C N 1.837 121.161 119.300 0.039 0.000 2.700 243 C HA 0.113 4.572 4.460 -0.001 0.000 0.397 243 C C 0.624 175.630 174.990 0.027 0.000 1.301 243 C CA -0.183 58.852 59.018 0.029 0.000 2.219 243 C CB -0.198 27.563 27.740 0.036 0.000 2.699 243 C HN 0.501 nan 8.230 nan 0.000 0.669 244 D N 1.827 122.238 120.400 0.018 0.000 2.374 244 D HA 0.436 5.076 4.640 -0.001 0.000 0.240 244 D C -0.564 175.751 176.300 0.024 0.000 1.229 244 D CA 0.329 54.340 54.000 0.018 0.000 0.895 244 D CB -0.045 40.762 40.800 0.012 0.000 1.046 244 D HN 0.381 nan 8.370 nan 0.000 0.498 245 L N 1.762 123.005 121.223 0.032 0.000 2.309 245 L HA 0.685 5.025 4.340 -0.001 0.000 0.261 245 L C 0.347 177.244 176.870 0.044 0.000 1.021 245 L CA -1.448 53.417 54.840 0.041 0.000 0.823 245 L CB 1.693 43.784 42.059 0.053 0.000 1.366 245 L HN 0.280 nan 8.230 nan 0.000 0.423 246 A N 0.916 123.768 122.820 0.054 0.000 2.388 246 A HA 0.431 4.751 4.320 -0.001 0.000 0.257 246 A C -1.878 175.744 177.584 0.064 0.000 1.095 246 A CA -1.108 50.963 52.037 0.057 0.000 0.791 246 A CB 0.093 19.133 19.000 0.067 0.000 1.029 246 A HN 0.609 nan 8.150 nan 0.000 0.489 247 P HA -0.214 nan 4.420 nan 0.000 0.217 247 P C 1.236 178.569 177.300 0.054 0.000 1.148 247 P CA 1.777 64.904 63.100 0.045 0.000 0.834 247 P CB 0.303 32.024 31.700 0.035 0.000 0.783 248 E N -0.669 119.583 120.200 0.088 0.000 2.152 248 E HA -0.119 4.230 4.350 -0.001 0.000 0.192 248 E C 1.883 178.575 176.600 0.153 0.000 0.983 248 E CA 0.939 57.416 56.400 0.128 0.000 0.818 248 E CB -0.393 29.436 29.700 0.216 0.000 0.758 248 E HN 0.097 nan 8.360 nan 0.000 0.467 249 A N 1.059 123.979 122.820 0.166 0.000 1.929 249 A HA -0.078 4.241 4.320 -0.001 0.000 0.216 249 A C 2.097 179.737 177.584 0.092 0.000 1.176 249 A CA 0.889 53.033 52.037 0.178 0.000 0.628 249 A CB -0.278 18.813 19.000 0.152 0.000 0.816 249 A HN 0.138 nan 8.150 nan 0.000 0.444 250 R N -0.903 119.637 120.500 0.066 0.000 2.081 250 R HA -0.181 4.158 4.340 -0.001 0.000 0.235 250 R C 2.467 178.775 176.300 0.014 0.000 1.131 250 R CA 1.711 57.839 56.100 0.047 0.000 0.960 250 R CB -0.261 30.063 30.300 0.040 0.000 0.856 250 R HN 0.639 nan 8.270 nan 0.000 0.436 251 Q N 0.706 120.495 119.800 -0.019 0.000 2.079 251 Q HA -0.083 4.256 4.340 -0.001 0.000 0.200 251 Q C 1.953 177.873 176.000 -0.135 0.000 0.974 251 Q CA 1.955 57.715 55.803 -0.072 0.000 0.840 251 Q CB -0.204 28.478 28.738 -0.094 0.000 0.898 251 Q HN 0.329 nan 8.270 nan 0.000 0.430 252 A N 0.206 122.907 122.820 -0.197 0.000 1.902 252 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 252 A C 2.131 179.638 177.584 -0.128 0.000 1.181 252 A CA 1.493 53.343 52.037 -0.311 0.000 0.623 252 A CB -0.734 17.967 19.000 -0.498 0.000 0.818 252 A HN 0.496 nan 8.150 nan 0.000 0.443 253 I N -0.569 119.994 120.570 -0.011 0.000 2.252 253 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 253 I C 2.548 178.709 176.117 0.074 0.000 1.102 253 I CA 1.826 63.176 61.300 0.083 0.000 1.385 253 I CB -0.202 37.880 38.000 0.136 0.000 1.064 253 I HN 0.418 nan 8.210 nan 0.000 0.414 254 K N 0.458 120.874 120.400 0.027 0.000 2.057 254 K HA -0.190 4.130 4.320 -0.001 0.000 0.206 254 K C 2.332 178.913 176.600 -0.032 0.000 1.050 254 K CA 1.739 58.035 56.287 0.015 0.000 0.935 254 K CB -0.082 32.417 32.500 -0.002 0.000 0.715 254 K HN 0.081 nan 8.250 nan 0.000 0.439 255 S N 0.668 116.316 115.700 -0.086 0.000 2.355 255 S HA -0.056 4.413 4.470 -0.001 0.000 0.222 255 S C 1.927 176.429 174.600 -0.163 0.000 1.031 255 S CA 0.982 59.107 58.200 -0.125 0.000 0.993 255 S CB -0.231 62.863 63.200 -0.176 0.000 0.859 255 S HN 0.358 nan 8.310 nan 0.000 0.453 256 L N 0.717 121.814 121.223 -0.211 0.000 2.083 256 L HA -0.108 4.232 4.340 -0.001 0.000 0.209 256 L C 2.713 179.256 176.870 -0.545 0.000 1.083 256 L CA 1.497 56.085 54.840 -0.419 0.000 0.752 256 L CB -0.914 40.872 42.059 -0.456 0.000 0.899 256 L HN 0.352 nan 8.230 nan 0.000 0.433 257 T N -1.037 113.407 114.554 -0.184 0.000 2.701 257 T HA -0.152 4.198 4.350 -0.001 0.000 0.263 257 T C 1.782 176.483 174.700 0.002 0.000 1.040 257 T CA 1.136 63.272 62.100 0.060 0.000 1.147 257 T CB -0.099 68.881 68.868 0.186 0.000 0.865 257 T HN 0.293 nan 8.240 nan 0.000 0.426 258 E N 1.156 121.341 120.200 -0.024 0.000 2.077 258 E HA -0.066 4.284 4.350 -0.001 0.000 0.193 258 E C 2.344 178.924 176.600 -0.034 0.000 0.989 258 E CA 1.021 57.411 56.400 -0.017 0.000 0.800 258 E CB -0.136 29.551 29.700 -0.022 0.000 0.746 258 E HN 0.469 nan 8.360 nan 0.000 0.452 259 R N -0.534 119.916 120.500 -0.082 0.000 2.223 259 R HA 0.110 4.449 4.340 -0.001 0.000 0.198 259 R C 1.871 178.111 176.300 -0.100 0.000 0.984 259 R CA 0.273 56.326 56.100 -0.078 0.000 1.018 259 R CB 0.282 30.526 30.300 -0.092 0.000 0.945 259 R HN 0.045 nan 8.270 nan 0.000 0.479 260 L N -2.208 118.912 121.223 -0.172 0.000 2.664 260 L HA 0.194 4.534 4.340 -0.001 0.000 0.198 260 L C 1.252 178.106 176.870 -0.026 0.000 1.057 260 L CA 0.622 55.364 54.840 -0.163 0.000 0.871 260 L CB -0.138 41.750 42.059 -0.284 0.000 1.364 260 L HN -0.147 nan 8.230 nan 0.000 0.483 261 Y N 0.458 120.776 120.300 0.030 0.000 2.145 261 Y HA -0.079 4.470 4.550 -0.001 0.000 0.286 261 Y C 2.561 178.471 175.900 0.017 0.000 1.145 261 Y CA 1.528 59.654 58.100 0.042 0.000 1.148 261 Y CB -0.956 37.553 38.460 0.081 0.000 0.981 261 Y HN 0.115 nan 8.280 nan 0.000 0.507 262 I N -0.943 119.723 120.570 0.159 0.000 2.286 262 I HA -0.101 4.069 4.170 -0.001 0.000 0.248 262 I C 1.218 177.353 176.117 0.030 0.000 1.115 262 I CA 1.470 62.821 61.300 0.085 0.000 1.392 262 I CB -0.378 37.662 38.000 0.067 0.000 1.065 262 I HN 0.317 nan 8.210 nan 0.000 0.418 263 G N -1.196 107.601 108.800 -0.006 0.000 2.313 263 G HA2 0.500 4.459 3.960 -0.001 0.000 0.296 263 G HA3 0.500 4.459 3.960 -0.001 0.000 0.296 263 G C -1.099 173.651 174.900 -0.249 0.000 1.356 263 G CA -0.104 44.922 45.100 -0.124 0.000 0.833 263 G HN 0.384 nan 8.290 nan 0.000 0.552 264 G N -0.796 107.580 108.800 -0.706 0.000 2.325 264 G HA2 0.717 4.677 3.960 -0.001 0.000 0.297 264 G HA3 0.717 4.677 3.960 -0.001 0.000 0.297 264 G C -3.462 170.804 174.900 -1.057 0.000 1.448 264 G CA -0.025 44.617 45.100 -0.764 0.000 0.838 264 G HN 0.715 nan 8.290 nan 0.000 0.579 265 P HA 0.446 nan 4.420 nan 0.000 0.274 265 P C -0.554 176.669 177.300 -0.129 0.000 1.231 265 P CA -0.195 62.806 63.100 -0.164 0.000 0.790 265 P CB 1.284 33.029 31.700 0.073 0.000 0.951 266 L N 1.961 123.157 121.223 -0.045 0.000 2.313 266 L HA 0.455 4.795 4.340 -0.001 0.000 0.283 266 L C 0.392 177.277 176.870 0.024 0.000 1.013 266 L CA -0.271 54.567 54.840 -0.004 0.000 0.816 266 L CB 1.668 43.769 42.059 0.070 0.000 1.236 266 L HN 0.267 nan 8.230 nan 0.000 0.419 267 T N 1.510 116.054 114.554 -0.017 0.000 2.812 267 T HA 0.308 4.657 4.350 -0.001 0.000 0.282 267 T C -0.150 174.535 174.700 -0.026 0.000 0.990 267 T CA -0.827 61.264 62.100 -0.015 0.000 0.960 267 T CB 1.366 70.210 68.868 -0.040 0.000 0.948 267 T HN 0.652 nan 8.240 nan 0.000 0.438 268 N N 1.029 119.730 118.700 0.003 0.000 2.347 268 N HA 0.083 4.822 4.740 -0.001 0.000 0.253 268 N C 1.450 176.951 175.510 -0.014 0.000 1.274 268 N CA -0.224 52.827 53.050 0.002 0.000 0.941 268 N CB 0.189 38.686 38.487 0.017 0.000 1.200 268 N HN 0.446 nan 8.380 nan 0.000 0.514 269 S N -1.111 114.589 115.700 -0.001 0.000 2.465 269 S HA -0.136 4.334 4.470 -0.001 0.000 0.241 269 S C 1.017 175.612 174.600 -0.008 0.000 1.000 269 S CA 0.765 58.965 58.200 -0.001 0.000 0.964 269 S CB -0.443 62.770 63.200 0.021 0.000 0.763 269 S HN 0.638 nan 8.310 nan 0.000 0.512 270 K N 0.469 120.866 120.400 -0.005 0.000 2.393 270 K HA 0.271 4.590 4.320 -0.001 0.000 0.193 270 K C 1.246 177.839 176.600 -0.012 0.000 1.026 270 K CA 0.401 56.684 56.287 -0.006 0.000 1.064 270 K CB 0.027 32.528 32.500 0.001 0.000 0.833 270 K HN 0.545 nan 8.250 nan 0.000 0.521 271 G N 1.710 110.500 108.800 -0.017 0.000 2.157 271 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.239 271 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.239 271 G C -0.289 174.609 174.900 -0.004 0.000 0.982 271 G CA -0.258 44.830 45.100 -0.019 0.000 0.650 271 G HN 0.317 nan 8.290 nan 0.000 0.527 272 Q N 0.133 119.937 119.800 0.006 0.000 2.235 272 Q HA 0.334 4.674 4.340 -0.001 0.000 0.250 272 Q C 0.282 176.303 176.000 0.035 0.000 0.909 272 Q CA -0.564 55.252 55.803 0.021 0.000 0.910 272 Q CB 1.117 29.870 28.738 0.025 0.000 1.223 272 Q HN 0.393 nan 8.270 nan 0.000 0.432 273 N N 1.835 120.562 118.700 0.046 0.000 2.416 273 N HA 0.004 4.743 4.740 -0.001 0.000 0.265 273 N C -0.107 175.462 175.510 0.099 0.000 1.195 273 N CA -0.426 52.664 53.050 0.065 0.000 0.943 273 N CB 0.472 38.998 38.487 0.065 0.000 1.115 273 N HN 0.611 nan 8.380 nan 0.000 0.481 274 C N 3.049 122.428 119.300 0.131 0.000 2.563 274 C HA 0.351 4.811 4.460 -0.001 0.000 0.268 274 C C 1.281 176.460 174.990 0.316 0.000 1.365 274 C CA 0.481 59.633 59.018 0.224 0.000 1.754 274 C CB -1.289 26.607 27.740 0.260 0.000 1.932 274 C HN 0.970 nan 8.230 nan 0.000 0.536 275 G N -1.492 107.417 108.800 0.181 0.000 2.332 275 G HA2 0.267 4.226 3.960 -0.001 0.000 0.265 275 G HA3 0.267 4.226 3.960 -0.001 0.000 0.265 275 G C -2.079 172.860 174.900 0.066 0.000 1.329 275 G CA -0.485 44.670 45.100 0.093 0.000 0.949 275 G HN 0.012 nan 8.290 nan 0.000 0.476 276 Y N 0.683 120.874 120.300 -0.181 0.000 2.477 276 Y HA 0.781 5.330 4.550 -0.001 0.000 0.347 276 Y C 0.143 175.926 175.900 -0.194 0.000 0.981 276 Y CA -0.878 57.136 58.100 -0.143 0.000 1.033 276 Y CB 2.035 40.425 38.460 -0.118 0.000 1.245 276 Y HN 0.693 nan 8.280 nan 0.000 0.455 277 R N 4.529 124.746 120.500 -0.471 0.000 2.393 277 R HA 0.531 4.871 4.340 -0.001 0.000 0.310 277 R C -0.662 175.426 176.300 -0.352 0.000 0.968 277 R CA -0.532 55.309 56.100 -0.431 0.000 0.867 277 R CB 0.883 31.002 30.300 -0.302 0.000 1.124 277 R HN 0.915 nan 8.270 nan 0.000 0.450 278 R N 3.145 123.445 120.500 -0.333 0.000 2.659 278 R HA 0.203 4.542 4.340 -0.001 0.000 0.418 278 R C -0.471 175.709 176.300 -0.199 0.000 1.076 278 R CA -0.262 55.744 56.100 -0.156 0.000 1.093 278 R CB 0.478 30.741 30.300 -0.062 0.000 1.400 278 R HN 0.786 nan 8.270 nan 0.000 0.583 279 C N -1.784 117.342 119.300 -0.291 0.000 3.301 279 C HA 0.619 5.078 4.460 -0.001 0.000 0.367 279 C C -0.204 174.728 174.990 -0.096 0.000 1.980 279 C CA -1.464 57.432 59.018 -0.203 0.000 1.349 279 C CB 1.111 28.671 27.740 -0.298 0.000 2.412 279 C HN 0.304 nan 8.230 nan 0.000 0.451 280 R N 1.216 121.710 120.500 -0.010 0.000 2.484 280 R HA 0.491 4.831 4.340 -0.001 0.000 0.293 280 R C -0.017 176.343 176.300 0.100 0.000 1.023 280 R CA 0.883 57.028 56.100 0.074 0.000 1.037 280 R CB -0.119 30.265 30.300 0.140 0.000 0.951 280 R HN 1.143 nan 8.270 nan 0.000 0.418 281 A N 3.570 126.462 122.820 0.120 0.000 2.320 281 A HA 0.258 4.578 4.320 -0.001 0.000 0.287 281 A C 0.842 178.526 177.584 0.167 0.000 1.181 281 A CA -0.039 52.090 52.037 0.152 0.000 0.831 281 A CB 0.588 19.686 19.000 0.162 0.000 1.102 281 A HN 0.998 nan 8.150 nan 0.000 0.513 282 S N 1.900 117.712 115.700 0.186 0.000 2.562 282 S HA 0.092 4.561 4.470 -0.001 0.000 0.221 282 S C 1.055 175.751 174.600 0.160 0.000 0.975 282 S CA 0.644 58.945 58.200 0.169 0.000 0.918 282 S CB 0.094 63.399 63.200 0.175 0.000 0.772 282 S HN 1.184 nan 8.310 nan 0.000 0.531 283 G N 1.783 110.703 108.800 0.201 0.000 4.291 283 G HA2 0.512 4.472 3.960 -0.001 0.000 0.304 283 G HA3 0.512 4.472 3.960 -0.001 0.000 0.304 283 G C -0.083 174.944 174.900 0.212 0.000 1.264 283 G CA -0.107 45.118 45.100 0.207 0.000 1.039 283 G HN 0.556 nan 8.290 nan 0.000 0.578 284 V N -2.598 117.423 119.914 0.180 0.000 3.046 284 V HA 0.577 4.696 4.120 -0.001 0.000 0.316 284 V C 1.337 177.509 176.094 0.131 0.000 1.104 284 V CA -0.981 61.440 62.300 0.202 0.000 1.006 284 V CB 1.760 33.766 31.823 0.305 0.000 1.058 284 V HN 0.058 nan 8.190 nan 0.000 0.440 285 L N 2.362 123.676 121.223 0.152 0.000 2.131 285 L HA -0.042 4.298 4.340 -0.001 0.000 0.210 285 L C 2.265 179.154 176.870 0.031 0.000 1.092 285 L CA 2.989 57.902 54.840 0.121 0.000 0.759 285 L CB -0.620 41.538 42.059 0.164 0.000 0.903 285 L HN 1.080 nan 8.230 nan 0.000 0.435 286 T N -5.945 108.555 114.554 -0.090 0.000 3.129 286 T HA 0.003 4.352 4.350 -0.001 0.000 0.251 286 T C 1.580 176.220 174.700 -0.100 0.000 1.117 286 T CA 0.731 62.720 62.100 -0.185 0.000 1.034 286 T CB -0.690 67.891 68.868 -0.477 0.000 0.968 286 T HN 0.273 nan 8.240 nan 0.000 0.526 287 T N 2.060 116.589 114.554 -0.041 0.000 2.652 287 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 287 T C 2.214 176.932 174.700 0.030 0.000 1.039 287 T CA 1.790 63.901 62.100 0.019 0.000 1.153 287 T CB -0.647 68.257 68.868 0.059 0.000 0.863 287 T HN 0.548 nan 8.240 nan 0.000 0.428 288 S N -0.156 115.541 115.700 -0.005 0.000 2.343 288 S HA -0.157 4.312 4.470 -0.001 0.000 0.219 288 S C 2.460 177.088 174.600 0.046 0.000 1.033 288 S CA 1.482 59.673 58.200 -0.015 0.000 1.014 288 S CB -0.999 62.087 63.200 -0.190 0.000 0.915 288 S HN 0.670 nan 8.310 nan 0.000 0.435 289 C N 1.345 120.646 119.300 0.000 0.000 2.429 289 C HA 0.086 4.545 4.460 -0.001 0.000 0.277 289 C C 2.808 177.851 174.990 0.088 0.000 1.262 289 C CA 1.139 60.178 59.018 0.033 0.000 1.733 289 C CB -1.853 25.870 27.740 -0.029 0.000 2.010 289 C HN 0.726 nan 8.230 nan 0.000 0.483 290 G N 0.471 109.328 108.800 0.095 0.000 2.421 290 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.216 290 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.216 290 G C 1.533 176.517 174.900 0.140 0.000 1.171 290 G CA 1.035 46.200 45.100 0.110 0.000 0.775 290 G HN 0.583 nan 8.290 nan 0.000 0.543 291 N N 0.462 119.247 118.700 0.143 0.000 2.104 291 N HA -0.092 4.648 4.740 -0.001 0.000 0.190 291 N C 2.412 177.963 175.510 0.068 0.000 1.024 291 N CA 1.686 54.824 53.050 0.146 0.000 0.853 291 N CB -0.793 37.663 38.487 -0.052 0.000 1.008 291 N HN 0.249 nan 8.380 nan 0.000 0.424 292 T N 1.930 116.532 114.554 0.081 0.000 2.708 292 T HA -0.030 4.320 4.350 -0.001 0.000 0.266 292 T C 2.155 176.934 174.700 0.131 0.000 1.037 292 T CA 0.726 62.892 62.100 0.109 0.000 1.146 292 T CB -0.327 68.674 68.868 0.222 0.000 0.865 292 T HN 0.135 nan 8.240 nan 0.000 0.435 293 L N 0.591 121.871 121.223 0.095 0.000 2.017 293 L HA -0.132 4.208 4.340 -0.001 0.000 0.208 293 L C 2.954 179.912 176.870 0.147 0.000 1.073 293 L CA 1.317 56.195 54.840 0.064 0.000 0.745 293 L CB -1.027 41.032 42.059 -0.001 0.000 0.894 293 L HN 0.289 nan 8.230 nan 0.000 0.432 294 T N -1.415 113.249 114.554 0.183 0.000 2.821 294 T HA -0.225 4.125 4.350 -0.001 0.000 0.267 294 T C 1.983 176.880 174.700 0.328 0.000 1.046 294 T CA 1.415 63.657 62.100 0.236 0.000 1.139 294 T CB -0.393 68.639 68.868 0.275 0.000 0.871 294 T HN 0.475 nan 8.240 nan 0.000 0.454 295 C N 0.598 120.144 119.300 0.411 0.000 2.446 295 C HA -0.035 4.425 4.460 -0.001 0.000 0.277 295 C C 2.382 177.539 174.990 0.277 0.000 1.275 295 C CA 0.297 59.559 59.018 0.407 0.000 1.727 295 C CB -1.389 26.489 27.740 0.231 0.000 2.010 295 C HN 0.661 nan 8.230 nan 0.000 0.486 296 Y N 0.951 121.317 120.300 0.111 0.000 2.293 296 Y HA -0.047 4.503 4.550 -0.001 0.000 0.291 296 Y C 2.079 178.001 175.900 0.037 0.000 1.137 296 Y CA 1.883 60.024 58.100 0.068 0.000 1.202 296 Y CB -0.469 38.014 38.460 0.037 0.000 0.990 296 Y HN 0.337 nan 8.280 nan 0.000 0.537 297 L N 0.987 122.329 121.223 0.199 0.000 1.988 297 L HA -0.130 4.209 4.340 -0.001 0.000 0.207 297 L C 2.113 178.930 176.870 -0.089 0.000 1.071 297 L CA 1.944 56.789 54.840 0.008 0.000 0.744 297 L CB -1.009 41.017 42.059 -0.056 0.000 0.893 297 L HN 0.108 nan 8.230 nan 0.000 0.433 298 K N -0.288 120.115 120.400 0.004 0.000 2.032 298 K HA -0.121 4.198 4.320 -0.001 0.000 0.209 298 K C 2.086 178.709 176.600 0.037 0.000 1.048 298 K CA 1.510 57.798 56.287 0.001 0.000 0.927 298 K CB -0.497 32.086 32.500 0.139 0.000 0.712 298 K HN 0.494 nan 8.250 nan 0.000 0.441 299 A N 1.181 124.028 122.820 0.046 0.000 1.902 299 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 299 A C 2.245 179.875 177.584 0.077 0.000 1.181 299 A CA 1.920 54.019 52.037 0.102 0.000 0.623 299 A CB -0.573 18.544 19.000 0.195 0.000 0.818 299 A HN 0.194 nan 8.150 nan 0.000 0.443 300 S N -0.008 115.609 115.700 -0.138 0.000 2.368 300 S HA -0.052 4.418 4.470 -0.001 0.000 0.225 300 S C 2.304 176.864 174.600 -0.066 0.000 1.030 300 S CA 1.225 59.308 58.200 -0.194 0.000 0.999 300 S CB -0.492 62.457 63.200 -0.418 0.000 0.844 300 S HN 0.803 nan 8.310 nan 0.000 0.459 301 A N 1.617 124.410 122.820 -0.046 0.000 1.902 301 A HA 0.141 4.460 4.320 -0.001 0.000 0.217 301 A C 2.366 180.031 177.584 0.134 0.000 1.181 301 A CA 1.644 53.706 52.037 0.042 0.000 0.623 301 A CB -1.089 17.904 19.000 -0.011 0.000 0.818 301 A HN 0.510 nan 8.150 nan 0.000 0.443 302 A N -0.887 122.037 122.820 0.172 0.000 1.902 302 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 302 A C 2.288 179.950 177.584 0.129 0.000 1.181 302 A CA 1.712 53.748 52.037 -0.002 0.000 0.623 302 A CB -1.345 17.282 19.000 -0.622 0.000 0.818 302 A HN 0.602 nan 8.150 nan 0.000 0.443 303 C N -0.918 118.542 119.300 0.267 0.000 2.413 303 C HA -0.107 4.353 4.460 -0.001 0.000 0.277 303 C C 2.906 177.910 174.990 0.024 0.000 1.265 303 C CA 1.201 60.354 59.018 0.224 0.000 1.752 303 C CB -1.343 26.473 27.740 0.126 0.000 1.998 303 C HN 0.602 nan 8.230 nan 0.000 0.489 304 R N 0.960 121.389 120.500 -0.119 0.000 2.062 304 R HA -0.024 4.315 4.340 -0.001 0.000 0.229 304 R C 2.446 178.487 176.300 -0.433 0.000 1.128 304 R CA 1.460 57.358 56.100 -0.336 0.000 0.960 304 R CB -0.551 29.403 30.300 -0.576 0.000 0.855 304 R HN 0.504 nan 8.270 nan 0.000 0.432 305 A N 1.353 123.943 122.820 -0.383 0.000 1.972 305 A HA -0.078 4.242 4.320 -0.001 0.000 0.219 305 A C 2.252 179.824 177.584 -0.019 0.000 1.169 305 A CA 1.700 53.675 52.037 -0.104 0.000 0.635 305 A CB -0.437 18.587 19.000 0.040 0.000 0.810 305 A HN 0.392 nan 8.150 nan 0.000 0.446 306 A N -1.385 121.438 122.820 0.005 0.000 2.169 306 A HA 0.251 4.571 4.320 -0.001 0.000 0.212 306 A C 0.941 178.539 177.584 0.024 0.000 1.153 306 A CA 0.840 52.904 52.037 0.045 0.000 0.756 306 A CB -0.313 18.774 19.000 0.145 0.000 0.813 306 A HN 0.489 nan 8.150 nan 0.000 0.471 307 K N -1.438 118.962 120.400 0.000 0.000 3.239 307 K HA -0.129 4.190 4.320 -0.001 0.000 0.270 307 K C -1.318 175.283 176.600 0.002 0.000 1.083 307 K CA 0.133 56.418 56.287 -0.003 0.000 0.782 307 K CB -1.909 30.595 32.500 0.007 0.000 1.290 307 K HN 0.278 nan 8.250 nan 0.000 0.474 308 L N 1.941 123.168 121.223 0.006 0.000 2.292 308 L HA 0.180 4.519 4.340 -0.001 0.000 0.284 308 L C 0.714 177.578 176.870 -0.009 0.000 1.065 308 L CA 0.113 54.954 54.840 0.003 0.000 0.806 308 L CB 1.219 43.288 42.059 0.017 0.000 1.175 308 L HN 0.091 nan 8.230 nan 0.000 0.431 309 Q N 2.267 122.058 119.800 -0.015 0.000 2.288 309 Q HA 0.125 4.464 4.340 -0.001 0.000 0.254 309 Q C -0.106 175.876 176.000 -0.031 0.000 0.932 309 Q CA -0.476 55.315 55.803 -0.021 0.000 0.902 309 Q CB 0.491 29.215 28.738 -0.024 0.000 1.203 309 Q HN 0.534 nan 8.270 nan 0.000 0.415 310 D N 0.945 121.329 120.400 -0.027 0.000 2.890 310 D HA -0.192 4.447 4.640 -0.001 0.000 0.226 310 D C -1.162 175.115 176.300 -0.039 0.000 1.207 310 D CA 0.221 54.202 54.000 -0.031 0.000 0.764 310 D CB -0.789 39.985 40.800 -0.043 0.000 0.948 310 D HN 0.551 nan 8.370 nan 0.000 0.404 311 C N 2.253 121.535 119.300 -0.029 0.000 2.442 311 C HA 0.385 4.845 4.460 -0.001 0.000 0.362 311 C C 0.719 175.692 174.990 -0.028 0.000 1.242 311 C CA -0.110 58.886 59.018 -0.037 0.000 1.741 311 C CB -0.427 27.295 27.740 -0.030 0.000 2.378 311 C HN 0.433 nan 8.230 nan 0.000 0.549 312 T N 6.950 121.482 114.554 -0.037 0.000 2.794 312 T HA 0.557 4.907 4.350 -0.001 0.000 0.280 312 T C -0.229 174.479 174.700 0.012 0.000 0.987 312 T CA -0.205 61.904 62.100 0.016 0.000 0.993 312 T CB 1.061 69.923 68.868 -0.010 0.000 0.939 312 T HN 0.555 nan 8.240 nan 0.000 0.449 313 M N 2.796 122.451 119.600 0.092 0.000 2.662 313 M HA 0.647 5.127 4.480 -0.001 0.000 0.310 313 M C -1.376 175.047 176.300 0.205 0.000 1.204 313 M CA -1.115 54.229 55.300 0.074 0.000 0.891 313 M CB 2.203 34.815 32.600 0.019 0.000 1.732 313 M HN 0.327 nan 8.290 nan 0.000 0.467 314 L N 2.359 123.665 121.223 0.138 0.000 2.415 314 L HA 0.647 4.986 4.340 -0.001 0.000 0.268 314 L C -1.656 175.227 176.870 0.022 0.000 0.984 314 L CA -0.438 54.486 54.840 0.140 0.000 0.853 314 L CB 1.604 43.778 42.059 0.192 0.000 1.215 314 L HN 0.476 nan 8.230 nan 0.000 0.419 315 V N 4.458 124.367 119.914 -0.008 0.000 2.495 315 V HA 0.585 4.705 4.120 -0.001 0.000 0.298 315 V C -0.631 175.291 176.094 -0.288 0.000 1.031 315 V CA -0.585 61.681 62.300 -0.057 0.000 0.871 315 V CB 1.879 33.761 31.823 0.100 0.000 0.988 315 V HN 0.798 nan 8.190 nan 0.000 0.432 316 N N 3.617 122.099 118.700 -0.364 0.000 2.617 316 N HA 0.610 5.350 4.740 -0.001 0.000 0.263 316 N C 0.580 175.922 175.510 -0.281 0.000 1.074 316 N CA 0.478 53.083 53.050 -0.741 0.000 0.841 316 N CB 1.761 39.754 38.487 -0.824 0.000 1.221 316 N HN 1.010 nan 8.380 nan 0.000 0.529 317 G N 2.485 111.263 108.800 -0.037 0.000 2.602 317 G HA2 -0.412 3.548 3.960 -0.001 0.000 0.310 317 G HA3 -0.412 3.548 3.960 -0.001 0.000 0.310 317 G C 0.566 175.309 174.900 -0.262 0.000 1.183 317 G CA 0.857 45.959 45.100 0.003 0.000 0.979 317 G HN 0.631 nan 8.290 nan 0.000 0.545 318 D N 1.143 121.320 120.400 -0.371 0.000 2.349 318 D HA 0.101 4.740 4.640 -0.001 0.000 0.214 318 D C 0.328 176.504 176.300 -0.207 0.000 1.063 318 D CA 0.715 54.321 54.000 -0.656 0.000 0.847 318 D CB -0.082 40.331 40.800 -0.644 0.000 0.933 318 D HN 0.396 nan 8.370 nan 0.000 0.513 319 D N 0.916 121.247 120.400 -0.115 0.000 2.295 319 D HA 0.242 4.881 4.640 -0.001 0.000 0.248 319 D C -0.933 175.354 176.300 -0.021 0.000 1.154 319 D CA -0.474 53.504 54.000 -0.036 0.000 0.857 319 D CB 1.109 41.882 40.800 -0.045 0.000 1.117 319 D HN 0.065 nan 8.370 nan 0.000 0.468 320 L N 4.723 125.980 121.223 0.057 0.000 2.362 320 L HA 0.456 4.796 4.340 -0.001 0.000 0.275 320 L C -1.458 175.411 176.870 -0.001 0.000 0.998 320 L CA -0.595 54.284 54.840 0.065 0.000 0.820 320 L CB 1.945 44.118 42.059 0.191 0.000 1.270 320 L HN 0.104 nan 8.230 nan 0.000 0.415 321 V N 5.164 125.036 119.914 -0.070 0.000 2.588 321 V HA 0.678 4.797 4.120 -0.001 0.000 0.304 321 V C -0.713 175.218 176.094 -0.272 0.000 1.042 321 V CA -0.717 61.484 62.300 -0.164 0.000 0.877 321 V CB 1.869 33.641 31.823 -0.086 0.000 0.996 321 V HN 0.520 nan 8.190 nan 0.000 0.425 322 V N 5.826 125.394 119.914 -0.578 0.000 2.531 322 V HA 0.578 4.697 4.120 -0.001 0.000 0.301 322 V C -0.503 175.317 176.094 -0.458 0.000 1.034 322 V CA -0.363 61.562 62.300 -0.624 0.000 0.865 322 V CB 1.954 33.123 31.823 -1.091 0.000 0.995 322 V HN 0.733 nan 8.190 nan 0.000 0.424 323 I N 5.029 125.470 120.570 -0.215 0.000 2.465 323 I HA 0.753 4.923 4.170 -0.001 0.000 0.291 323 I C -0.220 175.822 176.117 -0.125 0.000 1.014 323 I CA -0.364 60.864 61.300 -0.120 0.000 1.093 323 I CB 1.851 39.816 38.000 -0.057 0.000 1.267 323 I HN 0.892 nan 8.210 nan 0.000 0.431 324 C N 2.278 121.503 119.300 -0.125 0.000 3.332 324 C HA 0.515 4.974 4.460 -0.001 0.000 0.329 324 C C -0.706 174.203 174.990 -0.136 0.000 1.434 324 C CA -0.986 57.969 59.018 -0.106 0.000 1.314 324 C CB 1.768 29.480 27.740 -0.046 0.000 1.664 324 C HN 0.655 nan 8.230 nan 0.000 0.457 325 E N 1.880 122.017 120.200 -0.105 0.000 2.351 325 E HA 0.236 4.586 4.350 -0.001 0.000 0.266 325 E C 0.400 176.960 176.600 -0.066 0.000 1.031 325 E CA 0.545 56.884 56.400 -0.102 0.000 0.911 325 E CB 1.306 30.962 29.700 -0.074 0.000 0.986 325 E HN 0.705 nan 8.360 nan 0.000 0.446 326 S N 1.717 117.381 115.700 -0.061 0.000 2.600 326 S HA 0.369 4.838 4.470 -0.001 0.000 0.265 326 S C 0.175 174.774 174.600 -0.002 0.000 1.325 326 S CA 0.183 58.387 58.200 0.008 0.000 1.002 326 S CB 0.592 63.839 63.200 0.078 0.000 0.921 326 S HN 0.538 nan 8.310 nan 0.000 0.554 327 A N 1.878 124.708 122.820 0.017 0.000 2.709 327 A HA 0.635 4.955 4.320 -0.001 0.000 0.241 327 A C 0.482 178.067 177.584 0.002 0.000 0.879 327 A CA 0.158 52.194 52.037 -0.001 0.000 1.120 327 A CB -0.487 18.510 19.000 -0.004 0.000 1.226 327 A HN 1.983 nan 8.150 nan 0.000 0.468 328 G N -1.307 107.495 108.800 0.003 0.000 2.895 328 G HA2 0.119 4.078 3.960 -0.001 0.000 0.686 328 G HA3 0.119 4.078 3.960 -0.001 0.000 0.686 328 G C 0.656 175.572 174.900 0.026 0.000 1.108 328 G CA -0.034 45.057 45.100 -0.015 0.000 0.761 328 G HN 1.303 nan 8.290 nan 0.000 0.611 329 V N 1.873 121.787 119.914 -0.000 0.000 2.546 329 V HA -0.207 3.913 4.120 -0.001 0.000 0.254 329 V C 2.605 178.738 176.094 0.065 0.000 1.076 329 V CA 3.149 65.503 62.300 0.090 0.000 1.087 329 V CB -0.155 31.683 31.823 0.025 0.000 0.674 329 V HN 0.775 nan 8.190 nan 0.000 0.470 330 Q N -0.424 119.390 119.800 0.023 0.000 2.020 330 Q HA -0.126 4.213 4.340 -0.001 0.000 0.198 330 Q C 2.312 178.319 176.000 0.011 0.000 0.974 330 Q CA 1.783 57.594 55.803 0.013 0.000 0.829 330 Q CB -0.483 28.255 28.738 0.001 0.000 0.894 330 Q HN 0.657 nan 8.270 nan 0.000 0.433 331 E N 0.807 121.012 120.200 0.009 0.000 2.072 331 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 331 E C 1.603 178.204 176.600 0.001 0.000 0.985 331 E CA 0.763 57.165 56.400 0.003 0.000 0.801 331 E CB 0.028 29.729 29.700 0.001 0.000 0.750 331 E HN 0.313 nan 8.360 nan 0.000 0.452 332 D N 0.792 121.204 120.400 0.021 0.000 2.116 332 D HA -0.159 4.481 4.640 -0.001 0.000 0.193 332 D C 1.828 178.103 176.300 -0.042 0.000 0.998 332 D CA 1.564 55.567 54.000 0.006 0.000 0.836 332 D CB -0.306 40.548 40.800 0.089 0.000 0.951 332 D HN 0.158 nan 8.370 nan 0.000 0.449 333 A N 0.752 123.565 122.820 -0.011 0.000 1.972 333 A HA -0.016 4.303 4.320 -0.001 0.000 0.219 333 A C 2.275 179.834 177.584 -0.042 0.000 1.169 333 A CA 2.148 54.165 52.037 -0.033 0.000 0.635 333 A CB -0.592 18.407 19.000 -0.001 0.000 0.810 333 A HN 0.246 nan 8.150 nan 0.000 0.446 334 A N -0.688 122.117 122.820 -0.026 0.000 1.855 334 A HA -0.030 4.290 4.320 -0.001 0.000 0.215 334 A C 2.443 180.010 177.584 -0.028 0.000 1.191 334 A CA 1.910 53.934 52.037 -0.021 0.000 0.613 334 A CB -0.939 18.055 19.000 -0.011 0.000 0.829 334 A HN 0.427 nan 8.150 nan 0.000 0.442 335 S N -0.241 115.438 115.700 -0.036 0.000 2.370 335 S HA -0.129 4.340 4.470 -0.001 0.000 0.226 335 S C 1.862 176.431 174.600 -0.051 0.000 1.033 335 S CA 1.335 59.515 58.200 -0.033 0.000 1.011 335 S CB -0.466 62.710 63.200 -0.040 0.000 0.852 335 S HN 0.486 nan 8.310 nan 0.000 0.457 336 L N 0.807 121.944 121.223 -0.143 0.000 2.042 336 L HA -0.165 4.174 4.340 -0.001 0.000 0.210 336 L C 2.645 179.492 176.870 -0.039 0.000 1.076 336 L CA 1.446 56.143 54.840 -0.238 0.000 0.749 336 L CB -0.231 41.604 42.059 -0.372 0.000 0.893 336 L HN 0.261 nan 8.230 nan 0.000 0.432 337 R N -0.765 119.719 120.500 -0.026 0.000 2.096 337 R HA -0.145 4.194 4.340 -0.001 0.000 0.235 337 R C 2.311 178.622 176.300 0.019 0.000 1.127 337 R CA 1.309 57.414 56.100 0.009 0.000 0.968 337 R CB -0.408 29.889 30.300 -0.006 0.000 0.861 337 R HN 0.411 nan 8.270 nan 0.000 0.440 338 A N 0.542 123.371 122.820 0.016 0.000 1.902 338 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 338 A C 1.944 179.534 177.584 0.009 0.000 1.181 338 A CA 1.085 53.125 52.037 0.005 0.000 0.623 338 A CB -0.636 18.370 19.000 0.010 0.000 0.818 338 A HN 0.372 nan 8.150 nan 0.000 0.443 339 F N 1.469 121.363 119.950 -0.094 0.000 2.069 339 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 339 F C 2.494 178.222 175.800 -0.119 0.000 1.113 339 F CA 2.487 60.425 58.000 -0.103 0.000 1.214 339 F CB -0.780 38.157 39.000 -0.105 0.000 0.978 339 F HN 0.211 nan 8.300 nan 0.000 0.474 340 T N 0.028 114.628 114.554 0.076 0.000 2.759 340 T HA -0.231 4.118 4.350 -0.001 0.000 0.269 340 T C 1.728 176.385 174.700 -0.071 0.000 1.042 340 T CA 1.873 64.014 62.100 0.070 0.000 1.140 340 T CB -0.385 68.611 68.868 0.214 0.000 0.864 340 T HN 0.419 nan 8.240 nan 0.000 0.455 341 E N 0.724 120.868 120.200 -0.093 0.000 2.072 341 E HA -0.017 4.332 4.350 -0.001 0.000 0.191 341 E C 2.580 179.028 176.600 -0.254 0.000 0.985 341 E CA 0.920 57.242 56.400 -0.129 0.000 0.801 341 E CB -0.205 29.438 29.700 -0.095 0.000 0.750 341 E HN 0.484 nan 8.360 nan 0.000 0.452 342 A N 1.192 123.804 122.820 -0.348 0.000 1.877 342 A HA -0.194 4.125 4.320 -0.001 0.000 0.216 342 A C 2.153 179.268 177.584 -0.781 0.000 1.186 342 A CA 1.292 52.971 52.037 -0.597 0.000 0.620 342 A CB -0.352 18.355 19.000 -0.488 0.000 0.822 342 A HN 0.130 nan 8.150 nan 0.000 0.443 343 M N -0.153 119.102 119.600 -0.575 0.000 2.149 343 M HA -0.126 4.354 4.480 -0.001 0.000 0.261 343 M C 2.179 178.377 176.300 -0.171 0.000 1.064 343 M CA 2.082 57.171 55.300 -0.351 0.000 1.102 343 M CB -1.944 30.366 32.600 -0.482 0.000 1.369 343 M HN 0.475 nan 8.290 nan 0.000 0.408 344 T N 0.033 114.487 114.554 -0.167 0.000 2.708 344 T HA -0.115 4.234 4.350 -0.001 0.000 0.266 344 T C 1.969 176.588 174.700 -0.135 0.000 1.037 344 T CA 1.118 63.161 62.100 -0.094 0.000 1.146 344 T CB -0.214 68.608 68.868 -0.077 0.000 0.865 344 T HN 0.382 nan 8.240 nan 0.000 0.435 345 R N 0.053 120.404 120.500 -0.248 0.000 2.120 345 R HA -0.069 4.270 4.340 -0.001 0.000 0.234 345 R C 1.695 177.907 176.300 -0.147 0.000 1.123 345 R CA 1.129 57.084 56.100 -0.240 0.000 0.975 345 R CB -0.303 29.788 30.300 -0.349 0.000 0.866 345 R HN 0.444 nan 8.270 nan 0.000 0.446 346 Y N 0.084 120.314 120.300 -0.116 0.000 2.502 346 Y HA 0.084 4.633 4.550 -0.000 0.000 0.295 346 Y C 0.828 176.661 175.900 -0.111 0.000 1.193 346 Y CA -0.292 57.728 58.100 -0.133 0.000 1.295 346 Y CB -0.220 38.188 38.460 -0.086 0.000 1.059 346 Y HN -0.044 nan 8.280 nan 0.000 0.514 347 S N -0.010 115.709 115.700 0.032 0.000 3.978 347 S HA -0.057 4.413 4.470 -0.001 0.000 0.402 347 S C -0.096 174.504 174.600 -0.000 0.000 0.927 347 S CA 0.453 58.656 58.200 0.006 0.000 1.197 347 S CB -1.413 61.784 63.200 -0.005 0.000 0.855 347 S HN 0.799 nan 8.310 nan 0.000 0.524 348 A N 2.070 124.904 122.820 0.023 0.000 3.455 348 A HA 0.541 4.860 4.320 -0.001 0.000 0.225 348 A C -2.345 175.334 177.584 0.158 0.000 1.052 348 A CA -0.425 51.649 52.037 0.062 0.000 1.005 348 A CB 0.853 19.913 19.000 0.101 0.000 1.318 348 A HN 0.466 nan 8.150 nan 0.000 0.639 349 P HA 0.257 nan 4.420 nan 0.000 0.269 349 P C -2.947 174.400 177.300 0.078 0.000 1.209 349 P CA -0.906 62.237 63.100 0.072 0.000 0.776 349 P CB 0.565 32.240 31.700 -0.040 0.000 0.876 350 P HA 0.093 nan 4.420 nan 0.000 0.286 350 P C 1.020 178.251 177.300 -0.116 0.000 1.269 350 P CA 0.057 63.041 63.100 -0.193 0.000 0.787 350 P CB 0.942 32.489 31.700 -0.256 0.000 0.920 351 G N 3.447 112.180 108.800 -0.111 0.000 2.404 351 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.215 351 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.215 351 G C 0.214 175.077 174.900 -0.062 0.000 1.174 351 G CA 0.582 45.645 45.100 -0.061 0.000 0.780 351 G HN 0.479 nan 8.290 nan 0.000 0.537 352 D N 0.410 120.761 120.400 -0.082 0.000 2.502 352 D HA 0.361 5.000 4.640 -0.001 0.000 0.249 352 D C -2.659 173.603 176.300 -0.064 0.000 1.092 352 D CA -1.248 52.718 54.000 -0.057 0.000 0.839 352 D CB 2.138 42.914 40.800 -0.040 0.000 1.264 352 D HN -0.082 nan 8.370 nan 0.000 0.511 353 P HA 0.063 nan 4.420 nan 0.000 0.261 353 P C -2.265 175.043 177.300 0.014 0.000 1.183 353 P CA -0.619 62.480 63.100 -0.001 0.000 0.761 353 P CB -0.120 31.582 31.700 0.004 0.000 0.785 354 P HA 0.096 nan 4.420 nan 0.000 0.271 354 P C -0.827 176.486 177.300 0.021 0.000 1.216 354 P CA 0.045 63.205 63.100 0.100 0.000 0.776 354 P CB 1.034 32.889 31.700 0.258 0.000 0.881 355 Q N 2.866 122.686 119.800 0.034 0.000 2.356 355 Q HA 0.408 4.747 4.340 -0.001 0.000 0.270 355 Q C -2.313 173.676 176.000 -0.017 0.000 1.058 355 Q CA -2.157 53.641 55.803 -0.009 0.000 0.802 355 Q CB 2.440 31.184 28.738 0.010 0.000 1.303 355 Q HN 0.415 nan 8.270 nan 0.000 0.444 356 P HA 0.079 nan 4.420 nan 0.000 0.271 356 P C -0.795 176.343 177.300 -0.269 0.000 1.216 356 P CA 0.003 62.993 63.100 -0.183 0.000 0.776 356 P CB 1.106 32.670 31.700 -0.227 0.000 0.881 357 E N 1.915 121.928 120.200 -0.311 0.000 2.248 357 E HA 0.227 4.576 4.350 -0.001 0.000 0.267 357 E C -0.567 175.856 176.600 -0.295 0.000 0.877 357 E CA -0.503 55.755 56.400 -0.237 0.000 0.759 357 E CB 1.481 31.170 29.700 -0.018 0.000 1.182 357 E HN 0.419 nan 8.360 nan 0.000 0.418 358 Y N -0.254 120.200 120.300 0.258 0.000 2.481 358 Y HA 0.183 4.732 4.550 -0.001 0.000 0.247 358 Y C 0.360 176.524 175.900 0.441 0.000 1.151 358 Y CA -0.367 57.942 58.100 0.349 0.000 1.238 358 Y CB 1.012 39.575 38.460 0.171 0.000 1.179 358 Y HN 0.223 nan 8.280 nan 0.000 0.524 359 D N 0.722 121.286 120.400 0.273 0.000 2.462 359 D HA 0.104 4.744 4.640 -0.001 0.000 0.245 359 D C 0.901 176.974 176.300 -0.379 0.000 1.122 359 D CA -0.210 53.794 54.000 0.007 0.000 0.864 359 D CB 1.606 42.420 40.800 0.024 0.000 1.098 359 D HN 0.145 nan 8.370 nan 0.000 0.541 360 L N 4.722 125.341 121.223 -1.007 0.000 1.997 360 L HA -0.194 4.146 4.340 -0.001 0.000 0.216 360 L C 1.690 178.229 176.870 -0.552 0.000 1.074 360 L CA 2.075 56.185 54.840 -1.216 0.000 0.763 360 L CB -0.406 40.758 42.059 -1.492 0.000 0.890 360 L HN 0.499 nan 8.230 nan 0.000 0.434 361 E N -0.789 119.183 120.200 -0.381 0.000 2.331 361 E HA -0.198 4.152 4.350 -0.001 0.000 0.199 361 E C 2.029 178.536 176.600 -0.156 0.000 1.008 361 E CA 1.011 57.280 56.400 -0.219 0.000 0.843 361 E CB -0.227 29.391 29.700 -0.137 0.000 0.761 361 E HN 0.566 nan 8.360 nan 0.000 0.507 362 L N 0.660 121.793 121.223 -0.150 0.000 2.567 362 L HA 0.156 4.495 4.340 -0.001 0.000 0.225 362 L C 0.746 177.570 176.870 -0.078 0.000 1.119 362 L CA -0.094 54.696 54.840 -0.084 0.000 0.871 362 L CB 0.191 42.224 42.059 -0.043 0.000 1.036 362 L HN 0.044 nan 8.230 nan 0.000 0.459 363 I N 0.354 120.852 120.570 -0.120 0.000 2.352 363 I HA 0.081 4.250 4.170 -0.001 0.000 0.290 363 I C -0.023 176.051 176.117 -0.071 0.000 1.036 363 I CA 0.169 61.420 61.300 -0.083 0.000 1.336 363 I CB 1.254 39.193 38.000 -0.102 0.000 1.407 363 I HN -0.073 nan 8.210 nan 0.000 0.497 364 T N 5.075 119.607 114.554 -0.037 0.000 2.758 364 T HA 0.422 4.772 4.350 -0.001 0.000 0.285 364 T C -0.211 174.483 174.700 -0.009 0.000 0.981 364 T CA -0.639 61.447 62.100 -0.023 0.000 0.965 364 T CB 0.917 69.776 68.868 -0.015 0.000 0.927 364 T HN 0.706 nan 8.240 nan 0.000 0.448 365 S N 0.856 116.553 115.700 -0.005 0.000 2.571 365 S HA 0.449 4.919 4.470 -0.001 0.000 0.284 365 S C 0.162 174.777 174.600 0.026 0.000 1.128 365 S CA -0.809 57.392 58.200 0.002 0.000 0.970 365 S CB 0.712 63.901 63.200 -0.020 0.000 1.039 365 S HN 0.889 nan 8.310 nan 0.000 0.485 366 C N 2.195 121.514 119.300 0.032 0.000 4.454 366 C HA -0.179 4.280 4.460 -0.001 0.000 0.298 366 C C 1.337 176.389 174.990 0.103 0.000 1.384 366 C CA 0.757 59.814 59.018 0.066 0.000 2.002 366 C CB -3.173 24.608 27.740 0.068 0.000 1.249 366 C HN 1.664 nan 8.230 nan 0.000 0.783 367 S N -1.519 114.223 115.700 0.070 0.000 3.358 367 S HA -0.200 4.269 4.470 -0.001 0.000 0.309 367 S C 0.304 174.936 174.600 0.053 0.000 1.247 367 S CA 1.297 59.531 58.200 0.057 0.000 0.961 367 S CB -0.872 62.372 63.200 0.073 0.000 1.074 367 S HN 1.018 nan 8.310 nan 0.000 0.625 368 S N 1.709 117.453 115.700 0.073 0.000 2.671 368 S HA 0.811 5.281 4.470 -0.001 0.000 0.299 368 S C -0.365 174.250 174.600 0.025 0.000 1.116 368 S CA -0.857 57.394 58.200 0.086 0.000 0.912 368 S CB 1.800 65.125 63.200 0.209 0.000 1.130 368 S HN 0.620 nan 8.310 nan 0.000 0.501 369 N N -0.894 117.808 118.700 0.004 0.000 2.484 369 N HA 0.330 5.070 4.740 -0.001 0.000 0.269 369 N C -1.650 173.795 175.510 -0.108 0.000 1.237 369 N CA -0.558 52.456 53.050 -0.061 0.000 0.838 369 N CB 1.027 39.471 38.487 -0.073 0.000 1.593 369 N HN 0.332 nan 8.380 nan 0.000 0.485 370 V N 0.632 120.451 119.914 -0.159 0.000 2.686 370 V HA 0.405 4.524 4.120 -0.001 0.000 0.295 370 V C 0.515 176.469 176.094 -0.232 0.000 1.055 370 V CA 0.166 62.344 62.300 -0.204 0.000 1.050 370 V CB 1.021 32.704 31.823 -0.234 0.000 0.984 370 V HN 0.835 nan 8.190 nan 0.000 0.482 371 S N 2.405 117.885 115.700 -0.366 0.000 2.685 371 S HA 0.759 5.228 4.470 -0.001 0.000 0.282 371 S C -1.322 173.132 174.600 -0.243 0.000 1.159 371 S CA -0.443 57.550 58.200 -0.345 0.000 0.833 371 S CB 2.060 64.979 63.200 -0.468 0.000 1.151 371 S HN 0.647 nan 8.310 nan 0.000 0.485 372 V N 1.338 121.222 119.914 -0.050 0.000 2.680 372 V HA 0.995 5.115 4.120 -0.001 0.000 0.309 372 V C -0.200 175.875 176.094 -0.032 0.000 1.052 372 V CA 0.264 62.502 62.300 -0.102 0.000 0.908 372 V CB 1.229 32.850 31.823 -0.337 0.000 1.001 372 V HN 1.253 nan 8.190 nan 0.000 0.431 373 A N 4.781 127.439 122.820 -0.270 0.000 2.525 373 A HA 0.875 5.194 4.320 -0.001 0.000 0.291 373 A C -1.243 175.880 177.584 -0.768 0.000 1.268 373 A CA -0.597 51.126 52.037 -0.525 0.000 0.712 373 A CB 1.726 20.202 19.000 -0.873 0.000 1.320 373 A HN 0.925 nan 8.150 nan 0.000 0.456 374 H N 0.087 118.783 119.070 -0.622 0.000 2.768 374 H HA 0.416 4.972 4.556 -0.001 0.000 0.371 374 H C -1.170 173.767 175.328 -0.651 0.000 1.151 374 H CA -0.355 55.325 56.048 -0.613 0.000 1.165 374 H CB 1.945 31.293 29.762 -0.691 0.000 1.722 374 H HN 0.905 nan 8.280 nan 0.000 0.543 375 D N 0.473 120.741 120.400 -0.220 0.000 2.511 375 D HA 0.264 4.904 4.640 -0.001 0.000 0.276 375 D C 1.324 177.685 176.300 0.102 0.000 1.220 375 D CA -0.502 53.449 54.000 -0.082 0.000 1.077 375 D CB 0.243 41.012 40.800 -0.051 0.000 1.126 375 D HN 0.434 nan 8.370 nan 0.000 0.583 376 A N -0.538 122.352 122.820 0.117 0.000 2.019 376 A HA -0.116 4.203 4.320 -0.001 0.000 0.219 376 A C 2.015 179.668 177.584 0.115 0.000 1.164 376 A CA 1.623 53.742 52.037 0.137 0.000 0.644 376 A CB -0.926 18.125 19.000 0.085 0.000 0.805 376 A HN 0.429 nan 8.150 nan 0.000 0.449 377 S N -1.740 114.011 115.700 0.084 0.000 2.562 377 S HA 0.326 4.796 4.470 -0.001 0.000 0.221 377 S C 1.469 176.119 174.600 0.083 0.000 0.975 377 S CA 0.846 59.085 58.200 0.065 0.000 0.918 377 S CB -0.003 63.221 63.200 0.039 0.000 0.772 377 S HN 1.616 nan 8.310 nan 0.000 0.531 378 G N 1.969 110.851 108.800 0.136 0.000 2.159 378 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.256 378 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.256 378 G C 0.035 175.031 174.900 0.160 0.000 0.977 378 G CA 0.315 45.508 45.100 0.155 0.000 0.652 378 G HN 0.527 nan 8.290 nan 0.000 0.531 379 K N 0.759 121.206 120.400 0.077 0.000 2.298 379 K HA 0.447 4.767 4.320 -0.001 0.000 0.280 379 K C 0.804 177.345 176.600 -0.099 0.000 1.032 379 K CA -0.754 55.543 56.287 0.017 0.000 0.958 379 K CB 0.316 32.805 32.500 -0.017 0.000 0.978 379 K HN 0.279 nan 8.250 nan 0.000 0.472 380 R N 2.230 122.620 120.500 -0.183 0.000 2.449 380 R HA 0.073 4.413 4.340 -0.001 0.000 0.296 380 R C -0.465 175.563 176.300 -0.453 0.000 1.047 380 R CA -0.175 55.627 56.100 -0.497 0.000 1.018 380 R CB 0.878 30.927 30.300 -0.418 0.000 0.962 380 R HN 0.367 nan 8.270 nan 0.000 0.428 381 V N 5.210 124.812 119.914 -0.519 0.000 2.588 381 V HA 0.384 4.504 4.120 -0.001 0.000 0.304 381 V C -1.357 174.550 176.094 -0.312 0.000 1.042 381 V CA -0.802 61.296 62.300 -0.337 0.000 0.877 381 V CB 1.312 33.009 31.823 -0.210 0.000 0.996 381 V HN 0.593 nan 8.190 nan 0.000 0.425 382 Y N 7.321 127.593 120.300 -0.046 0.000 2.299 382 Y HA 0.692 5.242 4.550 -0.001 0.000 0.326 382 Y C 0.059 175.997 175.900 0.063 0.000 1.164 382 Y CA 0.097 58.178 58.100 -0.032 0.000 1.234 382 Y CB 1.310 39.714 38.460 -0.093 0.000 1.219 382 Y HN 0.824 nan 8.280 nan 0.000 0.497 383 Y N 0.529 120.871 120.300 0.071 0.000 2.625 383 Y HA 0.684 5.233 4.550 -0.001 0.000 0.338 383 Y C -2.175 173.769 175.900 0.074 0.000 1.123 383 Y CA -2.081 56.041 58.100 0.036 0.000 1.046 383 Y CB 0.694 39.142 38.460 -0.021 0.000 1.299 383 Y HN 0.452 nan 8.280 nan 0.000 0.464 384 L N 2.048 123.319 121.223 0.079 0.000 2.289 384 L HA 0.774 5.113 4.340 -0.001 0.000 0.285 384 L C -0.046 177.003 176.870 0.299 0.000 1.049 384 L CA 0.462 55.351 54.840 0.082 0.000 0.804 384 L CB 1.356 43.507 42.059 0.153 0.000 1.195 384 L HN 1.051 nan 8.230 nan 0.000 0.428 385 T N 4.279 118.952 114.554 0.199 0.000 2.654 385 T HA 0.874 5.223 4.350 -0.001 0.000 0.289 385 T C -1.179 173.584 174.700 0.105 0.000 1.062 385 T CA -0.460 61.819 62.100 0.299 0.000 1.041 385 T CB 1.107 70.151 68.868 0.293 0.000 1.417 385 T HN 0.891 nan 8.240 nan 0.000 0.510 386 R N 0.208 120.715 120.500 0.012 0.000 2.752 386 R HA 0.433 4.773 4.340 -0.001 0.000 0.277 386 R C -1.705 174.404 176.300 -0.318 0.000 1.024 386 R CA -0.995 55.004 56.100 -0.169 0.000 0.866 386 R CB 0.221 30.346 30.300 -0.292 0.000 1.278 386 R HN 0.515 nan 8.270 nan 0.000 0.473 387 D N 1.866 122.091 120.400 -0.292 0.000 2.371 387 D HA 0.093 4.732 4.640 -0.001 0.000 0.256 387 D C -1.387 174.574 176.300 -0.566 0.000 1.193 387 D CA -1.593 52.205 54.000 -0.337 0.000 0.881 387 D CB 1.354 42.039 40.800 -0.191 0.000 1.143 387 D HN 0.347 nan 8.370 nan 0.000 0.473 388 P HA -0.021 nan 4.420 nan 0.000 0.245 388 P C 1.128 178.139 177.300 -0.481 0.000 1.212 388 P CA 0.166 62.651 63.100 -1.025 0.000 0.774 388 P CB 0.344 31.308 31.700 -1.227 0.000 0.999 389 T N -0.082 114.291 114.554 -0.301 0.000 2.652 389 T HA -0.121 4.229 4.350 -0.001 0.000 0.267 389 T C 1.804 176.449 174.700 -0.092 0.000 1.039 389 T CA 2.305 64.320 62.100 -0.143 0.000 1.153 389 T CB -0.956 67.868 68.868 -0.074 0.000 0.863 389 T HN 0.212 nan 8.240 nan 0.000 0.428 390 T N 1.957 116.456 114.554 -0.091 0.000 2.777 390 T HA -0.024 4.325 4.350 -0.001 0.000 0.266 390 T C -0.611 174.051 174.700 -0.063 0.000 1.040 390 T CA 0.962 63.035 62.100 -0.045 0.000 1.141 390 T CB -1.058 67.811 68.868 0.002 0.000 0.868 390 T HN 0.316 nan 8.240 nan 0.000 0.444 391 P HA 0.022 nan 4.420 nan 0.000 0.216 391 P C 1.454 178.792 177.300 0.063 0.000 1.150 391 P CA 0.890 63.988 63.100 -0.002 0.000 0.837 391 P CB -0.134 31.522 31.700 -0.074 0.000 0.786 392 L N -1.492 119.725 121.223 -0.009 0.000 2.109 392 L HA -0.085 4.255 4.340 -0.001 0.000 0.207 392 L C 2.431 179.345 176.870 0.073 0.000 1.086 392 L CA 1.289 56.152 54.840 0.039 0.000 0.760 392 L CB -1.084 40.960 42.059 -0.025 0.000 0.910 392 L HN -0.057 nan 8.230 nan 0.000 0.437 393 A N 0.398 123.248 122.820 0.049 0.000 1.902 393 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 393 A C 2.374 180.030 177.584 0.120 0.000 1.181 393 A CA 1.404 53.489 52.037 0.081 0.000 0.623 393 A CB -0.428 18.597 19.000 0.042 0.000 0.818 393 A HN 0.318 nan 8.150 nan 0.000 0.443 394 R N -0.541 120.002 120.500 0.071 0.000 2.115 394 R HA -0.017 4.323 4.340 -0.001 0.000 0.230 394 R C 2.423 178.877 176.300 0.257 0.000 1.111 394 R CA 1.031 57.189 56.100 0.097 0.000 0.976 394 R CB -0.427 29.869 30.300 -0.007 0.000 0.870 394 R HN 0.510 nan 8.270 nan 0.000 0.445 395 A N 1.468 124.466 122.820 0.297 0.000 1.902 395 A HA -0.091 4.229 4.320 -0.001 0.000 0.217 395 A C 2.393 180.228 177.584 0.417 0.000 1.181 395 A CA 1.583 53.922 52.037 0.504 0.000 0.623 395 A CB -0.559 18.762 19.000 0.535 0.000 0.818 395 A HN 0.373 nan 8.150 nan 0.000 0.443 396 A N -1.231 121.735 122.820 0.242 0.000 1.902 396 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 396 A C 2.109 179.801 177.584 0.180 0.000 1.181 396 A CA 1.458 53.586 52.037 0.152 0.000 0.623 396 A CB -0.876 18.196 19.000 0.121 0.000 0.818 396 A HN 0.830 nan 8.150 nan 0.000 0.443 397 W N 1.034 122.374 121.300 0.067 0.000 2.355 397 W HA -0.143 4.517 4.660 -0.001 0.000 0.309 397 W C 1.611 178.171 176.519 0.069 0.000 1.206 397 W CA 1.923 59.294 57.345 0.043 0.000 1.284 397 W CB -0.391 29.076 29.460 0.013 0.000 1.145 397 W HN 0.555 nan 8.180 nan 0.000 0.502 398 E N -0.714 119.749 120.200 0.438 0.000 2.478 398 E HA -0.117 4.232 4.350 -0.001 0.000 0.198 398 E C 1.889 178.637 176.600 0.246 0.000 1.046 398 E CA 1.203 57.813 56.400 0.350 0.000 0.870 398 E CB -0.106 29.843 29.700 0.414 0.000 0.818 398 E HN 0.081 nan 8.360 nan 0.000 0.527 399 T N 0.119 114.811 114.554 0.229 0.000 2.857 399 T HA -0.025 4.325 4.350 -0.001 0.000 0.266 399 T C 1.696 176.386 174.700 -0.017 0.000 1.048 399 T CA 1.214 63.396 62.100 0.136 0.000 1.139 399 T CB 0.119 69.077 68.868 0.150 0.000 0.874 399 T HN 0.238 nan 8.240 nan 0.000 0.455 400 A N 0.039 122.813 122.820 -0.077 0.000 2.382 400 A HA 0.375 4.695 4.320 -0.001 0.000 0.228 400 A C 0.825 178.318 177.584 -0.151 0.000 1.217 400 A CA -0.152 51.803 52.037 -0.137 0.000 0.923 400 A CB 0.534 19.419 19.000 -0.191 0.000 0.979 400 A HN 0.077 nan 8.150 nan 0.000 0.515 401 R N 0.428 120.848 120.500 -0.134 0.000 2.575 401 R HA 0.392 4.731 4.340 -0.001 0.000 0.293 401 R C -1.698 174.615 176.300 0.022 0.000 0.983 401 R CA -0.526 55.557 56.100 -0.028 0.000 0.887 401 R CB 1.047 31.334 30.300 -0.023 0.000 1.184 401 R HN 0.433 nan 8.270 nan 0.000 0.445 402 H N 0.600 119.741 119.070 0.119 0.000 2.646 402 H HA 0.240 4.795 4.556 -0.001 0.000 0.325 402 H C 0.467 175.870 175.328 0.125 0.000 1.075 402 H CA 0.352 56.473 56.048 0.122 0.000 1.421 402 H CB 1.042 30.849 29.762 0.076 0.000 1.461 402 H HN 0.533 nan 8.280 nan 0.000 0.525 403 T N 0.051 114.724 114.554 0.199 0.000 2.924 403 T HA 0.291 4.640 4.350 -0.001 0.000 0.291 403 T C -1.761 172.960 174.700 0.036 0.000 1.045 403 T CA -2.139 60.032 62.100 0.119 0.000 1.015 403 T CB 1.744 70.673 68.868 0.102 0.000 1.103 403 T HN 0.235 nan 8.240 nan 0.000 0.496 404 P HA 0.102 nan 4.420 nan 0.000 0.218 404 P C -0.210 177.037 177.300 -0.087 0.000 1.149 404 P CA 0.437 63.482 63.100 -0.091 0.000 0.817 404 P CB 0.157 31.803 31.700 -0.090 0.000 0.785 405 V N 1.237 121.107 119.914 -0.074 0.000 2.407 405 V HA 0.209 4.329 4.120 -0.001 0.000 0.291 405 V C -0.270 175.757 176.094 -0.112 0.000 1.018 405 V CA -0.837 61.405 62.300 -0.098 0.000 0.842 405 V CB 1.457 33.223 31.823 -0.096 0.000 0.996 405 V HN 0.004 nan 8.190 nan 0.000 0.426 406 N N 3.198 121.783 118.700 -0.193 0.000 2.482 406 N HA 0.064 4.804 4.740 -0.001 0.000 0.242 406 N C 1.377 176.628 175.510 -0.431 0.000 1.100 406 N CA 0.183 53.036 53.050 -0.327 0.000 0.946 406 N CB 1.728 39.873 38.487 -0.569 0.000 1.227 406 N HN 0.819 nan 8.380 nan 0.000 0.508 407 S N 2.454 118.028 115.700 -0.211 0.000 2.402 407 S HA -0.106 4.364 4.470 -0.001 0.000 0.229 407 S C 1.846 176.376 174.600 -0.117 0.000 1.021 407 S CA 0.173 58.296 58.200 -0.127 0.000 0.974 407 S CB -0.376 62.809 63.200 -0.025 0.000 0.800 407 S HN 0.791 nan 8.310 nan 0.000 0.484 408 W N 1.451 122.657 121.300 -0.157 0.000 2.363 408 W HA -0.041 4.618 4.660 -0.001 0.000 0.296 408 W C 1.706 178.139 176.519 -0.143 0.000 1.212 408 W CA 0.574 57.789 57.345 -0.217 0.000 1.260 408 W CB -1.090 27.849 29.460 -0.868 0.000 1.131 408 W HN 0.381 nan 8.180 nan 0.000 0.530 409 L N 2.903 123.434 121.223 -1.154 0.000 2.056 409 L HA 0.175 4.515 4.340 -0.001 0.000 0.207 409 L C 2.572 179.232 176.870 -0.350 0.000 1.078 409 L CA 2.738 57.009 54.840 -0.948 0.000 0.749 409 L CB -1.356 39.924 42.059 -1.299 0.000 0.901 409 L HN 0.030 nan 8.230 nan 0.000 0.433 410 G N -0.717 107.904 108.800 -0.299 0.000 2.402 410 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.216 410 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.216 410 G C 1.438 176.337 174.900 -0.002 0.000 1.162 410 G CA 0.630 45.642 45.100 -0.148 0.000 0.777 410 G HN 0.437 nan 8.290 nan 0.000 0.539 411 N N 0.587 119.346 118.700 0.098 0.000 2.188 411 N HA -0.012 4.728 4.740 -0.001 0.000 0.184 411 N C 2.201 177.855 175.510 0.240 0.000 1.018 411 N CA 0.570 53.806 53.050 0.310 0.000 0.858 411 N CB -0.113 38.642 38.487 0.447 0.000 0.989 411 N HN 0.323 nan 8.380 nan 0.000 0.426 412 I N 0.904 121.574 120.570 0.167 0.000 2.226 412 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 412 I C 1.987 178.163 176.117 0.098 0.000 1.100 412 I CA 0.860 62.244 61.300 0.140 0.000 1.374 412 I CB -0.102 38.046 38.000 0.247 0.000 1.057 412 I HN 0.033 nan 8.210 nan 0.000 0.413 413 I N -0.095 120.533 120.570 0.098 0.000 2.179 413 I HA -0.304 3.866 4.170 -0.001 0.000 0.242 413 I C 2.476 178.695 176.117 0.170 0.000 1.088 413 I CA 1.221 62.607 61.300 0.143 0.000 1.357 413 I CB -0.236 37.831 38.000 0.111 0.000 1.051 413 I HN 0.207 nan 8.210 nan 0.000 0.409 414 M N -0.697 118.915 119.600 0.021 0.000 2.254 414 M HA -0.112 4.367 4.480 -0.001 0.000 0.265 414 M C 1.030 177.088 176.300 -0.404 0.000 1.066 414 M CA 1.724 56.912 55.300 -0.187 0.000 1.123 414 M CB -0.720 31.634 32.600 -0.410 0.000 1.388 414 M HN 0.207 nan 8.290 nan 0.000 0.425 415 Y N -0.748 119.552 120.300 -0.001 0.000 2.720 415 Y HA 0.491 5.041 4.550 -0.001 0.000 0.268 415 Y C 1.768 177.424 175.900 -0.406 0.000 1.142 415 Y CA -0.352 57.637 58.100 -0.185 0.000 1.193 415 Y CB -0.921 37.414 38.460 -0.209 0.000 1.176 415 Y HN 0.146 nan 8.280 nan 0.000 0.542 416 A N 0.946 123.595 122.820 -0.284 0.000 1.958 416 A HA -0.181 4.138 4.320 -0.001 0.000 0.221 416 A C -0.443 176.900 177.584 -0.402 0.000 1.178 416 A CA 1.814 53.664 52.037 -0.311 0.000 0.642 416 A CB -1.335 17.518 19.000 -0.245 0.000 0.816 416 A HN 0.292 nan 8.150 nan 0.000 0.453 417 P HA 0.022 nan 4.420 nan 0.000 0.233 417 P C 0.674 177.733 177.300 -0.401 0.000 1.167 417 P CA 1.207 64.050 63.100 -0.428 0.000 0.770 417 P CB -0.267 31.188 31.700 -0.408 0.000 0.837 418 T N -2.724 111.606 114.554 -0.373 0.000 2.868 418 T HA 0.126 4.475 4.350 -0.001 0.000 0.292 418 T C 1.105 175.416 174.700 -0.650 0.000 1.028 418 T CA -0.635 61.214 62.100 -0.418 0.000 1.059 418 T CB 0.599 69.056 68.868 -0.684 0.000 0.991 418 T HN -0.180 nan 8.240 nan 0.000 0.531 419 L N 1.853 122.617 121.223 -0.764 0.000 2.017 419 L HA 0.035 4.375 4.340 -0.001 0.000 0.208 419 L C 2.445 178.998 176.870 -0.529 0.000 1.073 419 L CA 1.685 56.006 54.840 -0.865 0.000 0.745 419 L CB -0.893 40.574 42.059 -0.987 0.000 0.894 419 L HN 0.920 nan 8.230 nan 0.000 0.432 420 W N -0.661 120.445 121.300 -0.324 0.000 2.388 420 W HA 0.034 4.693 4.660 -0.001 0.000 0.294 420 W C 2.015 178.411 176.519 -0.206 0.000 1.212 420 W CA 0.827 58.019 57.345 -0.255 0.000 1.271 420 W CB -1.450 27.897 29.460 -0.189 0.000 1.126 420 W HN 0.323 nan 8.180 nan 0.000 0.535 421 A N 1.873 124.203 122.820 -0.817 0.000 1.930 421 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 421 A C 2.259 179.687 177.584 -0.260 0.000 1.175 421 A CA 1.722 53.442 52.037 -0.527 0.000 0.627 421 A CB -0.695 17.823 19.000 -0.804 0.000 0.815 421 A HN 0.322 nan 8.150 nan 0.000 0.443 422 R N -0.923 119.344 120.500 -0.388 0.000 2.057 422 R HA 0.080 4.420 4.340 -0.001 0.000 0.229 422 R C 2.205 178.361 176.300 -0.241 0.000 1.136 422 R CA 1.617 57.516 56.100 -0.335 0.000 0.952 422 R CB -0.367 29.575 30.300 -0.597 0.000 0.848 422 R HN 0.487 nan 8.270 nan 0.000 0.430 423 M N -0.124 119.185 119.600 -0.486 0.000 2.349 423 M HA 0.005 4.484 4.480 -0.001 0.000 0.266 423 M C 1.807 178.068 176.300 -0.065 0.000 1.076 423 M CA 1.421 56.550 55.300 -0.284 0.000 1.126 423 M CB 0.132 32.483 32.600 -0.414 0.000 1.392 423 M HN 0.144 nan 8.290 nan 0.000 0.440 424 I N -0.908 119.466 120.570 -0.326 0.000 3.196 424 I HA -0.068 4.101 4.170 -0.001 0.000 0.248 424 I C 2.063 177.985 176.117 -0.325 0.000 1.105 424 I CA 0.195 61.021 61.300 -0.790 0.000 1.482 424 I CB -0.270 37.243 38.000 -0.810 0.000 1.400 424 I HN 0.100 nan 8.210 nan 0.000 0.464 425 L N 0.512 121.734 121.223 -0.001 0.000 1.989 425 L HA -0.244 4.096 4.340 -0.001 0.000 0.211 425 L C 2.722 179.870 176.870 0.464 0.000 1.071 425 L CA 1.795 56.832 54.840 0.328 0.000 0.749 425 L CB -0.516 41.791 42.059 0.413 0.000 0.890 425 L HN 0.302 nan 8.230 nan 0.000 0.431 426 M N -0.884 118.954 119.600 0.398 0.000 2.080 426 M HA -0.189 4.290 4.480 -0.001 0.000 0.260 426 M C 2.331 179.103 176.300 0.786 0.000 1.068 426 M CA 2.158 57.796 55.300 0.564 0.000 1.109 426 M CB -0.651 32.092 32.600 0.239 0.000 1.342 426 M HN 0.296 nan 8.290 nan 0.000 0.405 427 T N -1.305 113.679 114.554 0.716 0.000 2.643 427 T HA -0.231 4.119 4.350 -0.001 0.000 0.264 427 T C 1.641 176.603 174.700 0.437 0.000 1.045 427 T CA 1.953 64.439 62.100 0.644 0.000 1.155 427 T CB -0.631 68.658 68.868 0.700 0.000 0.863 427 T HN 0.449 nan 8.240 nan 0.000 0.420 428 H N 0.669 119.871 119.070 0.220 0.000 2.253 428 H HA -0.067 4.489 4.556 -0.001 0.000 0.296 428 H C 1.863 177.044 175.328 -0.244 0.000 1.074 428 H CA 1.766 57.810 56.048 -0.007 0.000 1.263 428 H CB -0.657 28.925 29.762 -0.299 0.000 1.363 428 H HN 0.330 nan 8.280 nan 0.000 0.489 429 F N -0.949 118.926 119.950 -0.126 0.000 2.186 429 F HA -0.071 4.456 4.527 -0.001 0.000 0.299 429 F C 2.209 177.816 175.800 -0.321 0.000 1.090 429 F CA 0.776 58.473 58.000 -0.506 0.000 1.307 429 F CB -0.695 37.665 39.000 -1.067 0.000 1.019 429 F HN 0.154 nan 8.300 nan 0.000 0.489 430 F N -0.531 119.482 119.950 0.104 0.000 2.234 430 F HA -0.177 4.349 4.527 -0.001 0.000 0.299 430 F C 2.733 178.542 175.800 0.014 0.000 1.087 430 F CA 1.470 59.552 58.000 0.137 0.000 1.340 430 F CB -0.875 38.312 39.000 0.312 0.000 1.031 430 F HN -0.096 nan 8.300 nan 0.000 0.500 431 S N 0.393 116.152 115.700 0.098 0.000 2.359 431 S HA -0.188 4.281 4.470 -0.001 0.000 0.224 431 S C 2.149 176.698 174.600 -0.086 0.000 1.035 431 S CA 1.519 59.711 58.200 -0.014 0.000 1.018 431 S CB -0.452 62.724 63.200 -0.039 0.000 0.876 431 S HN 0.331 nan 8.310 nan 0.000 0.448 432 I N 1.296 121.748 120.570 -0.197 0.000 2.179 432 I HA -0.172 3.998 4.170 -0.001 0.000 0.242 432 I C 2.213 178.266 176.117 -0.106 0.000 1.088 432 I CA 1.110 62.291 61.300 -0.199 0.000 1.357 432 I CB -0.406 37.398 38.000 -0.325 0.000 1.051 432 I HN 0.311 nan 8.210 nan 0.000 0.409 433 L N 0.176 121.334 121.223 -0.109 0.000 2.079 433 L HA -0.240 4.100 4.340 -0.001 0.000 0.210 433 L C 2.541 179.404 176.870 -0.012 0.000 1.081 433 L CA 1.302 56.102 54.840 -0.066 0.000 0.752 433 L CB -0.588 41.383 42.059 -0.148 0.000 0.896 433 L HN 0.298 nan 8.230 nan 0.000 0.433 434 L N -0.283 120.945 121.223 0.009 0.000 2.005 434 L HA -0.182 4.157 4.340 -0.001 0.000 0.207 434 L C 2.924 179.799 176.870 0.008 0.000 1.072 434 L CA 1.280 56.139 54.840 0.031 0.000 0.744 434 L CB -0.675 41.409 42.059 0.042 0.000 0.895 434 L HN 0.223 nan 8.230 nan 0.000 0.433 435 A N -0.860 121.953 122.820 -0.011 0.000 1.948 435 A HA -0.227 4.093 4.320 -0.001 0.000 0.220 435 A C 2.091 179.673 177.584 -0.004 0.000 1.177 435 A CA 1.526 53.555 52.037 -0.014 0.000 0.636 435 A CB -0.319 18.662 19.000 -0.031 0.000 0.815 435 A HN 0.467 nan 8.150 nan 0.000 0.449 436 Q N -0.972 118.828 119.800 -0.001 0.000 2.360 436 Q HA 0.079 4.419 4.340 -0.001 0.000 0.202 436 Q C -0.417 175.597 176.000 0.023 0.000 0.915 436 Q CA 0.438 56.250 55.803 0.015 0.000 0.943 436 Q CB 0.052 28.805 28.738 0.025 0.000 1.064 436 Q HN 0.786 nan 8.270 nan 0.000 0.511 437 E N 0.771 120.984 120.200 0.022 0.000 2.297 437 E HA -0.234 4.115 4.350 -0.001 0.000 0.228 437 E C -0.501 176.121 176.600 0.037 0.000 1.213 437 E CA 0.278 56.696 56.400 0.030 0.000 0.712 437 E CB -1.135 28.581 29.700 0.027 0.000 1.202 437 E HN 0.443 nan 8.360 nan 0.000 0.376 438 Q N -0.208 119.615 119.800 0.037 0.000 2.233 438 Q HA 0.238 4.578 4.340 -0.001 0.000 0.340 438 Q C 1.364 177.392 176.000 0.046 0.000 0.899 438 Q CA -0.250 55.581 55.803 0.047 0.000 1.139 438 Q CB 0.533 29.307 28.738 0.059 0.000 1.273 438 Q HN 0.357 nan 8.270 nan 0.000 0.431 439 L N 1.078 122.330 121.223 0.048 0.000 2.093 439 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 439 L C 2.090 179.005 176.870 0.075 0.000 1.085 439 L CA 1.085 55.959 54.840 0.056 0.000 0.755 439 L CB 0.014 42.136 42.059 0.105 0.000 0.904 439 L HN 0.384 nan 8.230 nan 0.000 0.435 440 E N 0.843 121.086 120.200 0.072 0.000 2.419 440 E HA -0.046 4.303 4.350 -0.001 0.000 0.190 440 E C 0.290 176.930 176.600 0.066 0.000 1.040 440 E CA -0.063 56.380 56.400 0.072 0.000 0.900 440 E CB -0.117 29.622 29.700 0.064 0.000 1.054 440 E HN 0.239 nan 8.360 nan 0.000 0.462 441 K N 1.539 121.980 120.400 0.068 0.000 2.285 441 K HA 0.406 4.725 4.320 -0.001 0.000 0.286 441 K C -0.447 176.196 176.600 0.073 0.000 1.072 441 K CA -0.298 56.029 56.287 0.068 0.000 0.913 441 K CB 0.814 33.357 32.500 0.071 0.000 1.067 441 K HN 0.085 nan 8.250 nan 0.000 0.479 442 A N 5.409 128.269 122.820 0.068 0.000 2.511 442 A HA 0.250 4.569 4.320 -0.001 0.000 0.242 442 A C -0.432 177.186 177.584 0.057 0.000 1.069 442 A CA 0.026 52.103 52.037 0.067 0.000 0.763 442 A CB 0.034 19.079 19.000 0.075 0.000 1.001 442 A HN 0.776 nan 8.150 nan 0.000 0.498 443 L N 2.155 123.397 121.223 0.032 0.000 2.370 443 L HA 0.406 4.746 4.340 -0.001 0.000 0.266 443 L C -0.834 176.013 176.870 -0.039 0.000 1.002 443 L CA -1.031 53.806 54.840 -0.005 0.000 0.818 443 L CB 2.122 44.159 42.059 -0.038 0.000 1.325 443 L HN 0.586 nan 8.230 nan 0.000 0.418 444 D N 1.416 121.788 120.400 -0.046 0.000 2.210 444 D HA 0.483 5.123 4.640 -0.001 0.000 0.249 444 D C -0.469 175.756 176.300 -0.124 0.000 1.078 444 D CA -0.033 53.943 54.000 -0.041 0.000 0.875 444 D CB 1.815 42.608 40.800 -0.012 0.000 1.175 444 D HN 0.600 nan 8.370 nan 0.000 0.440 445 C N 0.467 119.694 119.300 -0.123 0.000 3.285 445 C HA 0.712 5.171 4.460 -0.001 0.000 0.320 445 C C -0.971 173.955 174.990 -0.107 0.000 1.411 445 C CA -0.838 58.074 59.018 -0.177 0.000 1.429 445 C CB 1.530 29.107 27.740 -0.271 0.000 1.812 445 C HN 0.521 nan 8.230 nan 0.000 0.454 446 Q N 0.271 120.004 119.800 -0.112 0.000 2.375 446 Q HA 0.759 5.098 4.340 -0.001 0.000 0.271 446 Q C -1.457 174.483 176.000 -0.100 0.000 1.074 446 Q CA -0.476 55.290 55.803 -0.061 0.000 0.808 446 Q CB 2.639 31.348 28.738 -0.048 0.000 1.327 446 Q HN 0.721 nan 8.270 nan 0.000 0.441 447 I N 2.694 123.211 120.570 -0.087 0.000 2.468 447 I HA 0.195 4.365 4.170 -0.001 0.000 0.284 447 I C -1.170 174.937 176.117 -0.016 0.000 1.038 447 I CA -0.715 60.442 61.300 -0.238 0.000 1.083 447 I CB 1.058 38.616 38.000 -0.737 0.000 1.223 447 I HN 0.670 nan 8.210 nan 0.000 0.443 448 Y N 4.979 125.304 120.300 0.041 0.000 3.689 448 Y HA -0.250 4.300 4.550 -0.001 0.000 0.221 448 Y C 1.436 177.288 175.900 -0.079 0.000 1.247 448 Y CA 1.109 59.218 58.100 0.016 0.000 1.671 448 Y CB -1.940 36.536 38.460 0.027 0.000 1.521 448 Y HN 0.969 nan 8.280 nan 0.000 0.632 449 G N -1.993 106.875 108.800 0.113 0.000 2.284 449 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.247 449 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.247 449 G C 0.537 175.441 174.900 0.006 0.000 1.012 449 G CA 0.284 45.409 45.100 0.042 0.000 0.618 449 G HN 1.612 nan 8.290 nan 0.000 0.521 450 A N -0.286 122.540 122.820 0.010 0.000 2.354 450 A HA 0.601 4.920 4.320 -0.001 0.000 0.269 450 A C 0.753 178.148 177.584 -0.315 0.000 1.109 450 A CA 0.558 52.438 52.037 -0.262 0.000 0.800 450 A CB 0.735 19.464 19.000 -0.453 0.000 1.045 450 A HN 1.597 nan 8.150 nan 0.000 0.489 451 C N 2.700 121.730 119.300 -0.450 0.000 2.369 451 C HA 0.753 5.213 4.460 -0.001 0.000 0.358 451 C C -0.899 173.720 174.990 -0.618 0.000 1.274 451 C CA -0.455 58.389 59.018 -0.290 0.000 1.935 451 C CB -1.304 26.415 27.740 -0.036 0.000 2.431 451 C HN 0.659 nan 8.230 nan 0.000 0.545 452 Y N 2.748 122.875 120.300 -0.289 0.000 2.499 452 Y HA 0.459 5.009 4.550 -0.001 0.000 0.347 452 Y C 0.363 176.171 175.900 -0.154 0.000 0.987 452 Y CA -0.410 57.483 58.100 -0.346 0.000 1.044 452 Y CB 1.880 40.052 38.460 -0.479 0.000 1.245 452 Y HN 0.584 nan 8.280 nan 0.000 0.461 453 S N 3.749 119.479 115.700 0.050 0.000 2.422 453 S HA 0.705 5.174 4.470 -0.001 0.000 0.308 453 S C -0.971 173.693 174.600 0.106 0.000 1.097 453 S CA -0.323 57.946 58.200 0.115 0.000 1.099 453 S CB -0.376 62.939 63.200 0.191 0.000 0.976 453 S HN 0.520 nan 8.310 nan 0.000 0.471 454 I N 3.839 124.452 120.570 0.071 0.000 2.582 454 I HA 0.379 4.548 4.170 -0.001 0.000 0.292 454 I C -0.389 175.765 176.117 0.061 0.000 1.066 454 I CA -0.684 60.666 61.300 0.082 0.000 1.053 454 I CB 2.324 40.367 38.000 0.073 0.000 1.241 454 I HN 0.525 nan 8.210 nan 0.000 0.421 455 E N 6.526 126.777 120.200 0.084 0.000 2.174 455 E HA 0.218 4.567 4.350 -0.001 0.000 0.282 455 E C -1.909 174.757 176.600 0.109 0.000 0.992 455 E CA -1.611 54.841 56.400 0.086 0.000 0.803 455 E CB 1.387 31.138 29.700 0.085 0.000 1.090 455 E HN 0.305 nan 8.360 nan 0.000 0.396 456 P HA -0.208 nan 4.420 nan 0.000 0.217 456 P C 1.028 178.496 177.300 0.281 0.000 1.151 456 P CA 1.198 64.397 63.100 0.164 0.000 0.849 456 P CB 0.204 31.917 31.700 0.022 0.000 0.787 457 L N -0.951 120.402 121.223 0.216 0.000 2.353 457 L HA -0.147 4.192 4.340 -0.001 0.000 0.220 457 L C 1.326 178.296 176.870 0.167 0.000 1.133 457 L CA 1.187 56.160 54.840 0.223 0.000 0.798 457 L CB -0.689 41.462 42.059 0.153 0.000 0.922 457 L HN 0.015 nan 8.230 nan 0.000 0.445 458 D N -0.434 120.053 120.400 0.144 0.000 2.339 458 D HA 0.023 4.663 4.640 -0.001 0.000 0.217 458 D C 2.265 178.632 176.300 0.111 0.000 1.050 458 D CA 0.243 54.300 54.000 0.095 0.000 0.856 458 D CB 0.355 41.198 40.800 0.072 0.000 0.922 458 D HN 0.292 nan 8.370 nan 0.000 0.518 459 L N 1.036 122.372 121.223 0.189 0.000 2.043 459 L HA -0.174 4.166 4.340 -0.001 0.000 0.212 459 L C -0.478 176.502 176.870 0.184 0.000 1.075 459 L CA 1.610 56.579 54.840 0.215 0.000 0.752 459 L CB -1.400 40.862 42.059 0.339 0.000 0.891 459 L HN 0.053 nan 8.230 nan 0.000 0.432 460 P HA -0.201 nan 4.420 nan 0.000 0.214 460 P C 1.406 178.765 177.300 0.098 0.000 1.163 460 P CA 1.368 64.503 63.100 0.059 0.000 0.883 460 P CB 0.028 31.603 31.700 -0.208 0.000 0.788 461 Q N -0.834 118.958 119.800 -0.013 0.000 2.084 461 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 461 Q C 2.226 178.207 176.000 -0.032 0.000 0.978 461 Q CA 1.273 57.052 55.803 -0.040 0.000 0.844 461 Q CB -0.810 27.889 28.738 -0.066 0.000 0.898 461 Q HN 0.249 nan 8.270 nan 0.000 0.426 462 I N 0.481 121.037 120.570 -0.025 0.000 2.127 462 I HA -0.304 3.866 4.170 -0.001 0.000 0.241 462 I C 2.200 178.297 176.117 -0.032 0.000 1.075 462 I CA 1.332 62.581 61.300 -0.086 0.000 1.334 462 I CB -0.344 37.649 38.000 -0.012 0.000 1.040 462 I HN 0.214 nan 8.210 nan 0.000 0.405 463 I N 0.360 120.982 120.570 0.087 0.000 2.226 463 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 463 I C 2.650 178.746 176.117 -0.036 0.000 1.100 463 I CA 1.412 62.770 61.300 0.095 0.000 1.374 463 I CB -0.469 37.604 38.000 0.121 0.000 1.057 463 I HN 0.328 nan 8.210 nan 0.000 0.413 464 E N 1.153 121.362 120.200 0.016 0.000 2.058 464 E HA -0.251 4.099 4.350 -0.001 0.000 0.194 464 E C 2.409 178.974 176.600 -0.057 0.000 0.997 464 E CA 1.178 57.572 56.400 -0.010 0.000 0.801 464 E CB 0.091 29.860 29.700 0.115 0.000 0.746 464 E HN 0.280 nan 8.360 nan 0.000 0.450 465 R N 0.145 120.598 120.500 -0.078 0.000 2.096 465 R HA -0.095 4.245 4.340 -0.001 0.000 0.235 465 R C 2.475 178.689 176.300 -0.143 0.000 1.127 465 R CA 0.901 56.932 56.100 -0.115 0.000 0.968 465 R CB -0.484 29.717 30.300 -0.164 0.000 0.861 465 R HN 0.358 nan 8.270 nan 0.000 0.440 466 L N -0.954 120.151 121.223 -0.196 0.000 2.127 466 L HA -0.052 4.288 4.340 -0.001 0.000 0.203 466 L C 1.960 178.550 176.870 -0.467 0.000 1.080 466 L CA 1.002 55.644 54.840 -0.330 0.000 0.768 466 L CB -0.369 41.438 42.059 -0.420 0.000 0.924 466 L HN 0.238 nan 8.230 nan 0.000 0.444 467 H N -0.744 118.254 119.070 -0.121 0.000 2.885 467 H HA 0.322 4.878 4.556 -0.001 0.000 0.260 467 H C 1.003 176.239 175.328 -0.154 0.000 0.985 467 H CA 0.805 56.766 56.048 -0.145 0.000 1.210 467 H CB 1.051 30.701 29.762 -0.188 0.000 1.466 467 H HN 0.302 nan 8.280 nan 0.000 0.493 468 G N 0.835 109.596 108.800 -0.066 0.000 2.712 468 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.683 468 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.683 468 G C 0.569 175.389 174.900 -0.133 0.000 1.320 468 G CA -0.188 44.872 45.100 -0.067 0.000 0.847 468 G HN 0.196 nan 8.290 nan 0.000 0.553 469 L N 1.012 122.220 121.223 -0.025 0.000 2.362 469 L HA -0.044 4.296 4.340 -0.001 0.000 0.219 469 L C 3.183 180.050 176.870 -0.004 0.000 1.134 469 L CA 1.907 56.787 54.840 0.066 0.000 0.807 469 L CB -0.524 41.653 42.059 0.197 0.000 0.927 469 L HN 0.883 nan 8.230 nan 0.000 0.447 470 S N 0.291 115.958 115.700 -0.055 0.000 2.419 470 S HA -0.203 4.267 4.470 -0.001 0.000 0.235 470 S C 2.159 176.676 174.600 -0.139 0.000 1.019 470 S CA 0.898 59.058 58.200 -0.067 0.000 0.982 470 S CB -0.343 62.812 63.200 -0.076 0.000 0.789 470 S HN 0.375 nan 8.310 nan 0.000 0.490 471 A N 0.959 123.617 122.820 -0.270 0.000 1.972 471 A HA 0.124 4.443 4.320 -0.001 0.000 0.219 471 A C 1.648 179.075 177.584 -0.262 0.000 1.169 471 A CA 1.190 53.004 52.037 -0.370 0.000 0.635 471 A CB -0.900 17.780 19.000 -0.533 0.000 0.810 471 A HN 0.582 nan 8.150 nan 0.000 0.446 472 F N 0.337 120.304 119.950 0.029 0.000 2.811 472 F HA 0.096 4.623 4.527 -0.001 0.000 0.301 472 F C 1.649 177.501 175.800 0.086 0.000 1.151 472 F CA 0.616 58.661 58.000 0.075 0.000 1.412 472 F CB -0.062 39.018 39.000 0.133 0.000 1.113 472 F HN 0.268 nan 8.300 nan 0.000 0.579 473 S N -1.480 114.325 115.700 0.175 0.000 3.082 473 S HA 0.313 4.782 4.470 -0.001 0.000 0.253 473 S C -0.132 174.526 174.600 0.095 0.000 0.961 473 S CA -0.455 57.841 58.200 0.160 0.000 1.129 473 S CB -0.740 62.550 63.200 0.151 0.000 1.083 473 S HN 0.016 nan 8.310 nan 0.000 0.605 474 L N 3.239 124.444 121.223 -0.029 0.000 2.426 474 L HA 0.512 4.852 4.340 -0.001 0.000 0.271 474 L C 0.547 177.334 176.870 -0.140 0.000 1.169 474 L CA -0.008 54.700 54.840 -0.221 0.000 0.836 474 L CB 0.199 41.994 42.059 -0.441 0.000 1.112 474 L HN 0.672 nan 8.230 nan 0.000 0.465 475 H N -1.469 117.452 119.070 -0.248 0.000 2.960 475 H HA 0.389 4.944 4.556 -0.001 0.000 0.323 475 H C -0.435 174.804 175.328 -0.149 0.000 1.326 475 H CA -0.992 54.984 56.048 -0.120 0.000 1.124 475 H CB 1.064 30.834 29.762 0.013 0.000 1.853 475 H HN 0.411 nan 8.280 nan 0.000 0.536 476 S N -0.231 115.597 115.700 0.212 0.000 3.527 476 S HA -0.220 4.250 4.470 -0.001 0.000 0.409 476 S C -0.686 173.973 174.600 0.098 0.000 0.900 476 S CA 0.430 58.742 58.200 0.187 0.000 1.320 476 S CB -2.420 60.864 63.200 0.140 0.000 0.915 476 S HN 0.530 nan 8.310 nan 0.000 0.575 477 Y N 1.706 122.061 120.300 0.092 0.000 2.330 477 Y HA 0.344 4.894 4.550 -0.001 0.000 0.341 477 Y C 1.439 177.403 175.900 0.107 0.000 1.278 477 Y CA 0.140 58.293 58.100 0.088 0.000 1.453 477 Y CB 0.368 38.870 38.460 0.069 0.000 1.342 477 Y HN 0.576 nan 8.280 nan 0.000 0.590 478 S N 1.092 116.947 115.700 0.259 0.000 2.579 478 S HA 0.115 4.585 4.470 -0.001 0.000 0.275 478 S C -2.039 172.651 174.600 0.151 0.000 1.345 478 S CA -1.044 57.254 58.200 0.163 0.000 1.031 478 S CB 1.121 64.391 63.200 0.117 0.000 0.892 478 S HN 0.439 nan 8.310 nan 0.000 0.529 479 P HA 0.024 nan 4.420 nan 0.000 0.218 479 P C 1.648 178.994 177.300 0.076 0.000 1.148 479 P CA 1.480 64.633 63.100 0.087 0.000 0.822 479 P CB -0.368 31.373 31.700 0.068 0.000 0.784 480 G N -0.100 108.742 108.800 0.070 0.000 2.404 480 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.215 480 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.215 480 G C 1.664 176.600 174.900 0.060 0.000 1.174 480 G CA 0.692 45.824 45.100 0.053 0.000 0.780 480 G HN 0.231 nan 8.290 nan 0.000 0.537 481 E N 0.849 121.106 120.200 0.095 0.000 2.028 481 E HA -0.052 4.298 4.350 -0.001 0.000 0.191 481 E C 2.467 179.122 176.600 0.092 0.000 0.988 481 E CA 0.801 57.272 56.400 0.118 0.000 0.799 481 E CB -0.471 29.366 29.700 0.227 0.000 0.755 481 E HN 0.469 nan 8.360 nan 0.000 0.447 482 I N 0.879 121.510 120.570 0.100 0.000 2.208 482 I HA -0.302 3.867 4.170 -0.001 0.000 0.245 482 I C 2.116 178.260 176.117 0.045 0.000 1.097 482 I CA 1.195 62.533 61.300 0.062 0.000 1.363 482 I CB -0.442 37.610 38.000 0.086 0.000 1.051 482 I HN 0.197 nan 8.210 nan 0.000 0.413 483 N N 0.649 119.377 118.700 0.047 0.000 2.244 483 N HA -0.179 4.561 4.740 -0.001 0.000 0.183 483 N C 1.939 177.460 175.510 0.019 0.000 1.016 483 N CA 0.987 54.058 53.050 0.034 0.000 0.866 483 N CB -0.245 38.262 38.487 0.034 0.000 0.980 483 N HN 0.368 nan 8.380 nan 0.000 0.430 484 R N 0.885 121.392 120.500 0.012 0.000 2.092 484 R HA -0.023 4.317 4.340 -0.001 0.000 0.231 484 R C 1.895 178.174 176.300 -0.034 0.000 1.119 484 R CA 0.836 56.927 56.100 -0.014 0.000 0.970 484 R CB -0.021 30.264 30.300 -0.025 0.000 0.864 484 R HN -0.065 nan 8.270 nan 0.000 0.440 485 V N 1.086 120.988 119.914 -0.020 0.000 2.244 485 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 485 V C 2.503 178.593 176.094 -0.008 0.000 1.042 485 V CA 1.901 64.183 62.300 -0.030 0.000 1.006 485 V CB -0.833 30.997 31.823 0.012 0.000 0.641 485 V HN 0.548 nan 8.190 nan 0.000 0.446 486 A N -0.241 122.588 122.820 0.015 0.000 1.948 486 A HA -0.257 4.063 4.320 -0.001 0.000 0.220 486 A C 2.464 180.062 177.584 0.023 0.000 1.177 486 A CA 2.532 54.587 52.037 0.030 0.000 0.636 486 A CB -0.739 18.284 19.000 0.037 0.000 0.815 486 A HN 0.527 nan 8.150 nan 0.000 0.449 487 S N -1.465 114.243 115.700 0.012 0.000 2.368 487 S HA -0.187 4.283 4.470 -0.001 0.000 0.224 487 S C 2.040 176.644 174.600 0.007 0.000 1.029 487 S CA 1.114 59.321 58.200 0.012 0.000 0.988 487 S CB -0.858 62.346 63.200 0.007 0.000 0.838 487 S HN 0.811 nan 8.310 nan 0.000 0.462 488 C N 2.176 121.466 119.300 -0.018 0.000 2.413 488 C HA -0.003 4.456 4.460 -0.001 0.000 0.277 488 C C 2.412 177.396 174.990 -0.011 0.000 1.265 488 C CA 0.576 59.575 59.018 -0.032 0.000 1.752 488 C CB -1.652 26.033 27.740 -0.093 0.000 1.998 488 C HN 0.559 nan 8.230 nan 0.000 0.489 489 L N 0.216 121.439 121.223 0.000 0.000 2.046 489 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 489 L C 3.049 179.921 176.870 0.003 0.000 1.077 489 L CA 1.694 56.545 54.840 0.019 0.000 0.747 489 L CB -0.892 41.205 42.059 0.063 0.000 0.896 489 L HN 0.329 nan 8.230 nan 0.000 0.432 490 R N 0.427 120.941 120.500 0.023 0.000 2.083 490 R HA -0.208 4.132 4.340 -0.001 0.000 0.237 490 R C 2.385 178.733 176.300 0.080 0.000 1.137 490 R CA 1.633 57.756 56.100 0.039 0.000 0.951 490 R CB -0.285 30.047 30.300 0.053 0.000 0.851 490 R HN 0.287 nan 8.270 nan 0.000 0.434 491 K N 1.041 121.491 120.400 0.083 0.000 2.032 491 K HA -0.152 4.167 4.320 -0.001 0.000 0.209 491 K C 1.802 178.537 176.600 0.226 0.000 1.048 491 K CA 1.424 57.795 56.287 0.140 0.000 0.927 491 K CB -0.059 32.490 32.500 0.081 0.000 0.712 491 K HN 0.144 nan 8.250 nan 0.000 0.441 492 L N -0.381 120.886 121.223 0.073 0.000 2.558 492 L HA 0.140 4.479 4.340 -0.001 0.000 0.225 492 L C 0.910 177.596 176.870 -0.308 0.000 1.128 492 L CA 0.424 55.280 54.840 0.027 0.000 0.868 492 L CB 0.205 42.278 42.059 0.024 0.000 1.006 492 L HN 0.612 nan 8.230 nan 0.000 0.454 493 G N 0.729 109.158 108.800 -0.618 0.000 2.212 493 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.255 493 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.255 493 G C -0.087 174.626 174.900 -0.311 0.000 1.062 493 G CA -0.041 44.497 45.100 -0.937 0.000 0.815 493 G HN 0.081 nan 8.290 nan 0.000 0.497 494 V N 0.740 120.582 119.914 -0.120 0.000 2.481 494 V HA 0.449 4.569 4.120 -0.001 0.000 0.286 494 V C -1.263 174.889 176.094 0.097 0.000 1.042 494 V CA -1.669 60.662 62.300 0.050 0.000 0.928 494 V CB 1.612 33.510 31.823 0.125 0.000 0.986 494 V HN 0.169 nan 8.190 nan 0.000 0.462 495 P HA 0.087 nan 4.420 nan 0.000 0.266 495 P C -2.434 174.946 177.300 0.132 0.000 1.193 495 P CA -0.629 62.469 63.100 -0.003 0.000 0.770 495 P CB -0.180 31.364 31.700 -0.260 0.000 0.836 496 P HA 0.009 nan 4.420 nan 0.000 0.269 496 P C 0.913 178.358 177.300 0.241 0.000 1.215 496 P CA 0.144 63.324 63.100 0.134 0.000 0.780 496 P CB 0.733 32.471 31.700 0.064 0.000 0.898 497 L N 1.522 122.912 121.223 0.279 0.000 2.129 497 L HA -0.240 4.100 4.340 -0.001 0.000 0.212 497 L C 2.863 179.908 176.870 0.293 0.000 1.087 497 L CA 1.860 56.903 54.840 0.339 0.000 0.757 497 L CB -0.830 41.338 42.059 0.183 0.000 0.896 497 L HN 0.496 nan 8.230 nan 0.000 0.434 498 R N -0.368 120.240 120.500 0.180 0.000 2.120 498 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 498 R C 1.975 178.350 176.300 0.125 0.000 1.123 498 R CA 1.471 57.658 56.100 0.145 0.000 0.975 498 R CB -1.018 29.331 30.300 0.081 0.000 0.866 498 R HN 0.187 nan 8.270 nan 0.000 0.446 499 V N 0.530 120.469 119.914 0.043 0.000 2.379 499 V HA -0.170 3.950 4.120 -0.001 0.000 0.245 499 V C 2.000 178.066 176.094 -0.047 0.000 1.044 499 V CA 1.709 63.960 62.300 -0.082 0.000 1.036 499 V CB -0.675 30.981 31.823 -0.279 0.000 0.664 499 V HN 0.356 nan 8.190 nan 0.000 0.453 500 W N 0.309 121.709 121.300 0.166 0.000 2.342 500 W HA -0.165 4.495 4.660 -0.001 0.000 0.297 500 W C 2.744 179.453 176.519 0.316 0.000 1.213 500 W CA 1.727 59.205 57.345 0.222 0.000 1.251 500 W CB -0.276 29.310 29.460 0.211 0.000 1.136 500 W HN 0.076 nan 8.180 nan 0.000 0.526 501 R N -0.241 120.580 120.500 0.536 0.000 2.081 501 R HA -0.244 4.095 4.340 -0.001 0.000 0.235 501 R C 2.084 178.523 176.300 0.232 0.000 1.131 501 R CA 2.175 58.570 56.100 0.491 0.000 0.960 501 R CB -0.782 29.773 30.300 0.423 0.000 0.856 501 R HN 0.250 nan 8.270 nan 0.000 0.436 502 H N 0.419 119.550 119.070 0.100 0.000 2.290 502 H HA -0.066 4.489 4.556 -0.001 0.000 0.298 502 H C 2.066 177.382 175.328 -0.020 0.000 1.087 502 H CA 2.405 58.459 56.048 0.010 0.000 1.291 502 H CB 0.021 29.770 29.762 -0.022 0.000 1.369 502 H HN 0.158 nan 8.280 nan 0.000 0.492 503 R N -0.183 120.316 120.500 -0.002 0.000 2.105 503 R HA -0.098 4.241 4.340 -0.001 0.000 0.239 503 R C 2.554 178.791 176.300 -0.106 0.000 1.135 503 R CA 1.010 57.067 56.100 -0.072 0.000 0.967 503 R CB -0.367 29.937 30.300 0.008 0.000 0.861 503 R HN 0.419 nan 8.270 nan 0.000 0.442 504 A N 1.299 124.105 122.820 -0.023 0.000 1.933 504 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 504 A C 2.064 179.400 177.584 -0.413 0.000 1.175 504 A CA 1.271 53.171 52.037 -0.228 0.000 0.628 504 A CB -0.342 18.578 19.000 -0.132 0.000 0.814 504 A HN 0.240 nan 8.150 nan 0.000 0.444 505 R N -0.574 119.737 120.500 -0.315 0.000 2.081 505 R HA -0.114 4.226 4.340 -0.001 0.000 0.235 505 R C 2.686 178.811 176.300 -0.293 0.000 1.131 505 R CA 1.578 57.499 56.100 -0.299 0.000 0.960 505 R CB -0.442 29.706 30.300 -0.253 0.000 0.856 505 R HN 0.587 nan 8.270 nan 0.000 0.436 506 S N 0.329 115.849 115.700 -0.300 0.000 2.345 506 S HA -0.105 4.365 4.470 -0.001 0.000 0.220 506 S C 2.090 176.544 174.600 -0.244 0.000 1.031 506 S CA 1.363 59.416 58.200 -0.245 0.000 0.996 506 S CB -0.222 62.842 63.200 -0.227 0.000 0.882 506 S HN 0.117 nan 8.310 nan 0.000 0.445 507 V N 2.767 122.497 119.914 -0.306 0.000 2.332 507 V HA -0.181 3.938 4.120 -0.001 0.000 0.248 507 V C 2.784 178.620 176.094 -0.430 0.000 1.055 507 V CA 2.345 64.430 62.300 -0.358 0.000 1.038 507 V CB -0.943 30.580 31.823 -0.501 0.000 0.651 507 V HN 0.537 nan 8.190 nan 0.000 0.450 508 R N 0.400 120.571 120.500 -0.549 0.000 2.080 508 R HA -0.187 4.152 4.340 -0.001 0.000 0.236 508 R C 2.313 178.498 176.300 -0.192 0.000 1.137 508 R CA 1.900 57.778 56.100 -0.369 0.000 0.943 508 R CB -0.542 29.572 30.300 -0.310 0.000 0.846 508 R HN 0.459 nan 8.270 nan 0.000 0.431 509 A N 1.021 123.732 122.820 -0.182 0.000 1.972 509 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 509 A C 2.192 179.721 177.584 -0.091 0.000 1.169 509 A CA 1.484 53.448 52.037 -0.121 0.000 0.635 509 A CB -0.425 18.503 19.000 -0.120 0.000 0.810 509 A HN 0.407 nan 8.150 nan 0.000 0.446 510 R N -0.633 119.805 120.500 -0.103 0.000 2.075 510 R HA 0.016 4.355 4.340 -0.001 0.000 0.232 510 R C 2.025 178.308 176.300 -0.029 0.000 1.126 510 R CA 1.337 57.400 56.100 -0.063 0.000 0.963 510 R CB -0.448 29.812 30.300 -0.066 0.000 0.858 510 R HN 0.495 nan 8.270 nan 0.000 0.435 511 L N 0.551 121.755 121.223 -0.031 0.000 2.027 511 L HA -0.167 4.173 4.340 -0.001 0.000 0.206 511 L C 2.346 179.226 176.870 0.017 0.000 1.074 511 L CA 1.183 56.038 54.840 0.025 0.000 0.745 511 L CB -0.454 41.633 42.059 0.047 0.000 0.898 511 L HN 0.199 nan 8.230 nan 0.000 0.433 512 L N -0.875 120.340 121.223 -0.012 0.000 2.079 512 L HA -0.227 4.113 4.340 -0.001 0.000 0.210 512 L C 2.683 179.549 176.870 -0.007 0.000 1.081 512 L CA 1.122 55.955 54.840 -0.012 0.000 0.752 512 L CB -0.601 41.437 42.059 -0.035 0.000 0.896 512 L HN 0.218 nan 8.230 nan 0.000 0.433 513 S N -0.824 114.868 115.700 -0.013 0.000 2.382 513 S HA -0.229 4.240 4.470 -0.001 0.000 0.228 513 S C 1.923 176.526 174.600 0.004 0.000 1.027 513 S CA 1.031 59.226 58.200 -0.009 0.000 0.991 513 S CB -0.173 63.017 63.200 -0.017 0.000 0.823 513 S HN 0.343 nan 8.310 nan 0.000 0.469 514 Q N 0.766 120.575 119.800 0.015 0.000 2.226 514 Q HA 0.152 4.492 4.340 -0.001 0.000 0.204 514 Q C 1.103 177.120 176.000 0.029 0.000 0.975 514 Q CA 0.845 56.665 55.803 0.028 0.000 0.866 514 Q CB -0.727 28.039 28.738 0.048 0.000 0.915 514 Q HN 0.573 nan 8.270 nan 0.000 0.440 515 G N -2.167 106.649 108.800 0.027 0.000 2.880 515 G HA2 0.091 4.051 3.960 -0.001 0.000 0.617 515 G HA3 0.091 4.051 3.960 -0.001 0.000 0.617 515 G C 0.534 175.456 174.900 0.037 0.000 1.493 515 G CA -0.150 44.966 45.100 0.026 0.000 0.916 515 G HN 1.009 nan 8.290 nan 0.000 0.553 516 G N 0.233 109.053 108.800 0.034 0.000 2.583 516 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.292 516 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.292 516 G C 1.384 176.313 174.900 0.048 0.000 1.203 516 G CA 1.375 46.498 45.100 0.038 0.000 0.987 516 G HN 1.633 nan 8.290 nan 0.000 0.554 517 R N 0.309 120.841 120.500 0.054 0.000 2.094 517 R HA -0.077 4.263 4.340 -0.001 0.000 0.239 517 R C 3.134 179.489 176.300 0.093 0.000 1.137 517 R CA 2.794 58.934 56.100 0.067 0.000 0.943 517 R CB -1.688 28.657 30.300 0.074 0.000 0.850 517 R HN 1.128 nan 8.270 nan 0.000 0.433 518 A N 1.323 124.207 122.820 0.105 0.000 1.972 518 A HA -0.037 4.283 4.320 -0.001 0.000 0.219 518 A C 2.440 180.084 177.584 0.101 0.000 1.169 518 A CA 1.856 53.974 52.037 0.135 0.000 0.635 518 A CB -0.549 18.525 19.000 0.123 0.000 0.810 518 A HN 0.388 nan 8.150 nan 0.000 0.446 519 A N -0.984 121.879 122.820 0.070 0.000 1.898 519 A HA -0.064 4.255 4.320 -0.001 0.000 0.216 519 A C 2.291 179.915 177.584 0.067 0.000 1.181 519 A CA 2.202 54.270 52.037 0.052 0.000 0.620 519 A CB -1.233 17.790 19.000 0.038 0.000 0.819 519 A HN 0.421 nan 8.150 nan 0.000 0.442 520 T N -0.598 114.005 114.554 0.083 0.000 2.720 520 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 520 T C 1.919 176.686 174.700 0.113 0.000 1.037 520 T CA 1.609 63.784 62.100 0.125 0.000 1.144 520 T CB -0.731 68.159 68.868 0.036 0.000 0.864 520 T HN 0.578 nan 8.240 nan 0.000 0.444 521 C N 1.313 120.645 119.300 0.054 0.000 2.413 521 C HA 0.005 4.465 4.460 -0.001 0.000 0.277 521 C C 3.144 178.128 174.990 -0.009 0.000 1.228 521 C CA 0.622 59.626 59.018 -0.024 0.000 1.731 521 C CB -1.550 26.193 27.740 0.005 0.000 2.042 521 C HN 0.734 nan 8.230 nan 0.000 0.468 522 G N 0.007 108.850 108.800 0.072 0.000 2.442 522 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.219 522 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.219 522 G C 1.650 176.586 174.900 0.059 0.000 1.141 522 G CA 1.246 46.423 45.100 0.128 0.000 0.763 522 G HN 0.664 nan 8.290 nan 0.000 0.554 523 K N -0.883 119.512 120.400 -0.008 0.000 2.031 523 K HA -0.048 4.272 4.320 -0.001 0.000 0.205 523 K C 2.203 178.636 176.600 -0.280 0.000 1.049 523 K CA 1.028 57.234 56.287 -0.134 0.000 0.939 523 K CB -0.232 32.178 32.500 -0.148 0.000 0.717 523 K HN 0.395 nan 8.250 nan 0.000 0.438 524 Y N 0.840 120.947 120.300 -0.321 0.000 2.262 524 Y HA 0.022 4.572 4.550 -0.001 0.000 0.295 524 Y C 2.048 177.612 175.900 -0.560 0.000 1.121 524 Y CA 0.698 58.423 58.100 -0.624 0.000 1.144 524 Y CB -0.139 37.634 38.460 -1.146 0.000 1.043 524 Y HN -0.067 nan 8.280 nan 0.000 0.528 525 L N -1.701 119.332 121.223 -0.318 0.000 2.201 525 L HA -0.144 4.196 4.340 -0.001 0.000 0.212 525 L C 0.674 177.215 176.870 -0.549 0.000 1.105 525 L CA 1.328 55.924 54.840 -0.407 0.000 0.775 525 L CB -0.343 41.274 42.059 -0.737 0.000 0.913 525 L HN 0.173 nan 8.230 nan 0.000 0.440 526 F N -1.742 118.139 119.950 -0.114 0.000 2.764 526 F HA 0.181 4.707 4.527 -0.001 0.000 0.310 526 F C 1.616 177.070 175.800 -0.577 0.000 1.124 526 F CA -0.356 57.363 58.000 -0.467 0.000 1.252 526 F CB -0.693 38.046 39.000 -0.435 0.000 1.010 526 F HN 0.001 nan 8.300 nan 0.000 0.518 527 N N 0.804 119.405 118.700 -0.165 0.000 2.443 527 N HA -0.162 4.577 4.740 -0.001 0.000 0.184 527 N C 1.753 177.230 175.510 -0.055 0.000 1.037 527 N CA 1.185 54.166 53.050 -0.115 0.000 0.896 527 N CB -0.014 38.430 38.487 -0.072 0.000 0.959 527 N HN 0.565 nan 8.380 nan 0.000 0.442 528 W N -0.411 120.932 121.300 0.072 0.000 2.678 528 W HA 0.235 4.895 4.660 -0.001 0.000 0.256 528 W C 1.421 178.000 176.519 0.100 0.000 1.280 528 W CA 0.402 57.799 57.345 0.087 0.000 1.345 528 W CB -0.535 28.986 29.460 0.101 0.000 1.118 528 W HN -0.024 nan 8.180 nan 0.000 0.629 529 A N 1.859 124.275 122.820 -0.673 0.000 1.970 529 A HA 0.102 4.421 4.320 -0.001 0.000 0.216 529 A C 1.301 178.762 177.584 -0.205 0.000 1.170 529 A CA 1.245 52.933 52.037 -0.581 0.000 0.645 529 A CB -1.023 17.444 19.000 -0.888 0.000 0.816 529 A HN 0.096 nan 8.150 nan 0.000 0.447 530 V N -1.252 118.558 119.914 -0.173 0.000 2.732 530 V HA 0.282 4.401 4.120 -0.001 0.000 0.297 530 V C 1.129 177.201 176.094 -0.037 0.000 1.060 530 V CA -0.172 62.070 62.300 -0.096 0.000 1.038 530 V CB 1.168 32.929 31.823 -0.102 0.000 1.003 530 V HN 0.619 nan 8.190 nan 0.000 0.481 531 K N 1.942 122.327 120.400 -0.025 0.000 2.057 531 K HA -0.031 4.289 4.320 -0.001 0.000 0.206 531 K C 0.661 177.252 176.600 -0.015 0.000 1.050 531 K CA 1.477 57.759 56.287 -0.007 0.000 0.935 531 K CB -0.485 32.011 32.500 -0.007 0.000 0.715 531 K HN 0.674 nan 8.250 nan 0.000 0.439 532 T N 2.597 117.135 114.554 -0.027 0.000 3.145 532 T HA 0.263 4.612 4.350 -0.001 0.000 0.348 532 T C -0.719 173.959 174.700 -0.037 0.000 1.299 532 T CA -0.753 61.330 62.100 -0.029 0.000 1.037 532 T CB 0.939 69.789 68.868 -0.031 0.000 1.122 532 T HN 0.051 nan 8.240 nan 0.000 0.600 533 K N 1.926 122.308 120.400 -0.030 0.000 2.344 533 K HA 0.332 4.652 4.320 -0.001 0.000 0.260 533 K C 0.300 176.869 176.600 -0.051 0.000 0.988 533 K CA -0.218 56.047 56.287 -0.035 0.000 0.909 533 K CB 0.153 32.648 32.500 -0.009 0.000 0.968 533 K HN 0.241 nan 8.250 nan 0.000 0.505 534 L N 1.051 122.228 121.223 -0.077 0.000 2.751 534 L HA 0.261 4.600 4.340 -0.001 0.000 0.241 534 L C 1.321 178.143 176.870 -0.080 0.000 1.146 534 L CA -0.107 54.678 54.840 -0.092 0.000 0.879 534 L CB 0.225 42.197 42.059 -0.146 0.000 1.687 534 L HN 0.585 nan 8.230 nan 0.000 0.527 535 K N -0.370 119.979 120.400 -0.086 0.000 2.098 535 K HA 0.247 4.567 4.320 -0.001 0.000 0.203 535 K C -0.387 176.176 176.600 -0.062 0.000 1.051 535 K CA 0.104 56.358 56.287 -0.054 0.000 0.957 535 K CB -0.395 32.085 32.500 -0.034 0.000 0.738 535 K HN 0.106 nan 8.250 nan 0.000 0.447 536 L N 2.378 123.507 121.223 -0.158 0.000 3.177 536 L HA -0.156 4.183 4.340 -0.001 0.000 0.640 536 L C -0.452 176.462 176.870 0.075 0.000 1.018 536 L CA 1.350 56.071 54.840 -0.199 0.000 1.288 536 L CB -2.195 39.778 42.059 -0.143 0.000 1.594 536 L HN 0.751 nan 8.230 nan 0.000 0.796 537 T N 1.548 116.199 114.554 0.161 0.000 2.950 537 T HA 0.884 5.234 4.350 -0.001 0.000 0.288 537 T C -2.416 172.433 174.700 0.247 0.000 1.035 537 T CA -2.284 59.923 62.100 0.177 0.000 1.028 537 T CB 2.025 70.959 68.868 0.109 0.000 1.109 537 T HN 0.249 nan 8.240 nan 0.000 0.514 538 P HA 0.168 nan 4.420 nan 0.000 0.264 538 P C -0.625 176.708 177.300 0.055 0.000 1.179 538 P CA 0.037 63.197 63.100 0.100 0.000 0.763 538 P CB 0.187 31.925 31.700 0.062 0.000 0.806 539 I N 5.442 126.000 120.570 -0.020 0.000 2.331 539 I HA 0.148 4.317 4.170 -0.001 0.000 0.292 539 I C -1.296 174.795 176.117 -0.043 0.000 0.998 539 I CA -2.115 59.139 61.300 -0.077 0.000 1.267 539 I CB 1.533 39.412 38.000 -0.202 0.000 1.386 539 I HN 0.313 nan 8.210 nan 0.000 0.476 540 P HA -0.227 nan 4.420 nan 0.000 0.214 540 P C 1.423 178.706 177.300 -0.029 0.000 1.163 540 P CA 1.324 64.413 63.100 -0.018 0.000 0.889 540 P CB 0.248 31.943 31.700 -0.009 0.000 0.790 541 A N -0.417 122.381 122.820 -0.036 0.000 2.070 541 A HA -0.082 4.237 4.320 -0.001 0.000 0.220 541 A C 2.245 179.798 177.584 -0.053 0.000 1.159 541 A CA 1.726 53.740 52.037 -0.039 0.000 0.656 541 A CB -1.506 17.473 19.000 -0.035 0.000 0.800 541 A HN 0.189 nan 8.150 nan 0.000 0.453 542 A N 0.790 123.573 122.820 -0.061 0.000 1.884 542 A HA -0.246 4.074 4.320 -0.001 0.000 0.219 542 A C 2.573 180.111 177.584 -0.077 0.000 1.197 542 A CA 2.857 54.851 52.037 -0.072 0.000 0.637 542 A CB -1.234 17.730 19.000 -0.060 0.000 0.827 542 A HN 1.119 nan 8.150 nan 0.000 0.450 543 S N -0.428 115.238 115.700 -0.058 0.000 2.368 543 S HA -0.273 4.197 4.470 -0.001 0.000 0.225 543 S C 1.884 176.447 174.600 -0.062 0.000 1.030 543 S CA 1.464 59.631 58.200 -0.056 0.000 0.999 543 S CB -0.747 62.430 63.200 -0.037 0.000 0.844 543 S HN 0.690 nan 8.310 nan 0.000 0.459 544 Q N 0.843 120.611 119.800 -0.053 0.000 2.308 544 Q HA 0.077 4.417 4.340 -0.001 0.000 0.209 544 Q C 0.212 176.173 176.000 -0.065 0.000 0.985 544 Q CA 0.502 56.276 55.803 -0.048 0.000 0.881 544 Q CB -0.635 28.082 28.738 -0.036 0.000 0.917 544 Q HN 0.580 nan 8.270 nan 0.000 0.443 545 L N 1.909 123.075 121.223 -0.094 0.000 2.455 545 L HA 0.016 4.356 4.340 -0.001 0.000 0.272 545 L C 0.414 177.190 176.870 -0.158 0.000 1.174 545 L CA -0.114 54.645 54.840 -0.137 0.000 0.869 545 L CB 0.294 42.234 42.059 -0.197 0.000 1.130 545 L HN 0.042 nan 8.230 nan 0.000 0.474 546 D N 5.452 125.763 120.400 -0.147 0.000 2.564 546 D HA 0.170 4.809 4.640 -0.001 0.000 0.226 546 D C 0.003 176.176 176.300 -0.212 0.000 1.149 546 D CA -0.263 53.659 54.000 -0.130 0.000 0.994 546 D CB 0.482 41.245 40.800 -0.062 0.000 1.029 546 D HN 0.413 nan 8.370 nan 0.000 0.517 547 L N 2.803 123.818 121.223 -0.347 0.000 2.990 547 L HA 0.099 4.438 4.340 -0.001 0.000 0.231 547 L C 1.928 178.668 176.870 -0.217 0.000 1.341 547 L CA -0.371 54.100 54.840 -0.615 0.000 1.208 547 L CB -0.030 41.502 42.059 -0.880 0.000 1.571 547 L HN 0.172 nan 8.230 nan 0.000 0.453 548 S N -0.309 115.360 115.700 -0.053 0.000 2.311 548 S HA -0.053 4.416 4.470 -0.001 0.000 0.209 548 S C 1.802 176.474 174.600 0.119 0.000 1.029 548 S CA 0.726 58.944 58.200 0.031 0.000 0.968 548 S CB -0.718 62.489 63.200 0.013 0.000 0.946 548 S HN 0.437 nan 8.310 nan 0.000 0.450 549 G N -0.591 108.283 108.800 0.124 0.000 3.186 549 G HA2 0.061 4.020 3.960 -0.001 0.000 0.214 549 G HA3 0.061 4.020 3.960 -0.001 0.000 0.214 549 G C 0.536 175.615 174.900 0.299 0.000 1.222 549 G CA -0.274 44.912 45.100 0.143 0.000 0.921 549 G HN 0.494 nan 8.290 nan 0.000 0.504 550 W N 0.104 121.357 121.300 -0.079 0.000 2.407 550 W HA 0.279 4.938 4.660 -0.001 0.000 0.305 550 W C 0.348 176.499 176.519 -0.615 0.000 1.196 550 W CA 0.419 57.510 57.345 -0.424 0.000 1.311 550 W CB -0.053 28.971 29.460 -0.725 0.000 1.135 550 W HN 0.110 nan 8.180 nan 0.000 0.514 551 F N -0.392 119.745 119.950 0.312 0.000 2.550 551 F HA 0.313 4.840 4.527 -0.001 0.000 0.348 551 F C 0.390 176.341 175.800 0.252 0.000 1.219 551 F CA -0.595 57.576 58.000 0.285 0.000 1.203 551 F CB 0.110 39.237 39.000 0.212 0.000 1.436 551 F HN -0.394 nan 8.300 nan 0.000 0.541 552 V N 0.003 120.146 119.914 0.381 0.000 3.058 552 V HA 0.651 4.770 4.120 -0.001 0.000 0.233 552 V C 0.753 177.005 176.094 0.263 0.000 1.255 552 V CA 0.517 62.979 62.300 0.270 0.000 1.267 552 V CB 0.488 32.446 31.823 0.226 0.000 1.049 552 V HN 0.454 nan 8.190 nan 0.000 0.486 553 A N -0.494 122.439 122.820 0.188 0.000 2.602 553 A HA 0.797 5.116 4.320 -0.001 0.000 0.290 553 A C -0.316 176.918 177.584 -0.583 0.000 1.114 553 A CA 0.073 52.081 52.037 -0.048 0.000 0.683 553 A CB 1.078 19.928 19.000 -0.250 0.000 1.281 553 A HN 0.437 nan 8.150 nan 0.000 0.416 554 G N -1.216 106.920 108.800 -1.108 0.000 2.367 554 G HA2 0.542 4.501 3.960 -0.001 0.000 0.314 554 G HA3 0.542 4.501 3.960 -0.001 0.000 0.314 554 G C -0.974 173.250 174.900 -1.127 0.000 1.130 554 G CA -0.073 43.986 45.100 -1.736 0.000 0.864 554 G HN 0.572 nan 8.290 nan 0.000 0.486 555 Y N 0.660 120.731 120.300 -0.382 0.000 2.712 555 Y HA 0.269 4.819 4.550 -0.001 0.000 0.250 555 Y C 1.156 176.968 175.900 -0.147 0.000 1.101 555 Y CA -0.855 57.126 58.100 -0.198 0.000 1.118 555 Y CB 0.383 38.753 38.460 -0.151 0.000 1.203 555 Y HN 0.377 nan 8.280 nan 0.000 0.587 556 S N 1.099 116.761 115.700 -0.063 0.000 2.546 556 S HA 0.286 4.756 4.470 -0.001 0.000 0.290 556 S C 1.338 175.951 174.600 0.022 0.000 1.262 556 S CA 1.164 59.359 58.200 -0.008 0.000 1.083 556 S CB 0.059 63.259 63.200 0.000 0.000 0.859 556 S HN 0.946 nan 8.310 nan 0.000 0.495 557 G N 3.143 111.955 108.800 0.021 0.000 2.168 557 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.263 557 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.263 557 G C 0.770 175.694 174.900 0.040 0.000 0.977 557 G CA 0.205 45.321 45.100 0.026 0.000 0.659 557 G HN 1.023 nan 8.290 nan 0.000 0.533 558 G N -0.141 108.690 108.800 0.051 0.000 2.985 558 G HA2 0.366 4.325 3.960 -0.001 0.000 0.209 558 G HA3 0.366 4.325 3.960 -0.001 0.000 0.209 558 G C 0.516 175.436 174.900 0.033 0.000 1.165 558 G CA 1.091 46.240 45.100 0.082 0.000 0.776 558 G HN 1.193 nan 8.290 nan 0.000 0.541 559 D N -0.387 120.002 120.400 -0.019 0.000 2.697 559 D HA -0.172 4.468 4.640 -0.001 0.000 0.235 559 D C -0.080 176.168 176.300 -0.087 0.000 1.167 559 D CA 0.391 54.359 54.000 -0.054 0.000 0.656 559 D CB -1.102 39.683 40.800 -0.026 0.000 1.025 559 D HN 0.103 nan 8.370 nan 0.000 0.419 560 I N 1.361 121.835 120.570 -0.159 0.000 2.441 560 I HA 0.368 4.537 4.170 -0.001 0.000 0.295 560 I C -0.129 175.768 176.117 -0.367 0.000 0.994 560 I CA -0.777 60.335 61.300 -0.312 0.000 1.144 560 I CB 1.343 38.999 38.000 -0.574 0.000 1.314 560 I HN 0.109 nan 8.210 nan 0.000 0.445 561 Y N 5.692 125.708 120.300 -0.474 0.000 2.391 561 Y HA 0.438 4.987 4.550 -0.001 0.000 0.341 561 Y C -0.845 174.823 175.900 -0.386 0.000 0.965 561 Y CA -0.607 57.226 58.100 -0.446 0.000 1.067 561 Y CB 1.281 39.589 38.460 -0.253 0.000 1.199 561 Y HN 0.531 nan 8.280 nan 0.000 0.450 562 H N 3.644 121.999 119.070 -1.191 0.000 2.786 562 H HA 0.252 4.807 4.556 -0.001 0.000 0.284 562 H C -0.400 174.365 175.328 -0.937 0.000 1.104 562 H CA -0.834 54.665 56.048 -0.916 0.000 1.339 562 H CB 1.279 30.505 29.762 -0.894 0.000 1.427 562 H HN 0.594 nan 8.280 nan 0.000 0.497 563 S N 3.621 118.950 115.700 -0.618 0.000 2.515 563 S HA 0.040 4.509 4.470 -0.001 0.000 0.285 563 S C 0.112 174.669 174.600 -0.072 0.000 1.265 563 S CA -0.551 57.464 58.200 -0.308 0.000 1.079 563 S CB -0.040 63.179 63.200 0.033 0.000 0.877 563 S HN 0.360 nan 8.310 nan 0.000 0.493 564 L N 0.000 121.237 121.223 0.023 0.000 2.949 564 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 564 L CA 0.000 54.921 54.840 0.135 0.000 0.813 564 L CB 0.000 42.220 42.059 0.268 0.000 0.961 564 L HN 0.000 nan 8.230 nan 0.000 0.502